fastatomstruct 0.7.4__cp313-none-win_amd64.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- fastatomstruct/__init__.py +323 -0
- fastatomstruct/__init__.pyi +2196 -0
- fastatomstruct/fastatomstruct.cp313-win_amd64.pyd +0 -0
- fastatomstruct-0.7.4.dist-info/METADATA +93 -0
- fastatomstruct-0.7.4.dist-info/RECORD +7 -0
- fastatomstruct-0.7.4.dist-info/WHEEL +4 -0
- fastatomstruct-0.7.4.dist-info/licenses/LICENSE +674 -0
|
@@ -0,0 +1,2196 @@
|
|
|
1
|
+
from typing import List, Optional, Tuple
|
|
2
|
+
|
|
3
|
+
from ase import Atoms
|
|
4
|
+
from numpy.typing import NDArray
|
|
5
|
+
|
|
6
|
+
|
|
7
|
+
def q_l_global(atoms: Atoms, l: int, r_cut: float, p_1: int, p_2: int, filter: Optional[fastatomstruct.Filter] = None) -> float:
|
|
8
|
+
"""Implementation of the global bond orientational parameter.
|
|
9
|
+
|
|
10
|
+
The global bond orientational parameter :math:`Q_l` (as first introduced
|
|
11
|
+
by Steinhardt *et al.*) is defined as
|
|
12
|
+
|
|
13
|
+
.. math::
|
|
14
|
+
|
|
15
|
+
Q_l = \sqrt{\frac{4\pi}{2l + 1}} \sum_{m = -l}^l \left|\frac{1}{N} \sum_i q_{lm}(i)\right|^2,
|
|
16
|
+
|
|
17
|
+
with :math:`q_{lm}(i)` the local average of spherical harmonics, which are in
|
|
18
|
+
turn defined as
|
|
19
|
+
|
|
20
|
+
.. math::
|
|
21
|
+
|
|
22
|
+
q_{lm}(i) = \frac{1}{N_i} \sum_j f(\vec{r}_{ij}) Y_{lm}(\hat{\vec{r}}_{ij}),
|
|
23
|
+
|
|
24
|
+
where :math:`\hat{r}_{ij}` denotes the normalized distance vector between
|
|
25
|
+
atoms :math:`i` and :math:`j`. :math:`r_\mathrm{cut}`, :math:`p_1` and :math:`p_2` are parameters
|
|
26
|
+
for the radial cutoff function :math:`f`, which is defined as
|
|
27
|
+
|
|
28
|
+
.. math::
|
|
29
|
+
|
|
30
|
+
f(r) = \frac{1 - (r / r_c)^{p_1}}{1 - (r / r_c)^{p_2}}.
|
|
31
|
+
|
|
32
|
+
For :math:`p_1 \rightarrow \infty` and :math:`p_2 \rightarrow \infty`, this function
|
|
33
|
+
becomes a sharp cutoff.
|
|
34
|
+
|
|
35
|
+
Arguments:
|
|
36
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
37
|
+
l (int): Angular momentum index
|
|
38
|
+
r_cut (float): Cutoff radius
|
|
39
|
+
p_1 (int): First exponent of the cutoff function
|
|
40
|
+
p_2 (int): Second exponent of the cutoff function
|
|
41
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
42
|
+
|
|
43
|
+
Returns:
|
|
44
|
+
float, value of :math:`Q_l`
|
|
45
|
+
|
|
46
|
+
Examples
|
|
47
|
+
--------
|
|
48
|
+
|
|
49
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
50
|
+
|
|
51
|
+
>>> import fastatomstruct as fs
|
|
52
|
+
>>> from ase import io
|
|
53
|
+
>>> atoms = io.read("Sb540.traj")
|
|
54
|
+
>>> fs.q_l_global(atoms, 4, 3.2, 48, 96)
|
|
55
|
+
15.470256244398556
|
|
56
|
+
"""
|
|
57
|
+
...
|
|
58
|
+
|
|
59
|
+
|
|
60
|
+
def q_l(atoms: Atoms, l: int, r_cut: float, p_1: int, p_2: int, filter: Optional[fastatomstruct.Filter] = None) -> NDArray:
|
|
61
|
+
"""Local bond orientational parameter.
|
|
62
|
+
|
|
63
|
+
The local bond orientational parameter is defined as
|
|
64
|
+
|
|
65
|
+
.. math::
|
|
66
|
+
|
|
67
|
+
q_l(i) = \sqrt{\frac{4\pi}{2l + 1} \sum_{m=-l}^l \left|q_{lm}\right|^2},
|
|
68
|
+
|
|
69
|
+
with :math:`q_{lm}(i)` the local average of spherical harmonics, which are in
|
|
70
|
+
turn defined as
|
|
71
|
+
|
|
72
|
+
.. math::
|
|
73
|
+
|
|
74
|
+
q_{lm}(i) = \frac{1}{N_i} \sum_j f(r_{ij}) Y_{lm}(\hat{\vec{r}}_{ij}),
|
|
75
|
+
|
|
76
|
+
where :math:`\hat{r}_{ij}` denotes the normalized distance vector between
|
|
77
|
+
atoms :math:`i` and :math:`j`. :math:`r_\mathrm{cut}`, :math:`p_1` and :math:`p_2` are parameters
|
|
78
|
+
for the radial cutoff function :math:`f`, which is defined as
|
|
79
|
+
|
|
80
|
+
.. math::
|
|
81
|
+
|
|
82
|
+
f(r) = \frac{1 - (r / r_c)^{p_1}}{1 - (r / r_c)^{p_2}}.
|
|
83
|
+
|
|
84
|
+
For :math:`p_1 \rightarrow \infty` and :math:`p_2 \rightarrow \infty`, this function
|
|
85
|
+
becomes a sharp cutoff.
|
|
86
|
+
|
|
87
|
+
Arguments:
|
|
88
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
89
|
+
l (int): Angular momentum index
|
|
90
|
+
r_cut (float): Cutoff radius
|
|
91
|
+
p_1 (int): First exponent of the cutoff function
|
|
92
|
+
p_2 (int): Second exponent of the cutoff function
|
|
93
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
94
|
+
|
|
95
|
+
Returns:
|
|
96
|
+
NDArray of floats, values of :math:`q_l`
|
|
97
|
+
|
|
98
|
+
Examples
|
|
99
|
+
--------
|
|
100
|
+
|
|
101
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
102
|
+
|
|
103
|
+
>>> import fastatomstruct as fs
|
|
104
|
+
>>> from ase import io
|
|
105
|
+
>>> atoms = io.read("Sb540.traj")
|
|
106
|
+
>>> fs.q_l(atoms, 4, 3.2, 48, 96)
|
|
107
|
+
array([0.03066405, 0.03077848, 0.03239637, 0.03255228, 0.03221065,
|
|
108
|
+
0.03088525, 0.0320593 , 0.03041014, 0.02809627, 0.0320796 ,
|
|
109
|
+
0.03061929, 0.0317437 , 0.03149879, 0.03133172, 0.03001349,
|
|
110
|
+
0.03287695, 0.03220788, 0.03214616, 0.02995588, 0.0314777 ,
|
|
111
|
+
0.03072696, 0.03285761, 0.03240999, 0.03223181, 0.03257093,
|
|
112
|
+
0.03330183, 0.03247856, 0.03291686, 0.03252548, 0.03264648,
|
|
113
|
+
0.0310145 , 0.03235084, 0.02920417, 0.03120152, 0.03217064,
|
|
114
|
+
0.03260268, 0.0318103 , 0.03170456, 0.03185368, 0.03282919,
|
|
115
|
+
0.03190343, 0.0321001 , 0.03207043, 0.03058873, 0.03000755,
|
|
116
|
+
0.03056225, 0.03347534, 0.03159053, 0.0282027 , 0.03249406,
|
|
117
|
+
0.03048561, 0.03232488, 0.03155685, 0.03294293, 0.03055524,
|
|
118
|
+
0.03242173, 0.0333785 , 0.0320526 , 0.03054413, 0.03175122,
|
|
119
|
+
0.03199091, 0.03207626, 0.03284527, 0.03223664, 0.0323601 ,
|
|
120
|
+
0.03075725, 0.03183552, 0.03236343, 0.03261055, 0.02926757,
|
|
121
|
+
0.02985864, 0.0319282 , 0.03202976, 0.03082561, 0.03271937,
|
|
122
|
+
0.03158466, 0.03189446, 0.03291091, 0.03301897, 0.03233473,
|
|
123
|
+
0.0307242 , 0.03157726, 0.03329316, 0.02992685, 0.03231233,
|
|
124
|
+
0.02922886, 0.03142811, 0.03095213, 0.03066173, 0.03209566,
|
|
125
|
+
0.0324924 , 0.03232818, 0.03153572, 0.03199383, 0.02873217,
|
|
126
|
+
0.02697654, 0.03250349, 0.03305962, 0.03209492, 0.03154451,
|
|
127
|
+
0.02753824, 0.02960509, 0.03167802, 0.03073506, 0.03111497,
|
|
128
|
+
0.03156074, 0.03170319, 0.03167071, 0.03067202, 0.03225529,
|
|
129
|
+
0.03145943, 0.02875677, 0.0322366 , 0.03122062, 0.03230477,
|
|
130
|
+
0.0309693 , 0.03227595, 0.03172356, 0.03181167, 0.0304437 ,
|
|
131
|
+
0.03305966, 0.03127027, 0.03109714, 0.03080434, 0.03198244,
|
|
132
|
+
0.03193362, 0.03184303, 0.02713633, 0.03179225, 0.03167141,
|
|
133
|
+
0.03095199, 0.0329414 , 0.03211338, 0.02671768, 0.03137277,
|
|
134
|
+
0.03234054, 0.03223452, 0.03166622, 0.03305815, 0.03197315,
|
|
135
|
+
0.03227503, 0.03174525, 0.03194392, 0.0323852 , 0.03070922,
|
|
136
|
+
0.03285023, 0.02658146, 0.03214794, 0.03266306, 0.03257127,
|
|
137
|
+
0.02970597, 0.03299539, 0.03187859, 0.03248672, 0.03248273,
|
|
138
|
+
0.03125455, 0.03127503, 0.03080308, 0.03198665, 0.03175511,
|
|
139
|
+
0.03224295, 0.03095405, 0.03263247, 0.03167989, 0.03194748,
|
|
140
|
+
0.03230611, 0.03187082, 0.03205136, 0.03233821, 0.03120753,
|
|
141
|
+
0.03280628, 0.03224879, 0.03416126, 0.03177875, 0.03098086,
|
|
142
|
+
0.03105586, 0.03365781, 0.03158097, 0.03011997, 0.03164216,
|
|
143
|
+
0.03151952, 0.03188848, 0.03201688, 0.02929834, 0.03167002,
|
|
144
|
+
0.03170435, 0.0316324 , 0.031591 , 0.03245158, 0.02926124,
|
|
145
|
+
0.03116223, 0.03183879, 0.03105355, 0.03160849, 0.03461491,
|
|
146
|
+
0.03096321, 0.03140959, 0.02974125, 0.0325996 , 0.03122526,
|
|
147
|
+
0.03139527, 0.03074977, 0.03258278, 0.03329818, 0.03208158,
|
|
148
|
+
0.03211836, 0.03128247, 0.03217344, 0.03215197, 0.03156444,
|
|
149
|
+
0.0319983 , 0.03037679, 0.03098777, 0.03216577, 0.03182811,
|
|
150
|
+
0.02860384, 0.03176324, 0.0317403 , 0.03135506, 0.03369258,
|
|
151
|
+
0.03273636, 0.02437022, 0.03055305, 0.0297607 , 0.03229257,
|
|
152
|
+
0.03096657, 0.0316618 , 0.03228087, 0.03272197, 0.03158444,
|
|
153
|
+
0.03199783, 0.03064851, 0.03216606, 0.03258162, 0.03151896,
|
|
154
|
+
0.03204917, 0.03154017, 0.0325791 , 0.03273132, 0.03260538,
|
|
155
|
+
0.02938942, 0.03230763, 0.03143792, 0.03101338, 0.03214409,
|
|
156
|
+
0.0314844 , 0.03059686, 0.0307613 , 0.03264335, 0.03292901,
|
|
157
|
+
0.02915667, 0.03236356, 0.0311953 , 0.03081446, 0.03243918,
|
|
158
|
+
0.03227337, 0.03281752, 0.03144328, 0.03215313, 0.03315175,
|
|
159
|
+
0.03012641, 0.0322154 , 0.02824831, 0.0319183 , 0.03146026,
|
|
160
|
+
0.03119672, 0.03245559, 0.03220978, 0.03209589, 0.03083016,
|
|
161
|
+
0.03243092, 0.03180317, 0.03099999, 0.03238761, 0.03014412,
|
|
162
|
+
0.03261338, 0.02524012, 0.03106275, 0.03234553, 0.03245146,
|
|
163
|
+
0.03191523, 0.03166196, 0.03224755, 0.03027243, 0.03268333,
|
|
164
|
+
0.02918048, 0.0293349 , 0.03036061, 0.03069006, 0.03273597,
|
|
165
|
+
0.0318668 , 0.03271231, 0.03175444, 0.03374568, 0.03199945,
|
|
166
|
+
0.03070458, 0.03247144, 0.02921717, 0.03222483, 0.02974489,
|
|
167
|
+
0.03227236, 0.03245493, 0.03099169, 0.0308125 , 0.03299066,
|
|
168
|
+
0.03370813, 0.03185129, 0.03201637, 0.03118289, 0.03259671,
|
|
169
|
+
0.03259001, 0.03123411, 0.03234885, 0.03208167, 0.03225207,
|
|
170
|
+
0.03182264, 0.03513544, 0.02732037, 0.03265918, 0.03192159,
|
|
171
|
+
0.03174079, 0.03025551, 0.03137922, 0.03091808, 0.03242879,
|
|
172
|
+
0.0277702 , 0.03037641, 0.0323894 , 0.03221323, 0.0318261 ,
|
|
173
|
+
0.03228694, 0.03146924, 0.03266115, 0.03224339, 0.03213946,
|
|
174
|
+
0.02755624, 0.03237154, 0.03257062, 0.03153718, 0.02985715,
|
|
175
|
+
0.02285653, 0.0293093 , 0.03199774, 0.03135969, 0.03256725,
|
|
176
|
+
0.03235009, 0.033446 , 0.02401419, 0.03098639, 0.03074289,
|
|
177
|
+
0.03090236, 0.03082822, 0.03277135, 0.03253281, 0.03182146,
|
|
178
|
+
0.03188528, 0.03182423, 0.0319413 , 0.03106253, 0.02968627,
|
|
179
|
+
0.0323163 , 0.03187316, 0.03128458, 0.03243256, 0.03064163,
|
|
180
|
+
0.03367722, 0.03135681, 0.03230078, 0.03241147, 0.03226453,
|
|
181
|
+
0.0320935 , 0.0278087 , 0.03041577, 0.030921 , 0.03267095,
|
|
182
|
+
0.03091002, 0.02973751, 0.03223354, 0.03208016, 0.03215956,
|
|
183
|
+
0.03160335, 0.03174945, 0.03232391, 0.03220363, 0.02806145,
|
|
184
|
+
0.03056179, 0.0302479 , 0.03341277, 0.03122013, 0.03191627,
|
|
185
|
+
0.03058342, 0.02888386, 0.0320222 , 0.03210752, 0.02881538,
|
|
186
|
+
0.030285 , 0.02849879, 0.03152319, 0.03201023, 0.03052745,
|
|
187
|
+
0.03164701, 0.03233717, 0.03075602, 0.03221944, 0.03145295,
|
|
188
|
+
0.03175731, 0.03125165, 0.03181228, 0.03184885, 0.02901128,
|
|
189
|
+
0.03215691, 0.02857147, 0.03173312, 0.03205166, 0.03155986,
|
|
190
|
+
0.0317861 , 0.03275808, 0.03055513, 0.03289854, 0.03085925,
|
|
191
|
+
0.03017929, 0.03385005, 0.03238612, 0.02788997, 0.03204204,
|
|
192
|
+
0.03120085, 0.03208455, 0.03269098, 0.03076184, 0.03145105,
|
|
193
|
+
0.03205821, 0.03218099, 0.03233821, 0.03190587, 0.03104696,
|
|
194
|
+
0.0314549 , 0.03211891, 0.03133587, 0.03126657, 0.03152677,
|
|
195
|
+
0.03151355, 0.0317432 , 0.03155641, 0.03139033, 0.03327719,
|
|
196
|
+
0.03145099, 0.03189376, 0.03193105, 0.03201754, 0.03084169,
|
|
197
|
+
0.03119499, 0.03242395, 0.03160912, 0.0329967 , 0.03033413,
|
|
198
|
+
0.03255113, 0.03007015, 0.03309998, 0.03174779, 0.03201106,
|
|
199
|
+
0.032312 , 0.03204305, 0.0315872 , 0.03040491, 0.02628055,
|
|
200
|
+
0.03183673, 0.03082321, 0.03005789, 0.02244099, 0.03209323,
|
|
201
|
+
0.03057224, 0.03258145, 0.03193024, 0.03082637, 0.03228409,
|
|
202
|
+
0.03172198, 0.03129977, 0.03264497, 0.03260552, 0.03131848,
|
|
203
|
+
0.03228375, 0.03194201, 0.03245168, 0.03099566, 0.03121766,
|
|
204
|
+
0.03250185, 0.03292308, 0.03259912, 0.03309885, 0.03146099,
|
|
205
|
+
0.03186152, 0.03242588, 0.02464734, 0.0321034 , 0.03225078,
|
|
206
|
+
0.03214629, 0.03190498, 0.03390153, 0.02958538, 0.0294802 ,
|
|
207
|
+
0.03302265, 0.03081354, 0.03278828, 0.03027757, 0.02529274,
|
|
208
|
+
0.03158341, 0.03130699, 0.03246764, 0.03244246, 0.03237262,
|
|
209
|
+
0.03083684, 0.02687324, 0.02912212, 0.03230346, 0.02907678,
|
|
210
|
+
0.03228925, 0.03185242, 0.03073456, 0.0320701 , 0.03206213,
|
|
211
|
+
0.03108895, 0.03250206, 0.0288546 , 0.03170712, 0.03162076,
|
|
212
|
+
0.03147254, 0.03025816, 0.03161468, 0.03271597, 0.03111142,
|
|
213
|
+
0.03082953, 0.0323657 , 0.02744053, 0.03186703, 0.02728237,
|
|
214
|
+
0.03242957, 0.03042029, 0.03080642, 0.02996402, 0.02997427])
|
|
215
|
+
"""
|
|
216
|
+
|
|
217
|
+
|
|
218
|
+
def qdot(atoms: Atoms, l: int, r_cut: float, p_1: int, p_2: int, filter: Optional[fastatomstruct.Filter] = None) -> NDArray:
|
|
219
|
+
"""Implementation of the Local bond order correlation parameter.
|
|
220
|
+
|
|
221
|
+
"Bond order correlation" here is a term for the correlation between
|
|
222
|
+
bond orientional parameters. It is defined as
|
|
223
|
+
|
|
224
|
+
.. math::
|
|
225
|
+
|
|
226
|
+
\dot{q}_l(i) = \frac{1}{N_i^\mathrm{eff}} \sum_{j} f(r_{ij}) C_{ij},
|
|
227
|
+
|
|
228
|
+
where :math:`N_i^\mathrm{eff}` is the effective coordination number
|
|
229
|
+
|
|
230
|
+
.. math::
|
|
231
|
+
|
|
232
|
+
N_i^\mathrm{eff} = \sum_j f(r_{ij}),
|
|
233
|
+
|
|
234
|
+
where
|
|
235
|
+
|
|
236
|
+
.. math::
|
|
237
|
+
|
|
238
|
+
C_{ij} \sum_{m = -l}^l \frac{q_{lm}(i) \, q_{lm}^*(j)}{\sqrt{\sum_m \left|q_{lm}(i)\right|^2} \, \sqrt{\sum_m \left|q_{lm}(j)\right|^2}}
|
|
239
|
+
|
|
240
|
+
are the bond order correlators, with :math:`q_{lm}(i)` the local average of
|
|
241
|
+
spherical harmonics, which are in turn defined as
|
|
242
|
+
|
|
243
|
+
.. math::
|
|
244
|
+
|
|
245
|
+
q_{lm}(i) = \frac{1}{N_i} \sum_j f(r_{ij}) Y_{lm}(\hat{\vec{r}}_{ij}),
|
|
246
|
+
|
|
247
|
+
where :math:`\hat{r}_{ij}` denotes the normalized distance vector between
|
|
248
|
+
atoms :math:`i` and :math:`j`. :math:`r_\mathrm{cut}`, :math:`p_1` and :math:`p_2` are parameters
|
|
249
|
+
for the radial cutoff function :math:`f`, which is defined as
|
|
250
|
+
|
|
251
|
+
.. math::
|
|
252
|
+
|
|
253
|
+
f(r) = \frac{1 - (r / r_c)^{p_1}}{1 - (r / r_c)^{p_2}}.
|
|
254
|
+
|
|
255
|
+
For :math:`p_1 \rightarrow \infty` and :math:`p_2 \rightarrow \infty`, this function
|
|
256
|
+
becomes a sharp cutoff.
|
|
257
|
+
|
|
258
|
+
Arguments:
|
|
259
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
260
|
+
l (int): Angular momentum index
|
|
261
|
+
r_cut (float): Cutoff radius
|
|
262
|
+
p_1 (int): First exponent of the cutoff function
|
|
263
|
+
p_2 (int): Second exponent of the cutoff function
|
|
264
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
265
|
+
|
|
266
|
+
Returns:
|
|
267
|
+
NDArray of floats, values of :math:`q_l`
|
|
268
|
+
|
|
269
|
+
Examples
|
|
270
|
+
--------
|
|
271
|
+
|
|
272
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
273
|
+
|
|
274
|
+
>>> import fastatomstruct as fs
|
|
275
|
+
>>> from ase import io
|
|
276
|
+
>>> atoms = io.read("Sb540.traj")
|
|
277
|
+
>>> fs.qdot(atoms, 4, 3.2, 48, 96)
|
|
278
|
+
array([0.93074931, 0.88040204, 0.94854139, 0.9500958 , 0.95666451,
|
|
279
|
+
0.93984924, 0.97383854, 0.94550999, 0.9620986 , 0.96789602,
|
|
280
|
+
0.91860531, 0.97485862, 0.89748376, 0.9183081 , 0.96353066,
|
|
281
|
+
0.85456477, 0.95899747, 0.83823261, 0.8157547 , 0.97120092,
|
|
282
|
+
0.96216483, 0.95710621, 0.95312623, 0.97450635, 0.96789501,
|
|
283
|
+
0.90517486, 0.96345246, 0.95920604, 0.96421362, 0.93846943,
|
|
284
|
+
0.96342169, 0.9481619 , 0.89453617, 0.96195208, 0.98005757,
|
|
285
|
+
0.96533463, 0.96346126, 0.92271432, 0.95840263, 0.96417697,
|
|
286
|
+
0.93875022, 0.96647939, 0.92858232, 0.90703077, 0.93772954,
|
|
287
|
+
0.88553929, 0.8511439 , 0.94615439, 0.93218294, 0.96407731,
|
|
288
|
+
0.95725358, 0.91707666, 0.97439081, 0.8617152 , 0.95777445,
|
|
289
|
+
0.97609547, 0.88656155, 0.94243366, 0.97629491, 0.96071184,
|
|
290
|
+
0.96671587, 0.9054203 , 0.9625537 , 0.9582114 , 0.96786281,
|
|
291
|
+
0.93600994, 0.96771239, 0.97898286, 0.95567905, 0.89188261,
|
|
292
|
+
0.96454509, 0.9552257 , 0.96080261, 0.92825584, 0.87489002,
|
|
293
|
+
0.95312328, 0.91222359, 0.96287196, 0.96252531, 0.96963602,
|
|
294
|
+
0.94881132, 0.85243743, 0.93150865, 0.89509333, 0.98046074,
|
|
295
|
+
0.93036275, 0.93695242, 0.86858084, 0.89824549, 0.97764027,
|
|
296
|
+
0.94979049, 0.96963166, 0.950274 , 0.97736454, 0.88075313,
|
|
297
|
+
0.84497102, 0.95867277, 0.95224872, 0.96819875, 0.93727963,
|
|
298
|
+
0.8747107 , 0.94823839, 0.9591061 , 0.97162712, 0.94863278,
|
|
299
|
+
0.96018852, 0.95692253, 0.97372862, 0.97418654, 0.91276668,
|
|
300
|
+
0.93934523, 0.94037201, 0.97051159, 0.93092624, 0.89585316,
|
|
301
|
+
0.93215658, 0.97361331, 0.96918797, 0.94318347, 0.92088637,
|
|
302
|
+
0.9726926 , 0.90812961, 0.87114374, 0.97041419, 0.97299673,
|
|
303
|
+
0.97372962, 0.96058264, 0.75252446, 0.93198139, 0.96520358,
|
|
304
|
+
0.96895434, 0.94079873, 0.97196352, 0.89265877, 0.91871339,
|
|
305
|
+
0.93910698, 0.94628447, 0.87562954, 0.92905645, 0.93155226,
|
|
306
|
+
0.98175263, 0.97663471, 0.90315028, 0.94118216, 0.96994061,
|
|
307
|
+
0.93643945, 0.80984377, 0.94098223, 0.94918481, 0.94366804,
|
|
308
|
+
0.92173119, 0.88336927, 0.98234253, 0.96083778, 0.97665125,
|
|
309
|
+
0.94240832, 0.96394718, 0.85690951, 0.96692701, 0.93130712,
|
|
310
|
+
0.94949769, 0.91969467, 0.9371281 , 0.93674363, 0.97784218,
|
|
311
|
+
0.98001784, 0.96557908, 0.93871116, 0.9538552 , 0.93988204,
|
|
312
|
+
0.92511209, 0.95485204, 0.91524044, 0.95883562, 0.90592291,
|
|
313
|
+
0.95640569, 0.94145079, 0.96150196, 0.93782448, 0.93724224,
|
|
314
|
+
0.94598515, 0.9665694 , 0.96770541, 0.93323636, 0.93096864,
|
|
315
|
+
0.97167064, 0.94512135, 0.95775302, 0.9616459 , 0.9319298 ,
|
|
316
|
+
0.9439924 , 0.95157784, 0.93066066, 0.91663836, 0.93498163,
|
|
317
|
+
0.93228979, 0.97245906, 0.87398993, 0.98054174, 0.94668625,
|
|
318
|
+
0.89952025, 0.89709806, 0.97004063, 0.8964992 , 0.94906029,
|
|
319
|
+
0.95398541, 0.93903863, 0.92103301, 0.96315409, 0.93187168,
|
|
320
|
+
0.88698255, 0.94801505, 0.97028004, 0.98258125, 0.97168283,
|
|
321
|
+
0.78861712, 0.77205075, 0.97448945, 0.96034923, 0.91468599,
|
|
322
|
+
0.97830254, 0.58827697, 0.95164027, 0.93385115, 0.94199682,
|
|
323
|
+
0.96634143, 0.96647825, 0.96301645, 0.9582172 , 0.97078051,
|
|
324
|
+
0.96698654, 0.92427308, 0.90473151, 0.97018893, 0.88231616,
|
|
325
|
+
0.97200627, 0.83428228, 0.95106254, 0.93409203, 0.96728004,
|
|
326
|
+
0.95917149, 0.95086963, 0.94823959, 0.97328187, 0.72896902,
|
|
327
|
+
0.95302877, 0.9472142 , 0.96525042, 0.93413294, 0.86474199,
|
|
328
|
+
0.84407571, 0.97337316, 0.84675967, 0.96749718, 0.9601057 ,
|
|
329
|
+
0.95189614, 0.96750414, 0.92986917, 0.89921394, 0.9067761 ,
|
|
330
|
+
0.93149323, 0.85113662, 0.92751559, 0.96996148, 0.98119623,
|
|
331
|
+
0.9495879 , 0.96671837, 0.97007107, 0.94221914, 0.97567362,
|
|
332
|
+
0.90048158, 0.96239035, 0.94155591, 0.94425775, 0.92533371,
|
|
333
|
+
0.96475551, 0.78984954, 0.97184291, 0.9683978 , 0.96704371,
|
|
334
|
+
0.96175792, 0.95957572, 0.96842922, 0.74778862, 0.97692837,
|
|
335
|
+
0.88488143, 0.95164203, 0.94166277, 0.96268317, 0.97801229,
|
|
336
|
+
0.95706433, 0.9801232 , 0.93525252, 0.88234671, 0.95991132,
|
|
337
|
+
0.93624803, 0.96176381, 0.94150445, 0.95495686, 0.93737267,
|
|
338
|
+
0.91878198, 0.97604118, 0.96930163, 0.98271019, 0.91014299,
|
|
339
|
+
0.88873706, 0.94148279, 0.96302934, 0.91942637, 0.97514819,
|
|
340
|
+
0.97445807, 0.93985034, 0.96998877, 0.96839372, 0.98530747,
|
|
341
|
+
0.93138532, 0.84336281, 0.63478894, 0.97468248, 0.95846076,
|
|
342
|
+
0.96842292, 0.92903967, 0.92792945, 0.93925132, 0.94233619,
|
|
343
|
+
0.92960406, 0.93211295, 0.95859677, 0.97291603, 0.9742509 ,
|
|
344
|
+
0.92302005, 0.93934516, 0.93333744, 0.87561887, 0.95149112,
|
|
345
|
+
0.84843858, 0.94710234, 0.9357063 , 0.95255014, 0.9431574 ,
|
|
346
|
+
0.78899784, 0.66249482, 0.91981328, 0.93299198, 0.95444028,
|
|
347
|
+
0.93949935, 0.96069485, 0.79645701, 0.93874778, 0.83253116,
|
|
348
|
+
0.97571996, 0.93632558, 0.94911459, 0.96836686, 0.952001 ,
|
|
349
|
+
0.92451612, 0.97547872, 0.95795743, 0.95698079, 0.87275851,
|
|
350
|
+
0.98030823, 0.91024846, 0.91389624, 0.95470211, 0.9121267 ,
|
|
351
|
+
0.88614014, 0.94265643, 0.92901972, 0.93654042, 0.98304611,
|
|
352
|
+
0.97190506, 0.89381592, 0.87459399, 0.89833589, 0.98078199,
|
|
353
|
+
0.97081768, 0.85289709, 0.97130687, 0.9475324 , 0.94724549,
|
|
354
|
+
0.9717687 , 0.97118356, 0.96366714, 0.96689857, 0.83028455,
|
|
355
|
+
0.90164448, 0.88336684, 0.94864971, 0.97032553, 0.95029164,
|
|
356
|
+
0.95829113, 0.90987303, 0.95597077, 0.96080899, 0.85719597,
|
|
357
|
+
0.91082379, 0.90375538, 0.95374528, 0.96900844, 0.83243418,
|
|
358
|
+
0.89003442, 0.95605234, 0.88264812, 0.95798632, 0.97363501,
|
|
359
|
+
0.95919538, 0.9598461 , 0.95535573, 0.95524033, 0.82842642,
|
|
360
|
+
0.96057804, 0.83824241, 0.96619588, 0.97816694, 0.95458391,
|
|
361
|
+
0.97079114, 0.97337539, 0.9588261 , 0.90937292, 0.95538196,
|
|
362
|
+
0.89272932, 0.88155291, 0.87503891, 0.85106442, 0.94483368,
|
|
363
|
+
0.95450254, 0.96527072, 0.96758765, 0.95888599, 0.97009959,
|
|
364
|
+
0.96321172, 0.94131346, 0.95086913, 0.93224719, 0.96442782,
|
|
365
|
+
0.85717644, 0.97394171, 0.92658201, 0.93579737, 0.92945626,
|
|
366
|
+
0.87386349, 0.95795114, 0.96692435, 0.84815052, 0.9626444 ,
|
|
367
|
+
0.92751976, 0.92444872, 0.89096114, 0.97065447, 0.90568462,
|
|
368
|
+
0.95324605, 0.96459908, 0.97391712, 0.96385259, 0.94247746,
|
|
369
|
+
0.96371208, 0.9086509 , 0.9410501 , 0.97445504, 0.96157802,
|
|
370
|
+
0.90297722, 0.93804726, 0.97282922, 0.91694484, 0.82359582,
|
|
371
|
+
0.94755344, 0.78666694, 0.95064405, 0.8212462 , 0.9668883 ,
|
|
372
|
+
0.92155746, 0.98428667, 0.97496754, 0.91339764, 0.93314438,
|
|
373
|
+
0.95154859, 0.94162004, 0.94489567, 0.94162457, 0.97105046,
|
|
374
|
+
0.98148459, 0.94939038, 0.94387293, 0.93131337, 0.90570642,
|
|
375
|
+
0.98398807, 0.97961887, 0.91615038, 0.61668456, 0.95258801,
|
|
376
|
+
0.96916922, 0.97275159, 0.71477787, 0.93162664, 0.97846348,
|
|
377
|
+
0.97471202, 0.95927884, 0.88267176, 0.92251993, 0.9235943 ,
|
|
378
|
+
0.92665766, 0.90614527, 0.89316531, 0.95342934, 0.78994957,
|
|
379
|
+
0.92662498, 0.93568074, 0.92384578, 0.96688795, 0.91501176,
|
|
380
|
+
0.93913094, 0.71438013, 0.9563588 , 0.9543706 , 0.82772155,
|
|
381
|
+
0.95710159, 0.91739189, 0.85809953, 0.97289239, 0.97380738,
|
|
382
|
+
0.93593489, 0.97870654, 0.86888224, 0.98081876, 0.96911051,
|
|
383
|
+
0.94622051, 0.86112157, 0.976464 , 0.89012292, 0.93765565,
|
|
384
|
+
0.96879067, 0.95066715, 0.78451946, 0.96498826, 0.75011839,
|
|
385
|
+
0.90396105, 0.89631392, 0.96508114, 0.95514805, 0.92246258])
|
|
386
|
+
"""
|
|
387
|
+
...
|
|
388
|
+
|
|
389
|
+
|
|
390
|
+
def q_tetrahedral(atoms: Atoms, r_cut: float, n_neighbours: int, filter: Optional[fastatomstruct.Filter] = None) -> NDArray:
|
|
391
|
+
"""Tetrahedral order parameter.
|
|
392
|
+
|
|
393
|
+
The tetrahedral order parameter is defined as
|
|
394
|
+
|
|
395
|
+
.. math::
|
|
396
|
+
|
|
397
|
+
q = 1 - \frac{3}{8} \sum_{i > k} \left(\frac{1}{3} + \theta_{ijk}\right)^2,
|
|
398
|
+
|
|
399
|
+
where the sum runs over all pairs of atoms bonded to a central atom :math:`j` and
|
|
400
|
+
forming a bond angle :math:`\theta_{ijk}`. The parameter is calculated
|
|
401
|
+
for a fixed number of nearest neighbours.
|
|
402
|
+
|
|
403
|
+
Arguments:
|
|
404
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
405
|
+
r_cut (float): Cutoff radius
|
|
406
|
+
n_neighbours (int): Number of nearest neighbours
|
|
407
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
408
|
+
|
|
409
|
+
Examples
|
|
410
|
+
--------
|
|
411
|
+
|
|
412
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
413
|
+
|
|
414
|
+
>>> import fastatomstruct as fs
|
|
415
|
+
>>> from ase import io
|
|
416
|
+
>>> atoms = io.read("Sb540.traj")
|
|
417
|
+
>>> fs.q_tetrahedral(atoms, 3.2, 4)
|
|
418
|
+
array([0.75314876, nan, 0.61997984, nan, 0.64238884,
|
|
419
|
+
0.6789242 , nan, nan, nan, 0.61900927,
|
|
420
|
+
nan, nan, nan, nan, 0.7633785 ,
|
|
421
|
+
nan, nan, nan, nan, nan,
|
|
422
|
+
nan, nan, nan, 0.65320697, 0.66741293,
|
|
423
|
+
nan, nan, nan, nan, 0.65822003,
|
|
424
|
+
0.72327292, 0.69133763, nan, 0.71341097, nan,
|
|
425
|
+
nan, nan, nan, nan, 0.69707237,
|
|
426
|
+
0.72445889, 0.68332159, nan, nan, nan,
|
|
427
|
+
0.6805243 , nan, nan, 0.80949055, 0.62028419,
|
|
428
|
+
nan, nan, nan, nan, nan,
|
|
429
|
+
nan, 0.49616694, 0.6732165 , nan, nan,
|
|
430
|
+
0.72079846, nan, 0.62577129, 0.63839512, nan,
|
|
431
|
+
nan, 0.73058656, 0.61658821, nan, nan,
|
|
432
|
+
0.70801976, nan, 0.64658967, nan, 0.68865111,
|
|
433
|
+
0.69431552, nan, nan, 0.65366387, nan,
|
|
434
|
+
0.67493455, 0.5286997 , 0.59856394, 0.76045954, 0.68055592,
|
|
435
|
+
nan, nan, nan, 0.73822487, nan,
|
|
436
|
+
nan, nan, 0.67110814, 0.66277585, nan,
|
|
437
|
+
0.76509463, 0.67166402, nan, 0.66001629, 0.71265648,
|
|
438
|
+
0.69119043, 0.66380563, 0.7155508 , nan, nan,
|
|
439
|
+
nan, nan, nan, 0.71494996, 0.69158548,
|
|
440
|
+
nan, 0.63157592, nan, nan, nan,
|
|
441
|
+
0.70413764, 0.6652314 , nan, nan, nan,
|
|
442
|
+
0.64845741, nan, 0.63545845, nan, nan,
|
|
443
|
+
0.71347701, 0.70888986, nan, nan, nan,
|
|
444
|
+
nan, nan, 0.64556679, nan, nan,
|
|
445
|
+
nan, nan, nan, 0.65685347, 0.65867979,
|
|
446
|
+
0.62592987, 0.71380732, 0.64597048, 0.6613329 , nan,
|
|
447
|
+
nan, nan, 0.62652205, nan, 0.60211913,
|
|
448
|
+
nan, nan, nan, nan, nan,
|
|
449
|
+
nan, 0.68617278, 0.56460962, nan, nan,
|
|
450
|
+
0.58122629, nan, nan, nan, 0.72124883,
|
|
451
|
+
nan, nan, nan, nan, nan,
|
|
452
|
+
0.62691218, 0.69155699, nan, 0.6631233 , nan,
|
|
453
|
+
nan, nan, 0.61096032, nan, nan,
|
|
454
|
+
nan, nan, nan, 0.78059314, 0.70211886,
|
|
455
|
+
0.69505764, nan, nan, nan, 0.70609159,
|
|
456
|
+
nan, 0.62853116, nan, 0.6548643 , nan,
|
|
457
|
+
nan, 0.68295401, 0.76151119, 0.6710223 , 0.71904714,
|
|
458
|
+
nan, nan, 0.6128829 , nan, nan,
|
|
459
|
+
nan, nan, nan, nan, 0.70230306,
|
|
460
|
+
nan, 0.7275413 , 0.71799258, nan, nan,
|
|
461
|
+
nan, nan, 0.70723123, nan, nan,
|
|
462
|
+
0.67125496, nan, 0.67210687, nan, 0.68133094,
|
|
463
|
+
0.66567756, nan, 0.59758164, nan, 0.70122185,
|
|
464
|
+
0.69701188, nan, nan, nan, 0.66272183,
|
|
465
|
+
0.698581 , 0.65518162, nan, nan, 0.64675271,
|
|
466
|
+
0.75312219, 0.69519417, nan, 0.70959679, nan,
|
|
467
|
+
nan, nan, nan, 0.63672152, nan,
|
|
468
|
+
nan, 0.68971829, nan, nan, nan,
|
|
469
|
+
0.64517471, 0.64972213, nan, nan, nan,
|
|
470
|
+
nan, nan, nan, nan, nan,
|
|
471
|
+
0.74871899, nan, 0.6135499 , nan, nan,
|
|
472
|
+
0.66285797, nan, nan, 0.6464939 , nan,
|
|
473
|
+
nan, 0.76312992, nan, nan, nan,
|
|
474
|
+
0.7034656 , 0.74290639, nan, nan, nan,
|
|
475
|
+
0.59646751, 0.75610767, nan, nan, 0.66683183,
|
|
476
|
+
nan, nan, nan, nan, nan,
|
|
477
|
+
0.61768964, nan, nan, 0.69997568, 0.69998832,
|
|
478
|
+
nan, nan, 0.69670876, nan, nan,
|
|
479
|
+
0.63381717, nan, 0.68015466, nan, nan,
|
|
480
|
+
nan, nan, nan, 0.68235795, nan,
|
|
481
|
+
nan, nan, 0.45549028, 0.63433507, nan,
|
|
482
|
+
0.71707856, nan, 0.71938086, nan, 0.61893993,
|
|
483
|
+
0.66629521, nan, nan, nan, nan,
|
|
484
|
+
nan, nan, 0.62082321, nan, 0.70745124,
|
|
485
|
+
0.6604696 , 0.66493729, nan, nan, nan,
|
|
486
|
+
0.86980182, nan, nan, nan, nan,
|
|
487
|
+
nan, nan, 0.81697697, nan, 0.69363947,
|
|
488
|
+
0.72206935, nan, 0.63839984, nan, 0.5789441 ,
|
|
489
|
+
nan, 0.72598572, nan, 0.74851452, 0.73875735,
|
|
490
|
+
nan, nan, 0.73151063, nan, 0.63500589,
|
|
491
|
+
nan, 0.68006004, nan, 0.69396847, nan,
|
|
492
|
+
0.68877588, nan, nan, nan, 0.62947143,
|
|
493
|
+
0.70881352, nan, 0.69267411, nan, 0.65719532,
|
|
494
|
+
nan, 0.69409817, 0.65873937, nan, nan,
|
|
495
|
+
nan, 0.70932557, nan, 0.70317808, 0.67691817,
|
|
496
|
+
nan, 0.56344672, 0.72865813, nan, 0.64712833,
|
|
497
|
+
nan, 0.68457114, nan, 0.67637263, nan,
|
|
498
|
+
0.6010237 , 0.67009225, nan, nan, 0.73356464,
|
|
499
|
+
0.70128704, 0.71292779, nan, nan, 0.6533144 ,
|
|
500
|
+
0.60545014, nan, nan, nan, 0.7334633 ,
|
|
501
|
+
0.66123734, nan, nan, nan, nan,
|
|
502
|
+
nan, nan, nan, 0.60373193, nan,
|
|
503
|
+
0.6754361 , 0.55106031, nan, nan, nan,
|
|
504
|
+
nan, nan, nan, nan, 0.74686557,
|
|
505
|
+
0.72049668, nan, 0.69844306, nan, 0.63763053,
|
|
506
|
+
0.73063015, 0.56731768, nan, nan, nan,
|
|
507
|
+
nan, nan, nan, 0.68895463, nan,
|
|
508
|
+
nan, nan, 0.68260716, nan, nan,
|
|
509
|
+
0.67232506, 0.75558901, 0.63782509, 0.66712424, 0.69027139,
|
|
510
|
+
0.61709895, 0.60198663, nan, nan, 0.62541504,
|
|
511
|
+
0.73110942, nan, nan, 0.78461065, 0.67674399,
|
|
512
|
+
nan, nan, nan, nan, nan,
|
|
513
|
+
0.73605266, 0.74101595, nan, 0.66931541, 0.69590138,
|
|
514
|
+
0.6513575 , 0.6958255 , 0.5841596 , nan, nan,
|
|
515
|
+
nan, nan, 0.60461152, nan, nan,
|
|
516
|
+
0.69444851, nan, 0.83908583, 0.62186386, nan,
|
|
517
|
+
nan, 0.72771316, nan, 0.76388783, nan,
|
|
518
|
+
0.65433934, nan, nan, 0.71960111, 0.8380811 ,
|
|
519
|
+
0.70347446, nan, nan, nan, nan,
|
|
520
|
+
nan, nan, nan, nan, nan,
|
|
521
|
+
nan, nan, nan, 0.62693729, 0.68916236,
|
|
522
|
+
nan, nan, nan, nan, 0.66696749,
|
|
523
|
+
0.70181677, nan, nan, nan, nan,
|
|
524
|
+
0.68279653, nan, 0.4026759 , nan, 0.77371227,
|
|
525
|
+
0.6804065 , 0.6404297 , 0.69180815, 0.80101402, nan])
|
|
526
|
+
"""
|
|
527
|
+
...
|
|
528
|
+
|
|
529
|
+
|
|
530
|
+
def bond_length_ratio(atoms: Atoms, r_min: float, r_max: float,
|
|
531
|
+
cutoff_angle: float, filter: Optional[fastatomstruct.Filter] = None) -> NDArray:
|
|
532
|
+
"""Angular limited bond length ratio.
|
|
533
|
+
|
|
534
|
+
The angular limited bond length ratio is defined as
|
|
535
|
+
|
|
536
|
+
.. math::
|
|
537
|
+
|
|
538
|
+
\mathrm{BLR} = \frac{\sum_{i_1, i_2, i_3} \frac{\mathrm{max}(r_{i_1, i_2}, r_{i_2, i_3})}{\mathrm{min}(r_{i_1, i_2}, r_{i_2, i_3})} \Theta(\beta - \delta) \Theta(r_{i_1, i_2} - r_\mathrm{min}) \Theta(r_{i_2, i_3} - r_\mathrm{min}) \Theta(r_\mathrm{max} - r_{i_1, i_2}) \Theta(r_\mathrm{max} - r_{i_2, i_3})}{\sum_{i_1, i_2, i_3} \Theta(\beta - \delta) \Theta(r_{i_1, i_2} - r_\mathrm{min}) \Theta(r_{i_2, i_3} - r_\mathrm{min}) \Theta(r_\mathrm{max} - r_{i_1, i_2}) \Theta(r_\mathrm{max} - r_{i_2, i_3})},
|
|
539
|
+
|
|
540
|
+
with :math:`i_1`, :math:`i_2` and :math:`i_3` distinct indices of atoms, and
|
|
541
|
+
|
|
542
|
+
.. math::
|
|
543
|
+
|
|
544
|
+
\cos\beta = \frac{\vec{r}_{i_1 i_2} \cdot \vec{r}_{i_2 i_3}}{r_{i_1 i_2} r_{i_2 i_3}}
|
|
545
|
+
|
|
546
|
+
the alignment angle and :math:`\delta` and angular threshold (typically 25° in
|
|
547
|
+
phase-change materials).
|
|
548
|
+
|
|
549
|
+
Arguments:
|
|
550
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
551
|
+
r_min (float): Minimum radius to consider
|
|
552
|
+
r_max (float): Maximum radius to consider
|
|
553
|
+
cutoff_angle (float): Cutoff angle :math:`\delta` in degrees.
|
|
554
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
555
|
+
|
|
556
|
+
Examples
|
|
557
|
+
--------
|
|
558
|
+
|
|
559
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
560
|
+
|
|
561
|
+
>>> import fastatomstruct as fs
|
|
562
|
+
>>> from ase import io
|
|
563
|
+
>>> atoms = io.read("Sb540.traj")
|
|
564
|
+
>>> fs.bond_length_ratio(atoms, 2.5, 4, 25)
|
|
565
|
+
1.1065865743550205
|
|
566
|
+
"""
|
|
567
|
+
...
|
|
568
|
+
|
|
569
|
+
|
|
570
|
+
def bond_length_ratio_list(atoms: Atoms, r_min: float, r_max: float,
|
|
571
|
+
cutoff_angle: float, filter: Optional[fastatomstruct.Filter] = None) -> NDArray:
|
|
572
|
+
"""(Angular limited) bond length ratio for each set of atoms.
|
|
573
|
+
|
|
574
|
+
The angular limited bond length ratio for a triplet of atoms
|
|
575
|
+
:math:`i_1`, :math:`i_2`, and :math:`i_3` is defined as
|
|
576
|
+
|
|
577
|
+
.. math::
|
|
578
|
+
|
|
579
|
+
\mathrm{BLR}(i_1, i_2, i_3) = \frac{\mathrm{max}(r_{i_1, i_2}, r_{i_2, i_3})}{\mathrm{min}(r_{i_1, i_2}, r_{i_2, i_3})} \Theta(\beta - \delta) \Theta(r_{i_1, i_2} - r_\mathrm{min}) \Theta(r_{i_2, i_3} - r_\mathrm{min}) \Theta(r_\mathrm{max} - r_{i_1, i_2}) \Theta(r_\mathrm{max} - r_{i_2, i_3}),
|
|
580
|
+
|
|
581
|
+
with :math:`i_1`, :math:`i_2` and :math:`i_3` distinct indices of atoms, and
|
|
582
|
+
|
|
583
|
+
.. math::
|
|
584
|
+
|
|
585
|
+
\cos\beta = \frac{\vec{r}_{i_1 i_2} \cdot \vec{r}_{i_2 i_3}}{r_{i_1 i_2} r_{i_2 i_3}}
|
|
586
|
+
|
|
587
|
+
the alignment angle and :math:`\delta` and angular threshold (typically 25° in
|
|
588
|
+
phase-change materials).
|
|
589
|
+
|
|
590
|
+
Arguments:
|
|
591
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
592
|
+
r_min (float): Minimum radius to consider
|
|
593
|
+
r_max (float): Maximum radius to consider
|
|
594
|
+
cutoff_angle (float): Cutoff angle :math:`\delta` in degrees.
|
|
595
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
596
|
+
|
|
597
|
+
Returns:
|
|
598
|
+
For each atom :math:`i_2`, a list of tuples
|
|
599
|
+
:math:`(i_1, i_3, r_{i_1, i_2}, r_{i_2, i_3}, \frac{\mathrm{max}(r_{i_1, i_2}, r_{i_2, i_3})}{\mathrm{min}(r_{i_1, i_2}, r_{i_2, i_3})})`
|
|
600
|
+
is returned (under the restrictions described above).
|
|
601
|
+
|
|
602
|
+
Examples
|
|
603
|
+
--------
|
|
604
|
+
|
|
605
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
606
|
+
|
|
607
|
+
>>> import fastatomstruct as fs
|
|
608
|
+
>>> from ase import io
|
|
609
|
+
>>> atoms = io.read("Sb540.traj")
|
|
610
|
+
>>> fs.bond_length_ratio_list(atoms, 2.5, 4, 25)
|
|
611
|
+
[[(2, 251, 2.9182822534253523, 3.2642249277049435, 1.1185432539548013), (99, 87, 3.473728477611225, 2.9892034529681553, 1.162091685048054), (206, 364, 2.8675345151801683, 3.1418041578635356, 1.0956465009336198), (282, 89, 3.4439717143736956, 3.021147524496202, 1.1399548305566451), (338, 528, 3.102057576273999, 3.5687633935730907, 1.150450404553635), (443, 127, 3.035237755535734, 2.9442968584178857, 1.030887135873492)], [(10, 25, 3.3798045197911324, 3.218576284688825, 1.0500930289797046), (26, 239, 3.3279022062705366, 2.9063389361475354, 1.1450495896675423), (63, 278, 3.1304544745456697, 3.140447605846574, 1.0031922301960179), (94, 117, 2.998646400333901, 3.238029520920562, 1.0798303929933204), (138, 315, 2.9766155957930542, 3.5591587845414234, 1.1957065566584062), (149, 345, 3.2551179306418545, 2.9831983446226693, 1.091150354286476)], [(0, 282, 2.9182822534253523, 3.4439717143736956, 1.180136606159775), (251, 307, 3.2642249277049435, 3.1347144034757415, 1.0413149357675462), (332, 392, 3.185476740560508, 3.0499540147004445, 1.0444343505531095), (441, 39, 3.2378763170187073, 3.150029713250805, 1.027887547662922), (459, 143, 3.116380488876878, 3.0126371025145566, 1.0344360713992833), (495, 419, 3.1075904045375635, 3.293156185452739, 1.059713719235399)], [(219, 198, 3.0698019639035174, 3.3708741864174394, 1.098075454395463), (225, 331, 3.0629574486549846, 3.2575635316482447, 1.063535353087819), (257, 249, 3.089247696773982, 3.249167962016847, 1.0517667344738544), (369, 444, 3.4965535415377267, 2.927071438464555, 1.1945569539539163), (383, 316, 2.985689929339029, 3.5865210815797957, 1.2012369557657911), (389, 518, 3.1549015481471754, 2.9808921548419507, 1.0583749375241824)], [(20, 461, 3.1196711017730467, 2.9941942547357097, 1.0419067155842943), (113, 161, 3.1959164504516417, 3.34798364041703, 1.0475817163317578), (325, 100, 3.0235980412432073, 2.9908183859185455, 1.0109600955641425), (445, 466, 3.4527904914873053, 2.945113631390019, 1.1723793794189448), (533, 521, 2.8972093637887455, 3.435732804060332, 1.185876604915893)], [(109, 337, 3.3645028736306775, 3.098682299497014, 1.0857850364901274), (234, 403, 3.1747895988805253, 3.3977882959836343, 1.070240464811193), (373, 436, 3.7158129231622987, 2.886802082855901, 1.2871727318023343), (383, 330, 2.8348379712712966, 3.5939184854393775, 1.267768571558842), (389, 144, 3.085719004967335, 3.480052570340591, 1.1277930896295043), (536, 232, 2.9237407698223867, 3.230791796494345, 1.1050199216843055)], [(64, 257, 2.9845562292124654, 3.394637143330579, 1.1374009677232053), (122, 17, 3.0903527402931243, 2.9503508957347497, 1.0474526080137694), (198, 312, 3.045622388587091, 3.1940000634227967, 1.0487183425600377), (254, 490, 3.259401316558566, 3.137866884388211, 1.0387315449151218), (360, 328, 3.0230843061052886, 3.0098183851171116, 1.0044075486593391), (453, 294, 3.1867427394594463, 2.9972587553559586, 1.0632190943691093)], [(91, 279, 2.7473184058764906, 3.42296143213926, 1.2459281839402285), (106, 476, 2.986028732316778, 3.3444066323344708, 1.120018235638221), (281, 130, 3.6086358701979115, 2.8916348192678414, 1.247956984800596), (319, 19, 3.2937563409351998, 3.0745729576743233, 1.0712890493340812), (390, 477, 3.2434027105192733, 3.12461261058374, 1.0380175448096078)], [(36, 193, 2.9051824962686053, 3.150530354474014, 1.084451788664062), (165, 354, 3.5671471053931905, 3.138441254092852, 1.1365983354766516), (345, 538, 3.1725789213690248, 3.5269870427718897, 1.11170978884583), (388, 116, 3.1855174717881694, 3.065655673803655, 1.0390982584928719), (415, 392, 3.2284944458546883, 3.1023432693563335, 1.0406631908675046), (486, 26, 3.639768024261627, 3.003139989722938, 1.2119874653586904)], [(124, 164, 2.8847318362692635, 3.41114167505157, 1.1824813773550253), (144, 257, 3.1882368714976415, 3.1954917788659447, 1.0022755233254972), (240, 427, 3.4029994978804954, 2.809290099124834, 1.2113378746255565), (417, 30, 3.0623682304285205, 3.7138078303502016, 1.2127241242411022), (470, 119, 3.234958914758185, 3.07554276082464, 1.0518335026793126), (518, 373, 3.160926302000579, 3.247165256651446, 1.0272828109267482)], [(1, 138, 3.3798045197911324, 2.9766155957930542, 1.1354521304557827), (25, 503, 3.218576284688825, 3.4057142421753928, 1.0581430859280256), (134, 197, 3.5651044108211516, 2.8531216415113043, 1.2495451855087079), (199, 162, 2.9278889446082474, 3.1436349941357413, 1.0736865549237424), (248, 482, 2.8263874375632896, 3.234837412702951, 1.144513087523414), (506, 202, 3.2516528233106405, 3.3723670953921556, 1.0371239731425606)], [(38, 324, 3.2406885688551395, 3.0796662184477857, 1.0522856501275364), (72, 529, 3.0741102004064413, 3.4281753326837094, 1.115176460567502), (116, 388, 3.150100709860709, 3.065655673803655, 1.0275455057717817), (185, 489, 2.9835662994666445, 3.284938671259404, 1.1010107842572945), (289, 380, 3.270994141043471, 2.8664150959691543, 1.141144611484655), (382, 153, 3.380663794831617, 2.987514325396019, 1.1315975177402648)], [(83, 94, 3.974590146027631, 2.867031536624152, 1.3863084850149914), (139, 293, 3.111727276895743, 3.1804758304375054, 1.0220933736874094), (265, 209, 3.538367548005047, 2.872580339488628, 1.231773224708118), (447, 457, 2.8092387429973984, 3.3950573920852594, 1.2085328812113723), (531, 244, 2.901443117861705, 3.708078687206466, 1.2780118501648354)], [(115, 468, 2.971593517427857, 3.1374190947153466, 1.0558035869693996), (141, 67, 3.018433502261906, 3.326475326143656, 1.1020535399076754), (142, 191, 2.969232624117523, 3.1968346934062666, 1.0766534987659946), (161, 230, 3.176075588889058, 3.0810536976116962, 1.030840712497487), (169, 501, 3.1659410096102434, 3.0717759742918753, 1.0306549162785466), (283, 151, 3.6729268526725485, 3.214955296882028, 1.142450365090512)], [(158, 208, 3.4717993803038536, 2.970174945965188, 1.168887167747507), (240, 101, 3.1261454948224388, 3.0224623827131674, 1.0343041861173465), (313, 130, 2.9936814390045714, 3.3936783275755507, 1.1336137116526273), (321, 238, 3.0739316644302273, 3.411229790093119, 1.1097285699503057), (401, 225, 3.3724089410369094, 3.1195086569446957, 1.0810705504949323), (518, 19, 2.9764558343472927, 3.3604554697014994, 1.1290123746917327)], [(61, 525, 2.9180032632757515, 3.305610723129084, 1.1328331139075576), (120, 47, 3.345725942855324, 3.161473107910798, 1.0582806902527429), (121, 423, 3.636696127537174, 2.8492184720480767, 1.2763837393357351), (128, 484, 3.038507275641341, 3.3755193280258093, 1.1109136894573783), (236, 194, 3.0592673672961133, 3.422904152826007, 1.118864009539411), (270, 320, 3.6844097202822934, 2.921339561248391, 1.2612055678689456)], [(60, 179, 2.892993229604277, 3.494459921579365, 1.20790463172199), (187, 200, 3.1927847348862914, 3.315434297451441, 1.0384146044125702), (228, 275, 3.245796314530629, 3.264229398632157, 1.0056790637228243), (287, 308, 3.4145516921573895, 3.001105686360515, 1.1377645604671345), (310, 414, 3.275678363742696, 2.9114248400587095, 1.1251117729958784), (334, 37, 3.128632121115204, 3.8956693571498615, 1.2451669631779034)], [(122, 6, 2.9503508957347497, 3.0903527402931243, 1.0474526080137694), (214, 367, 3.7720150513603423, 2.95442797688108, 1.276732782412374), (223, 246, 3.1649698675555653, 3.244814784700271, 1.0252277021538827), (231, 166, 3.0831525375371696, 3.4025915291230717, 1.103607910311525), (300, 22, 3.498362568036368, 3.015505176090646, 1.1601248758497262), (349, 145, 3.4579590317432674, 3.1371255653115204, 1.1022698836091656)], [(28, 66, 3.318291022061406, 2.9520911517242228, 1.1240476162544295), (151, 59, 3.294217853981194, 3.225507331731531, 1.0213022371934208), (183, 169, 3.9697454362400424, 3.027145077130417, 1.3113826179758663), (449, 437, 3.085273073769242, 3.165586550174065, 1.026031237587247), (466, 212, 2.9940080841216705, 3.3897054178830555, 1.1321630812755363)], [(292, 259, 2.9410499602341855, 3.5547862934695837, 1.20867932933262), (318, 369, 3.3168786486747996, 2.985247183390596, 1.1110901191463622), (319, 7, 3.0745729576743233, 3.2937563409351998, 1.0712890493340812), (377, 103, 3.0503922175727975, 3.151348552946932, 1.0330961817934565), (417, 487, 3.5720858147372283, 2.9370897025884433, 1.2161990870041068), (518, 14, 3.3604554697014994, 2.9764558343472927, 1.1290123746917327)], [(4, 113, 3.1196711017730467, 3.1959164504516417, 1.0244401881452379), (324, 422, 3.0636997056461075, 3.468919414288381, 1.1322648260518131), (351, 185, 3.0476135717573363, 3.229131495583902, 1.059560675772256), (394, 418, 3.185813171002452, 2.8287032058806267, 1.1262451162707439), (461, 170, 2.9941942547357097, 3.0112431873090935, 1.0056939968228242), (477, 390, 3.586096311790499, 3.12461261058374, 1.1476930931033222)], [(86, 402, 3.383813441697338, 3.164999972600058, 1.0691353778804378), (157, 49, 3.508200462951603, 3.0396119786127955, 1.1541606256442836), (166, 171, 3.206937302750879, 3.066333256722596, 1.0458541307341673), (273, 223, 2.8675582106300412, 3.7614635037691992, 1.3117304785044817), (428, 44, 3.277287687316394, 2.9683909470503957, 1.1040620139921056), (510, 118, 2.8353344757561993, 3.346309910822877, 1.1802169865445584)], [(111, 329, 3.321571228071647, 3.004512920858778, 1.1055273568676296), (170, 266, 3.130159813213813, 3.732707886210436, 1.1924975429219289), (300, 17, 3.015505176090646, 3.498362568036368, 1.1601248758497262), (307, 351, 3.0829645094065925, 3.3987988580447452, 1.1024450160468906), (426, 263, 3.0756918560987794, 3.1444651982098106, 1.0223602835812895), (448, 332, 3.0202977558449122, 3.196709630771691, 1.058408769329244)], [(46, 460, 3.3464459920722014, 3.333916060095908, 1.0037583225703448), (50, 372, 3.1166044902166976, 3.3223938706022893, 1.0660299954747492), (123, 60, 3.187366516461131, 3.0214975824526973, 1.0548962656702805), (275, 129, 2.982592751339909, 3.5480032285932936, 1.1895701238458982), (284, 429, 2.9422042232503465, 3.320777572973555, 1.1286699769960178), (464, 359, 3.9016401787835564, 3.010156147040547, 1.296158733366532)], [(27, 442, 3.4449891696583856, 2.9186037394267608, 1.1803552236711008), (202, 213, 3.163734676694957, 3.0248307292823786, 1.0459212299279743), (358, 91, 2.87742930552752, 3.5711697122237127, 1.241097289640973), (476, 181, 2.8066976209087193, 3.5647963538210146, 1.2701034579802177), (500, 248, 3.3810140938077438, 3.1397777724992073, 1.0768322915785586), (527, 522, 2.9844632888820466, 3.6159434384678164, 1.2115891832002788)], [(10, 1, 3.218576284688825, 3.3798045197911324, 1.0500930289797046), (39, 368, 3.1407757784455432, 2.985321843980429, 1.0520727554982288), (163, 333, 2.957286324089136, 3.401176617330192, 1.1501005464453218), (416, 78, 3.21544374146933, 3.3201328519079913, 1.0325582155546664), (503, 459, 3.4057142421753928, 2.8535159371536993, 1.1935150590301224), (526, 237, 3.3131349517058823, 3.273137615172774, 1.0122198762275374)], [(1, 94, 3.3279022062705366, 2.998646400333901, 1.109801477726741), (152, 84, 3.4189587735602154, 3.1334339411342667, 1.0911220206935628), (196, 247, 3.3372922511155165, 2.852041702288446, 1.1701414633726117), (199, 416, 3.1670244662786793, 3.6331585286290076, 1.1471836000364233), (239, 535, 2.9063389361475354, 3.425529336320636, 1.1786406924931156), (486, 8, 3.003139989722938, 3.639768024261627, 1.2119874653586904)], [(24, 476, 3.4449891696583856, 2.8066976209087193, 1.2274172835700796), (117, 255, 2.978827605861224, 3.2422415693317173, 1.088428737182438), (242, 149, 3.2394840724468446, 3.1735042237025324, 1.0207908495131395), (357, 279, 3.169839083784378, 3.236736798443314, 1.021104451327248), (442, 452, 2.9186037394267608, 3.4299534232323894, 1.1752035320512753), (480, 177, 3.3331643809653517, 3.0629140493906934, 1.0882330771339859)], [(18, 466, 3.318291022061406, 2.9940080841216705, 1.1083106420652393), (66, 305, 2.9520911517242228, 3.4081645936396794, 1.1544916530267295), (182, 229, 3.1693985513724354, 3.2247423617637536, 1.0174619283420046), (186, 70, 3.3471396254720545, 2.938788473021369, 1.1389522097964606), (226, 471, 3.2049530458481486, 3.205020457075717, 1.000021033452473), (267, 473, 3.10231849511714, 3.2173104890362794, 1.0370664695130851)], [(140, 220, 3.2915077489049276, 2.9756658500494986, 1.106141588058409), (148, 101, 3.175498448864526, 3.7199427084169594, 1.171451590457275), (179, 71, 2.9089835298407305, 3.5383050937522866, 1.2163372729532134), (263, 98, 3.2527051357101393, 3.119034785065078, 1.0428563192963147), (348, 187, 3.0442734927040664, 3.2644519455338115, 1.072325450836604), (425, 111, 3.1184179142998456, 3.285750838754249, 1.053659557202734)], [(186, 381, 2.985424835075639, 3.4709898351454567, 1.1626451935298903), (267, 362, 2.9426803211503123, 3.422718168388607, 1.1631294584695646), (272, 422, 3.2841098483848894, 3.0051852055567467, 1.0928144602576892), (377, 505, 3.016247817801816, 3.2495160632417037, 1.0773372280829), (417, 9, 3.7138078303502016, 3.0623682304285205, 1.2127241242411022), (469, 433, 3.10832802994952, 3.0705243808612455, 1.0123117892578566)], [(80, 299, 2.9855491418379967, 3.299104346262454, 1.1050242985554821), (126, 232, 3.606139440288883, 2.9247999932243465, 1.2329524920141348), (233, 280, 2.9496629943236368, 3.022066890585477, 1.0245464978206578), (262, 291, 2.994822956170686, 3.4474034430476546, 1.1511209488842902), (427, 298, 3.090983443980383, 3.11587187111503, 1.0080519444978318), (438, 144, 3.267516251131788, 3.239737747426439, 1.0085743062775423)], [(54, 523, 3.3469163890282965, 3.0235403483911765, 1.106952778324651), (296, 131, 3.1811745701769287, 3.3456786776640586, 1.0517117510712342), (304, 285, 3.2648345676273656, 3.3579319369060863, 1.0285151873242928), (394, 325, 3.2637076959866436, 3.1516737559072543, 1.0355474420121693), (407, 173, 3.2410708053103465, 3.087396935437208, 1.049774574856011), (461, 327, 3.130450488688438, 3.2780115129259384, 1.0471373129109363)], [(75, 398, 3.0305463916862316, 3.3073730406252664, 1.0913454582640476), (126, 401, 3.5425560604879798, 2.8324151008252474, 1.250719239371315), (178, 195, 3.175564369794431, 3.254871878877083, 1.0249743037291308), (194, 496, 3.0216199233128562, 3.3400228459626757, 1.1053749084036777), (208, 61, 3.520439616344382, 2.999047205943419, 1.1738526854021116), (233, 180, 3.1705519308351504, 3.1340477576381454, 1.011647612295645)], [(152, 65, 3.1171613564427094, 3.520885617677185, 1.129516638720045), (192, 82, 3.3588054855493454, 2.988749157646431, 1.1238164557758756), (196, 243, 2.8866751297091824, 3.415431252338681, 1.1831713299455238), (314, 218, 3.0895549219632876, 3.089808114125526, 1.000081951015157), (457, 108, 3.1565278644537402, 3.0723647859199916, 1.027393582597825)], [(98, 306, 3.043039875352036, 3.205905299912042, 1.0535206343759018), (289, 251, 3.001260939592734, 3.183916336280324, 1.0608595521562267), (382, 458, 3.1028590957340003, 3.042233270060502, 1.0199280660921484), (419, 436, 2.907348597903755, 3.751010480560893, 1.2901825681534822), (465, 337, 3.5027637251728874, 2.9440209979967995, 1.1897889748599868), (491, 140, 3.19387010806388, 3.1828888208780963, 1.0034501007744134)], [(8, 486, 2.9051824962686053, 3.639768024261627, 1.252853488184139), (193, 406, 3.150530354474014, 2.7199861888244623, 1.1582890999294473), (320, 342, 3.0455042176619225, 3.2339308003943428, 1.0618704061021063), (494, 458, 3.077568949388999, 3.245500587540031, 1.0545663284601219), (519, 135, 2.87149701265598, 3.316883501369983, 1.1551060254463035)], [(52, 92, 3.147683005536353, 2.8996357511927076, 1.0855442806020088), (215, 520, 2.876625767784697, 3.496684518530334, 1.2155507183762548), (250, 80, 3.164685867059168, 3.373019414179183, 1.0658307193420156), (291, 352, 2.8019706415195613, 3.4187402807798977, 1.2201199506236977), (334, 16, 3.8956693571498615, 3.128632121115204, 1.2451669631779034), (344, 228, 3.588840422510059, 3.1328416909197405, 1.1455543486005022), (513, 311, 3.190457899044174, 3.103837140880805, 1.0279076363326163)], [(11, 72, 3.2406885688551395, 3.0741102004064413, 1.0541875071448883), (110, 147, 2.828566332947847, 3.2784801857011536, 1.1590607395388248), (324, 449, 3.0796662184477857, 3.298521965913676, 1.0710647621988718), (351, 171, 3.48211300565591, 2.9388719636411316, 1.184846787725222), (431, 387, 3.4230038077954377, 2.853350087854791, 1.199643823015396), (530, 426, 3.008249822504741, 3.2911670962045645, 1.094047133846171)], [(25, 163, 3.1407757784455432, 2.957286324089136, 1.0620465637235594), (248, 149, 3.3389567585642377, 3.02177306894235, 1.10496608527023), (368, 411, 2.985321843980429, 3.1225758557580945, 1.045976286293695), (441, 2, 3.150029713250805, 3.2378763170187073, 1.027887547662922), (521, 533, 3.0251419395034724, 3.435732804060332, 1.1357261486461858)], [(148, 210, 2.964149625378467, 3.3685529925674706, 1.136431495807965), (207, 59, 3.024758973861427, 3.2443680594912236, 1.0726038297687708), (260, 327, 2.9757449671413876, 3.3686674438791635, 1.1320417176459958), (399, 115, 3.9921446716183704, 3.6959380595128204, 1.0801438247438038), (425, 256, 3.1011763916750605, 3.194195550728337, 1.0299947978783088), (515, 102, 3.7596091047745603, 3.194631336885613, 1.176852258777294)], [(78, 533, 3.007363979491309, 3.097957167333639, 1.0301237856342396), (100, 522, 2.9973258262687343, 3.2229277128491907, 1.075267721848345), (166, 231, 2.907414386585913, 3.4025915291230717, 1.1703152962377097), (323, 163, 3.445453115205379, 2.9265452057431185, 1.1773107445748467), (355, 129, 3.4292607814026264, 2.9493032173810203, 1.162735917145816), (428, 372, 3.0829160513391756, 3.2363988564049233, 1.0497849446789436)], [(184, 326, 2.8629129738292907, 3.528025370917465, 1.2323201589318844), (316, 340, 3.162126716443487, 2.8655628893584533, 1.1034923463680915), (363, 224, 2.8056164804160364, 3.3473518933602904, 1.1930896174604455), (364, 206, 3.2040972148680726, 3.1418041578635356, 1.0198271610433214), (400, 238, 3.3520239412124013, 3.035598205147131, 1.1042383460132312), (474, 225, 3.725014117288715, 2.8235328067957193, 1.3192742469020715)], [(74, 136, 3.605322539716054, 2.8883012854260763, 1.2482501593265067), (127, 392, 3.6828543536474854, 3.6171605270102027, 1.018161711692564), (341, 61, 3.1519412680291485, 3.379598187480926, 1.0722275258619038), (452, 455, 2.8660303855669613, 3.309464821301094, 1.1547207726642479), (484, 242, 2.838550026015317, 3.5563582499848794, 1.2528784828137072), (507, 282, 3.3263598361885505, 3.051907528425515, 1.0899281204318225), (512, 85, 3.2552456555829954, 2.958975925017555, 1.1001257658301773)], [(50, 261, 3.2199867155264656, 3.0403540217572878, 1.059082821435825), (167, 197, 3.2660908617788658, 3.183681671402428, 1.0258848713163387), (275, 228, 3.2488882477997443, 3.264229398632157, 1.0047219693822347), (355, 162, 3.05019794342888, 3.340544281800449, 1.0951893430382345), (428, 21, 2.9683909470503957, 3.277287687316394, 1.1040620139921056), (534, 92, 3.1740998023237177, 3.3880606245526472, 1.0674083474225642)], [(53, 475, 3.13962136190888, 2.923933570547004, 1.0737663104027104), (119, 260, 2.8609727031815924, 3.5295764403472374, 1.233698048367296), (210, 409, 3.0321108513094845, 3.3056241653773113, 1.0902055787141502), (274, 273, 3.3683866811100054, 2.927402073541498, 1.1506402593460676), (353, 144, 3.4342162407358168, 2.8149725066754336, 1.2199821606043777), (402, 497, 3.108107611415448, 3.3027656053411603, 1.062629103706311)], [(23, 275, 3.3464459920722014, 2.982592751339909, 1.1219922634656823), (71, 179, 2.96001240251731, 3.5383050937522866, 1.1953683338431873), (216, 362, 3.096390401316349, 3.0213073853775305, 1.024851167511854), (261, 497, 3.200397618115541, 3.4655920409523864, 1.0828629609445208), (356, 472, 3.411824626277363, 3.0512526694826603, 1.1181717792174313), (460, 81, 3.333916060095908, 3.035301980251455, 1.0983803528569223)], [(120, 15, 3.161473107910798, 3.345725942855324, 1.0582806902527429), (141, 58, 2.9074090999535485, 3.28253533143852, 1.129024233806988), (182, 362, 3.4601819597784864, 2.96734800702388, 1.1660856601881682), (222, 434, 3.072079666271771, 3.173408548510842, 1.032983806817107), (226, 381, 3.2832403619994173, 3.0027611703910564, 1.0934070929030408), (283, 81, 3.2335245572314344, 3.0918664171169916, 1.0458163843464272)], [(105, 59, 3.2887539358062767, 3.1076210765937273, 1.0582866619668734), (123, 108, 3.09407719269586, 3.1610094064364813, 1.0216323671234275), (322, 286, 3.516994263410728, 2.9314608769303043, 1.1997411567346477), (344, 218, 2.9180771418688347, 3.241789867054261, 1.1109335735305852), (409, 210, 3.0359950620756333, 3.3056241653773113, 1.0888107845331407)], [(157, 21, 3.0396119786127955, 3.508200462951603, 1.1541606256442836), (328, 69, 3.004385266108441, 3.8006114238665196, 1.265021322910901), (370, 64, 2.9253914593024737, 3.314433775477454, 1.1329881219615452), (433, 469, 3.3252551078936508, 3.0705243808612455, 1.0829600079452737), (456, 217, 3.4467780534866264, 2.8585769726262877, 1.205767095478956), (462, 237, 3.054939485919205, 3.29331922587049, 1.0780309204323106)], [(23, 123, 3.1166044902166976, 3.187366516461131, 1.022704846401448), (44, 355, 3.2199867155264656, 3.05019794342888, 1.0556648372487976), (221, 504, 3.8718860490644866, 2.68197383390531, 1.4436703297088125), (261, 466, 3.0403540217572878, 3.265999695059311, 1.074216907533552), (372, 86, 3.3223938706022893, 2.952112913154284, 1.1254291310464701), (430, 290, 2.9861271819926913, 3.084356031551921, 1.0328950656059064)], [(167, 84, 3.298687795357158, 3.0053580600169183, 1.0976022588598273), (323, 416, 2.8722794723512184, 3.4144909846861813, 1.188773939846151), (333, 340, 3.286308026959834, 3.012836219994319, 1.0907688924975918), (428, 511, 2.935853915562805, 3.630256445025419, 1.236524891712637), (454, 147, 3.5150334477700254, 2.9326911743662105, 1.19856924537227), (510, 224, 3.0430856446771584, 3.284753526381704, 1.079415405914474)], [(37, 215, 3.147683005536353, 2.876625767784697, 1.0942274941659855), (55, 398, 3.0952191523283625, 3.0958134575487923, 1.000192007477074), (92, 150, 2.8996357511927076, 3.648145528192271, 1.2581392427278766), (155, 275, 3.4578806009925485, 3.0635402895715016, 1.1287204587331225), (191, 142, 3.1757888868798094, 3.1968346934062666, 1.006626953892749), (322, 180, 3.017535830608052, 3.0837141854361168, 1.0219312573381205)], [(45, 353, 3.13962136190888, 3.4342162407358168, 1.0938313397918225), (159, 147, 3.4952607218571887, 2.9231171875187254, 1.1957306182528127), (200, 224, 3.037308634563409, 3.032407579016425, 1.0016162258599068), (263, 426, 3.4841151475264738, 3.1444651982098106, 1.1080151720267188), (348, 60, 3.2993229664989334, 2.9115639298468405, 1.1331789533031105), (475, 238, 2.923933570547004, 2.9452721120778285, 1.007297888620237)], [(32, 296, 3.3469163890282965, 3.1811745701769287, 1.0521008247724517), (69, 501, 3.0628085891785957, 3.2904890729532625, 1.0743371572677116), (266, 450, 3.499960000892225, 2.8841524044147593, 1.2135142357716089), (360, 370, 2.980906007456529, 3.238852375125205, 1.0865328752478076), (453, 227, 3.3527425620921076, 3.1330831755778297, 1.070109656911284), (523, 79, 3.0235403483911765, 3.065079966624696, 1.01373873454529)], [(52, 155, 3.0952191523283625, 3.4578806009925485, 1.1171682620247991), (107, 58, 3.1994365460046432, 3.067402408187351, 1.0430442831579168), (286, 233, 2.88053965307213, 3.692140697545869, 1.281753123449683), (291, 190, 3.0145882945515963, 3.403744249819916, 1.129090913001838), (398, 133, 3.0958134575487923, 3.5352218190275853, 1.1419363173860961), (413, 264, 3.150639890119308, 3.025198504332868, 1.0414655056872386)], [(36, 519, 3.4739260348378753, 2.87149701265598, 1.2097961514592281), (244, 531, 3.0145031775174886, 3.708078687206466, 1.2300795417506085), (270, 317, 3.0795045638868705, 2.887524204671388, 1.0664861471654161), (345, 149, 3.1857967632202504, 2.9831983446226693, 1.067913157354345), (408, 411, 2.995784295616037, 3.0413975520219747, 1.0152258146464974)], [(129, 152, 3.1119931541549604, 3.3025898020996145, 1.061245844223719), (155, 464, 3.0088106883822476, 3.4026019884029313, 1.1308793875072327), (191, 107, 3.24503007244727, 3.123001280810733, 1.0390742047998323), (218, 478, 3.0483891808498598, 3.2861077443789393, 1.0779816976855974), (365, 100, 3.125629006355453, 2.9126757945281554, 1.07311256962665), (535, 161, 3.345474459818699, 3.0751574581586096, 1.087903466842948)], [(107, 55, 3.067402408187351, 3.1994365460046432, 1.0430442831579168), (141, 47, 3.28253533143852, 2.9074090999535485, 1.129024233806988), (142, 535, 3.276800903645684, 3.089094945862324, 1.0607640623137151), (442, 484, 3.0629626023982492, 3.309906628992037, 1.0806226058393382), (455, 227, 3.0175109184766953, 3.0655946913007805, 1.0159349126227384), (480, 527, 3.468568995112218, 2.8548439916389876, 1.2149767221153427)], [(105, 48, 3.1076210765937273, 3.2887539358062767, 1.0582866619668734), (135, 519, 2.9340395938380768, 3.316883501369983, 1.1304835518702392), (151, 18, 3.225507331731531, 3.294217853981194, 1.0213022371934208), (207, 40, 3.2443680594912236, 3.024758973861427, 1.0726038297687708), (229, 235, 3.1877120932423804, 3.079502894572144, 1.0351385279945549), (385, 115, 3.454512501724665, 2.933036898791437, 1.177793741070255)], [(16, 310, 2.892993229604277, 3.275678363742696, 1.132279996448787), (123, 23, 3.0214975824526973, 3.187366516461131, 1.0548962656702805), (179, 160, 3.494459921579365, 3.0512097312048057, 1.1452703122441656), (253, 195, 2.878770210330181, 3.3618227097050295, 1.1677982138489076), (348, 53, 2.9115639298468405, 3.2993229664989334, 1.1331789533031105), (409, 250, 3.702332572027588, 3.0025107782376232, 1.2330788614856323)], [(15, 121, 2.9180032632757515, 3.636696127537174, 1.2462961139579458), (208, 33, 2.999047205943419, 3.520439616344382, 1.1738526854021116), (317, 392, 3.979943222581933, 3.9536899322036336, 1.0066401996182), (339, 222, 3.0259542005620568, 3.3101128367031714, 1.093907117327927), (341, 43, 3.379598187480926, 3.1519412680291485, 1.0722275258619038), (525, 313, 3.305610723129084, 3.0476161020408923, 1.0846545668647114)], [(145, 311, 3.213869533024464, 3.322432720751312, 1.0337795876936806), (196, 138, 3.1103737829875664, 3.190715841768162, 1.0258303549303407), (211, 374, 2.895029503481432, 3.316338328284098, 1.1455283354784533), (239, 162, 3.1480452859286903, 3.174032509251582, 1.0082550347795347), (314, 228, 3.1320717708240733, 2.8758463135908254, 1.089095671080323), (414, 214, 3.3000992697356835, 3.121886577927251, 1.0570849348174447)], [(1, 149, 3.1304544745456697, 3.2551179306418545, 1.0398227979706613), (134, 163, 3.0716362432430757, 3.345502973928838, 1.0891598838528518), (152, 129, 3.0723944714507914, 3.3025898020996145, 1.0749237550021122), (278, 429, 3.140447605846574, 3.0550117659339753, 1.0279657973384202), (295, 326, 3.299438532626326, 3.007889682584272, 1.0969280395255605)], [(6, 453, 2.9845562292124654, 3.1867427394594463, 1.0677442456161503), (190, 291, 2.8941873122502497, 3.403744249819916, 1.176062183471284), (219, 330, 3.283238194919659, 3.495315045832326, 1.0645938059690052), (257, 144, 3.394637143330579, 3.1954917788659447, 1.0623207250232105), (370, 49, 3.314433775477454, 2.9253914593024737, 1.1329881219615452)], [(134, 201, 3.0607587106275296, 3.31327730607646, 1.0825019608935975), (152, 34, 3.520885617677185, 3.1171613564427094, 1.129516638720045), (167, 430, 3.4048959948538573, 2.9203111406261097, 1.1659360358854958), (199, 77, 2.9768770427598126, 3.399384245430149, 1.1419296788552062), (323, 446, 2.9263605379473026, 3.3418251517534565, 1.1419731466504746), (355, 365, 3.3203393469333964, 3.243894348882502, 1.023565810050882)], [(28, 18, 2.9520911517242228, 3.318291022061406, 1.1240476162544295), (103, 397, 2.8733136463853044, 3.550936878313788, 1.2358333670885353), (279, 357, 3.1042302508244948, 3.236736798443314, 1.0426857987044051), (305, 439, 3.4081645936396794, 2.9780279908864693, 1.1444367225793506), (309, 319, 3.1090535846118237, 3.2257112717365386, 1.0375219287638235), (524, 235, 3.2853184474249453, 3.019026654169993, 1.0882045187932143)], [(120, 524, 3.1466162555198802, 2.938311667693787, 1.0708926116029027), (128, 245, 2.844405997945784, 3.9111861785513002, 1.3750449764822392), (141, 13, 3.326475326143656, 3.018433502261906, 1.1020535399076754), (357, 358, 3.235161893017223, 3.1764504281928736, 1.0184833562341318), (442, 93, 2.882986538664661, 3.562320484730432, 1.2356354901262994), (493, 405, 3.007931449815717, 3.3414213646605444, 1.1108701845134334)], [(154, 107, 3.116026228599773, 3.136010449901598, 1.0064133674865776), (202, 506, 3.1449007720146405, 3.3723670953921556, 1.0723286169794792), (264, 397, 3.465128170219541, 2.9857630944241786, 1.1605502716175178), (456, 511, 2.999811588522652, 3.25867886704957, 1.086294512467833), (462, 168, 3.0832078877456577, 3.461591956464979, 1.1227241504613508), (527, 375, 3.0131714734575383, 3.268209964321089, 1.0846412137875778)], [(54, 453, 3.0628085891785957, 3.3527425620921076, 1.0946627791034333), (328, 49, 3.8006114238665196, 3.004385266108441, 1.265021322910901), (394, 171, 3.1378152343196124, 3.524441809197798, 1.1232152137734202), (412, 106, 3.2238490624033513, 3.148663117975456, 1.0238786880688078), (477, 437, 2.7849501053822183, 3.444861340858145, 1.2369562148350797), (501, 169, 3.2904890729532625, 3.0717759742918753, 1.0712008624625715)], [(124, 102, 3.323455581425549, 3.073603511923633, 1.0812896225985715), (186, 28, 2.938788473021369, 3.3471396254720545, 1.1389522097964606), (319, 97, 2.9823743972681838, 3.2659642435249667, 1.0950886134606532), (390, 412, 3.0678985125992235, 3.449065575640786, 1.1242437001994), (417, 132, 3.2222168092159738, 3.1562320514194386, 1.0209061807628688), (437, 327, 3.164414220873724, 3.346776810378991, 1.0576291777171054)], [(46, 261, 2.96001240251731, 3.200397618115541, 1.0812108812090782), (105, 180, 3.260562029233435, 3.003252404306952, 1.0856769895721972), (123, 228, 2.987055561154018, 3.5808298907629754, 1.1987824857799292), (135, 354, 3.265405628849882, 3.331922527861232, 1.0203701795647293), (179, 29, 3.5383050937522866, 2.9089835298407305, 1.2163372729532134), (404, 193, 2.9780131805371033, 3.5385316786672907, 1.1882189446955687)], [(11, 38, 3.0741102004064413, 3.2406885688551395, 1.0541875071448883), (76, 259, 2.973616277035373, 3.2747345415273905, 1.1012633226477444), (368, 482, 3.4833562945027334, 2.846856195892433, 1.2235799966042085), (441, 503, 3.18805468486839, 2.9365714675410746, 1.0856383779884282), (495, 376, 3.0651928149213448, 3.3767202501444666, 1.1016338788563669), (529, 281, 3.4281753326837094, 3.00833323643055, 1.1395597040809584)], [(136, 243, 3.0250031822478287, 3.117601552007677, 1.0306109991233265), (204, 300, 3.241952225849331, 3.008710102342345, 1.077522298783589), (332, 376, 2.9716826510510073, 3.2532322912133718, 1.0947441814026768), (367, 82, 3.460162683449088, 3.1923083249683812, 1.0839061679555528), (371, 156, 2.952897820531345, 3.5423003903093675, 1.1996014104111348), (459, 503, 3.4081667665448494, 2.8535159371536993, 1.1943745335953506)], [(43, 452, 3.605322539716054, 2.8660303855669613, 1.2579498660837978), (88, 149, 2.991722323200221, 3.340135863983737, 1.116459184089926), (127, 317, 2.7729076703834727, 3.3876511537322975, 1.2216963406011316), (136, 189, 2.8883012854260763, 3.089841060776554, 1.069777961311521), (315, 326, 3.1369662879401305, 2.9754396404389114, 1.0542866490403389), (371, 206, 3.5802724869024773, 2.893935180896006, 1.237164021688271)], [(33, 208, 3.0305463916862316, 3.520439616344382, 1.161651782002772), (139, 308, 2.948548325145212, 3.3986255230881954, 1.152643656576603), (265, 481, 3.1695144510532582, 3.1538784563710016, 1.004957703633338), (286, 322, 3.5543682459888606, 2.9314608769303043, 1.212490425494212), (331, 225, 3.0997946146784106, 3.2575635316482447, 1.0508965710898244), (398, 93, 3.3073730406252664, 3.024628397678057, 1.093480786983375)], [(72, 441, 2.973616277035373, 3.18805468486839, 1.0721136783818008), (97, 319, 3.450176908273754, 3.2659642435249667, 1.056403760425119), (259, 514, 3.2747345415273905, 3.4065781596211426, 1.0402608566959624), (382, 110, 3.1304691298917766, 3.253930202955873, 1.0394385211740977), (411, 408, 3.0560376426610816, 3.0413975520219747, 1.0048136063729565), (419, 252, 3.5042965039249507, 2.8209730184315753, 1.2422297133041331)], [(199, 65, 3.399384245430149, 2.9768770427598126, 1.1419296788552062), (248, 500, 3.170240749098018, 3.1397777724992073, 1.0097022715638129), (388, 494, 2.985766560918502, 3.464467831972416, 1.1603277621632457), (486, 243, 3.2614726317137017, 3.216672771382615, 1.0139273912875604), (508, 113, 3.148715476938977, 3.1317016777688336, 1.0054327649695756), (521, 185, 3.2656070472777854, 3.107583792498345, 1.050850842754717)], [(41, 428, 3.007363979491309, 3.0829160513391756, 1.025122357108449), (162, 239, 3.066698229696414, 3.174032509251582, 1.0349999483208994), (171, 296, 3.397173782885968, 2.819462194035446, 1.2049013425584025), (325, 501, 3.0988343895170893, 3.278577997272235, 1.0580036185099766), (416, 25, 3.3201328519079913, 3.21544374146933, 1.0325582155546664), (533, 431, 3.097957167333639, 2.964039885966948, 1.0451806610298038)], [(106, 358, 3.081674890455086, 3.1317976422666005, 1.0162647760043606), (181, 174, 3.0450987338632114, 3.4171870343650457, 1.1221925241254094), (281, 451, 3.478460778163109, 3.1001421615061404, 1.1220326671965166), (282, 507, 3.1394930703056216, 3.051907528425515, 1.0286986224400096), (338, 441, 2.8771110934075033, 3.3310830782579157, 1.1577874368113994), (523, 54, 3.065079966624696, 3.0235403483911765, 1.01373873454529)], [(31, 126, 2.9855491418379967, 3.606139440288883, 1.2078647072842457), (137, 353, 3.042575567561341, 3.301591968646269, 1.0851306386097528), (180, 362, 3.070815142469946, 3.015138496149572, 1.018465701124998), (250, 37, 3.373019414179183, 3.164685867059168, 1.0658307193420156), (299, 179, 3.299104346262454, 3.0235727713247336, 1.0911278132779985), (410, 434, 3.060880382596036, 3.286316004925123, 1.0736505822347386)], [(113, 509, 3.007910635776715, 3.4181004362623217, 1.136370341461187), (283, 47, 3.0918664171169916, 3.2335245572314344, 1.0458163843464272), (354, 329, 3.0128464704994413, 3.1534483454189997, 1.0466674542816152), (387, 388, 3.2827906620368275, 3.2600060772808077, 1.006989123399127), (445, 324, 3.2178384123229913, 3.140389686724783, 1.0246621385637595), (460, 46, 3.035301980251455, 3.333916060095908, 1.0983803528569223)], [(192, 34, 2.988749157646431, 3.3588054855493454, 1.1238164557758756), (205, 223, 3.4863663348362106, 3.0952362150380393, 1.1263651923875426), (361, 90, 3.328510619054082, 2.9132184594383976, 1.1425544171842654), (363, 118, 3.1182711826832055, 2.8688106452151203, 1.0869560833107474), (367, 73, 3.1923083249683812, 3.460162683449088, 1.0839061679555528)], [(12, 531, 3.974590146027631, 2.901443117861705, 1.3698666437951093), (94, 242, 2.867031536624152, 3.4075559351677263, 1.18853102647766), (201, 347, 3.137631146705446, 3.118274239974471, 1.006207570355048), (255, 413, 3.0077393645481805, 3.005284211061149, 1.0008169455248177)], [(152, 26, 3.1334339411342667, 3.4189587735602154, 1.0911220206935628), (167, 51, 3.0053580600169183, 3.298687795357158, 1.0976022588598273), (275, 155, 3.274266926053315, 3.0635402895715016, 1.0687853321854917), (278, 463, 2.8247435083217547, 3.6068117681996603, 1.2768634594871768), (284, 356, 3.1259377624169575, 3.1338139361798816, 1.0025196195067025), (457, 287, 3.286717100561865, 2.810868747235087, 1.1692887132474068)], [(293, 232, 3.28975875278027, 3.099990454425687, 1.0612157686110488), (315, 247, 3.746544006026854, 3.321169291275405, 1.1280798048653808), (352, 291, 2.9973612644970866, 3.4187402807798977, 1.1405833261655607), (502, 330, 3.7045030454841044, 2.89350683377068, 1.280281422614293), (512, 43, 2.958975925017555, 3.2552456555829954, 1.1001257658301773)], [(21, 166, 3.383813441697338, 3.206937302750879, 1.0551542241860283), (172, 337, 2.8904003288323894, 3.2353000717461717, 1.1193259423178616), (274, 246, 3.202585151156336, 3.0723624474724454, 1.0423852022377833), (372, 50, 2.952112913154284, 3.3223938706022893, 1.1254291310464701), (402, 306, 3.164999972600058, 3.180520120096998, 1.0049036801362718), (504, 433, 3.8935704552319867, 2.8820887701096494, 1.3509543826729027)], [(99, 0, 2.9892034529681553, 3.473728477611225, 1.162091685048054), (252, 491, 3.2170249092898984, 3.1625652639491992, 1.0172200858466058), (313, 102, 3.2455910841335984, 2.9497667229417783, 1.1002873748934279), (321, 536, 3.291857348924555, 2.821342850488343, 1.1667696991717158), (436, 97, 3.1995743239178007, 2.921272624069847, 1.095267280963401)], [(74, 371, 2.991722323200221, 3.5802724869024773, 1.196726199867603), (138, 295, 3.186117560709512, 2.987833648265123, 1.0663637724809485), (149, 248, 3.340135863983737, 3.02177306894235, 1.1053562884365824), (243, 211, 3.1138555369376864, 3.1330579498590096, 1.006166764223175), (245, 270, 3.3930475412230554, 3.0562400838633694, 1.110203206592962), (484, 442, 3.059134699492522, 3.309906628992037, 1.0819747916105542)], [(198, 219, 2.9659968409869086, 3.3708741864174394, 1.1365063306324397), (269, 102, 3.486821410172158, 2.8892631318875877, 1.2068203036579015), (277, 452, 3.13762354975632, 2.910912350305406, 1.0778832105429514), (282, 0, 3.021147524496202, 3.4439717143736956, 1.1399548305566451), (453, 304, 3.111111594828166, 3.1685842466260765, 1.018473349491369), (523, 412, 3.077438120403443, 3.2398145652119354, 1.0527635125242438)], [(140, 256, 3.207385638772465, 2.9498032339900373, 1.0873218938179854), (253, 108, 3.195365308638267, 3.2313670693024044, 1.0112668684756672), (348, 210, 3.460921519198629, 3.118018677582383, 1.1099745951111886), (361, 82, 2.9132184594383976, 3.328510619054082, 1.1425544171842654), (475, 465, 3.2967486865999818, 2.9802851928897, 1.1061856410471365)], [(7, 281, 2.7473184058764906, 3.6086358701979115, 1.3135120641564773), (279, 120, 3.42296143213926, 2.844312023537952, 1.203440903744992), (309, 377, 2.931539171743158, 3.3434612658195215, 1.140513931400557), (358, 24, 3.5711697122237127, 2.87742930552752, 1.241097289640973), (381, 366, 3.099734100953242, 3.190171728935117, 1.0291759309142237)], [(52, 37, 2.8996357511927076, 3.147683005536353, 1.0855442806020088), (150, 433, 3.648145528192271, 2.9171697386390814, 1.2505770507184146), (217, 177, 3.126436143745149, 2.9363640599676897, 1.0647304216696996), (359, 362, 3.124443377854147, 3.2332423573305014, 1.0348218758731602), (413, 255, 3.1743458236989808, 3.005284211061149, 1.0562547834962128), (534, 44, 3.3880606245526472, 3.1740998023237177, 1.0674083474225642)], [(107, 191, 3.3306042705064445, 3.123001280810733, 1.0664754737602342), (117, 202, 3.162124490867587, 2.9607226342498714, 1.0680245607230758), (268, 138, 3.091276377204276, 3.434482275089957, 1.1110240095051203), (393, 350, 3.1496268005280887, 3.288349748425666, 1.0440442492660775), (398, 75, 3.024628397678057, 3.3073730406252664, 1.093480786983375), (442, 67, 3.562320484730432, 2.882986538664661, 1.2356354901262994)], [(1, 26, 2.998646400333901, 3.3279022062705366, 1.109801477726741), (83, 12, 2.867031536624152, 3.974590146027631, 1.3863084850149914), (117, 154, 3.238029520920562, 3.2348445500343246, 1.0009845823615244), (242, 538, 3.4075559351677263, 2.905957443141829, 1.172610405293336), (268, 512, 2.9245739560747106, 3.2478332285572344, 1.110532090259189), (506, 526, 3.6797890631069325, 2.785726285015436, 1.320944230199753)], [(137, 101, 3.210319450990008, 3.4257515458891272, 1.0671061239194384), (249, 391, 3.0978376636386686, 3.1687908930455437, 1.0229041147764775), (250, 322, 3.048482905819008, 2.8700086817590424, 1.0621859526747417), (396, 225, 2.9816158304041585, 3.135638599010506, 1.0516574828439482)], [(318, 389, 3.3027819678555606, 2.9038180944479026, 1.1373928601693324), (377, 309, 3.0607790057577065, 3.3434612658195215, 1.0923563117526796), (397, 209, 2.974564914733546, 3.45691442261032, 1.162158003507542), (403, 146, 2.9545018363495466, 3.6995560479066225, 1.2521759175745284), (444, 462, 3.0969526171237685, 3.4133899540508272, 1.1021770030246518), (469, 467, 3.3097645139914116, 2.942517665628377, 1.124807015656305)], [(76, 382, 3.450176908273754, 3.1304691298917766, 1.1021277530991114), (241, 305, 3.218991588390329, 2.928901964930394, 1.0990438146900656), (292, 234, 3.163031138245725, 3.0142275902274607, 1.049367057915834), (319, 70, 3.2659642435249667, 2.9823743972681838, 1.0950886134606532), (436, 87, 2.921272624069847, 3.1995743239178007, 1.095267280963401), (499, 528, 2.9363395436192707, 3.2768631840781297, 1.1159687547711654)], [(35, 419, 3.043039875352036, 2.907348597903755, 1.0466718292901362), (110, 212, 3.187656288969435, 3.1962993527197385, 1.002711416466139), (159, 172, 3.21574604530358, 3.3423422558139357, 1.0393676020204525), (263, 29, 3.119034785065078, 3.2527051357101393, 1.0428563192963147), (306, 487, 3.205905299912042, 3.0511846555034943, 1.0507083844071758), (530, 307, 3.1779215889423913, 2.83193656894518, 1.122172588112057)], [(0, 206, 3.473728477611225, 2.8675345151801683, 1.2113990116673345), (87, 321, 2.9892034529681553, 3.291857348924555, 1.1012490118917388), (130, 269, 3.0207640003589113, 3.2509586519955556, 1.0762041164451424), (495, 289, 3.435410994004304, 3.024746876869135, 1.1357680936132548), (529, 499, 3.0861366116095033, 2.8548652815472364, 1.0810095423966646)], [(41, 323, 2.9973258262687343, 3.445453115205379, 1.1495090340226717), (325, 4, 2.9908183859185455, 3.0235980412432073, 1.0109600955641425), (365, 57, 2.9126757945281554, 3.125629006355453, 1.07311256962665), (418, 407, 3.481468509706455, 2.906931178035758, 1.1976439401151966), (522, 527, 3.2229277128491907, 3.6159434384678164, 1.1219436985979387)], [(137, 95, 3.4257515458891272, 3.210319450990008, 1.0671061239194384), (148, 29, 3.7199427084169594, 3.175498448864526, 1.171451590457275), (240, 14, 3.0224623827131674, 3.1261454948224388, 1.0343041861173465), (410, 229, 3.1810761909498813, 2.9864000926493626, 1.0651875476362624), (470, 487, 2.951011634577805, 3.25709060932503, 1.1037200162685956), (515, 294, 3.1357760424842356, 3.4323016058156246, 1.0945620986046167)], [(124, 70, 3.073603511923633, 3.323455581425549, 1.0812896225985715), (240, 438, 3.3381177300953238, 3.007080393963774, 1.1100859613850211), (269, 89, 2.8892631318875877, 3.486821410172158, 1.2068203036579015), (298, 339, 3.3506137930496003, 2.912216084512726, 1.1505374930343562), (313, 87, 2.9497667229417783, 3.2455910841335984, 1.1002873748934279), (515, 40, 3.194631336885613, 3.7596091047745603, 1.176852258777294)], [(66, 279, 2.8733136463853044, 3.1042302508244948, 1.0803659582133294), (267, 343, 2.9780404180252473, 3.133914635979198, 1.0523412029636965), (280, 233, 3.1032296190093924, 3.022066890585477, 1.0268566948920814), (377, 19, 3.151348552946932, 3.0503922175727975, 1.0330961817934565), (397, 264, 3.550936878313788, 2.9857630944241786, 1.1892895604962945), (496, 336, 3.1375064422967984, 3.042748022773085, 1.0311423814310305)], [(132, 318, 3.137544757187182, 3.1044817962266333, 1.0106500740319158), (353, 137, 3.105072923156939, 3.301591968646269, 1.0632896715641476), (391, 173, 3.02615423982134, 3.356642030605456, 1.1092104911359797), (402, 159, 3.185817224560477, 2.984894306050817, 1.0673132439236994), (487, 437, 3.2841396845126662, 3.0250655488778344, 1.0856424865672536)], [(48, 344, 3.2887539358062767, 2.9180771418688347, 1.1270277569495808), (59, 385, 3.1076210765937273, 3.454512501724665, 1.1116260369527313), (71, 404, 3.260562029233435, 2.9780131805371033, 1.094878306967524), (180, 233, 3.003252404306952, 3.1340477576381454, 1.0435512357015415), (216, 343, 3.3961414617425776, 3.2962451021039727, 1.0303061078725129), (299, 148, 3.0550982228439048, 3.5729074508533065, 1.1694902062845587)], [(7, 319, 2.986028732316778, 3.2937563409351998, 1.1030558096404064), (79, 282, 3.081674890455086, 3.1394930703056216, 1.018761933658095), (358, 357, 3.1317976422666005, 3.1764504281928736, 1.0142578771130168), (412, 69, 3.148663117975456, 3.2238490624033513, 1.0238786880688078), (476, 237, 3.3444066323344708, 2.902045101487362, 1.1524309634679313), (528, 368, 3.154855562587185, 3.473946735876745, 1.101142878638756)], [(55, 286, 3.1994365460046432, 2.88053965307213, 1.1107073435328016), (58, 141, 3.067402408187351, 3.28253533143852, 1.0701352136507905), (93, 268, 3.3306042705064445, 3.091276377204276, 1.0774204128323894), (154, 68, 3.136010449901598, 3.116026228599773, 1.0064133674865776), (191, 57, 3.123001280810733, 3.24503007244727, 1.0390742047998323), (490, 254, 3.158648319706941, 3.137866884388211, 1.0066227906040641)], [(123, 48, 3.1610094064364813, 3.09407719269586, 1.0216323671234275), (253, 90, 3.2313670693024044, 3.195365308638267, 1.0112668684756672), (284, 430, 3.194918030235297, 3.1892925570822745, 1.0017638623777334), (404, 519, 3.687105499657023, 2.9272621178104443, 1.2595747668865855), (406, 531, 3.1706741115832973, 3.160786186448746, 1.0031283119297798), (457, 34, 3.0723647859199916, 3.1565278644537402, 1.027393582597825)], [(5, 389, 3.3645028736306775, 3.085719004967335, 1.090346485929069), (316, 420, 3.341528126298138, 3.4138015733001112, 1.021628860889476), (337, 172, 3.098682299497014, 3.2353000717461717, 1.0440889897848946), (400, 421, 3.0038338182328124, 3.2992999358229596, 1.0983630039041152), (440, 419, 3.1658211225777917, 3.0655056573162645, 1.032723953721015)], [(38, 351, 2.828566332947847, 3.48211300565591, 1.2310522702244555), (98, 263, 3.187656288969435, 3.119034785065078, 1.0220008780385965), (147, 454, 3.2784801857011536, 2.9326911743662105, 1.1179084297580948), (212, 479, 3.1962993527197385, 3.0313304458151533, 1.0544212878976391), (382, 76, 3.253930202955873, 3.1304691298917766, 1.0394385211740977), (422, 272, 3.2256423017000744, 3.0051852055567467, 1.0733589050470802)], [(22, 307, 3.321571228071647, 3.0829645094065925, 1.0773952207159794), (329, 354, 3.004512920858778, 3.1534483454189997, 1.0495705721637074), (395, 349, 3.157735145800857, 3.3105327913654996, 1.0483883665062386), (425, 29, 3.285750838754249, 3.1184179142998456, 1.053659557202734), (537, 392, 3.1854773249538106, 3.0956718264202094, 1.0290100190101388)], [(174, 181, 3.011192002735864, 3.4171870343650457, 1.1348286762386155), (175, 213, 3.3267863922226293, 2.987684561939487, 1.1134998769960542), (234, 292, 3.266707681747268, 3.0142275902274607, 1.0837627829890426), (340, 333, 3.883754868164459, 3.012836219994319, 1.2890693634092671), (369, 378, 3.022632870993381, 3.4691879750730155, 1.1477371295617766), (383, 474, 3.0284949428780124, 3.321428334556755, 1.0967257324855773)], [(4, 20, 3.1959164504516417, 3.1196711017730467, 1.0244401881452379), (81, 460, 3.007910635776715, 3.035301980251455, 1.0091064355931794), (161, 346, 3.34798364041703, 2.8275996074375875, 1.1840373833730378), (508, 77, 3.1317016777688336, 3.148715476938977, 1.0054327649695756), (509, 365, 3.4181004362623217, 2.8974169572899404, 1.1797060922358222)], [(158, 427, 3.1619824187900414, 3.295730849069048, 1.0422989164911887), (232, 293, 3.307199283896692, 3.099990454425687, 1.0668417637142027), (321, 373, 3.2176235365785955, 3.263169832281719, 1.0141552593662198), (432, 244, 3.1727956403744177, 3.3911979509571, 1.068835921167904), (492, 276, 2.8307377082945337, 3.2040255535362903, 1.1318694572612507)], [(13, 169, 2.971593517427857, 3.1659410096102434, 1.0654017755263543), (271, 493, 3.094290643406826, 3.1274406644300687, 1.0107132861271055), (311, 513, 3.2016711374251052, 3.103837140880805, 1.0315203382470437), (346, 211, 3.742689264607889, 3.252580874895862, 1.1506829218282602), (385, 59, 2.933036898791437, 3.454512501724665, 1.177793741070255), (399, 40, 3.6959380595128204, 3.9921446716183704, 1.0801438247438038)], [(11, 289, 3.150100709860709, 3.270994141043471, 1.038377640055866), (368, 528, 2.9535099091215455, 3.473946735876745, 1.176209609166333), (388, 8, 3.065655673803655, 3.1855174717881694, 1.0390982584928719), (431, 445, 3.3526642850514214, 2.9209266070213094, 1.147808464955026), (458, 379, 2.936113536996145, 3.194254999983586, 1.087919441715983), (521, 416, 3.3030504226293638, 3.018016802491453, 1.0944440136657316)], [(27, 357, 2.978827605861224, 3.169839083784378, 1.0641230387241325), (93, 393, 3.162124490867587, 3.1496268005280887, 1.003967990854473), (94, 1, 3.238029520920562, 2.998646400333901, 1.0798303929933204), (154, 217, 3.2348445500343246, 3.0627772618118527, 1.0561801507304784), (202, 237, 2.9607226342498714, 3.2231624662351823, 1.0886404653206574), (255, 265, 3.2422415693317173, 2.9908871878049306, 1.084040074313622)], [(316, 383, 3.172951957017077, 3.5865210815797957, 1.130342069519237), (333, 197, 3.288114951185095, 3.2705462574969792, 1.0053717918368663), (337, 465, 3.5866980649813254, 2.9440209979967995, 1.218299077153941), (363, 82, 2.8688106452151203, 3.1182711826832055, 1.0869560833107474), (424, 503, 3.0559218970508684, 3.2716228988294294, 1.0705845924880228), (510, 21, 3.346309910822877, 2.8353344757561993, 1.1802169865445584)], [(45, 274, 2.8609727031815924, 3.3683866811100054, 1.1773571545663946), (148, 299, 2.9693673480423777, 3.5729074508533065, 1.2032554521113146), (260, 170, 3.5295764403472374, 3.0517971772915495, 1.1565566894847559), (263, 491, 3.433613003334017, 2.9472928542921117, 1.1650057096747892), (306, 422, 3.3277963817927, 3.218521002430938, 1.033952047937306), (470, 9, 3.07554276082464, 3.234958914758185, 1.0518335026793126)], [(15, 270, 3.345725942855324, 3.6844097202822934, 1.1012287865807469), (47, 283, 3.161473107910798, 3.2335245572314344, 1.0227904672477983), (67, 442, 3.1466162555198802, 2.882986538664661, 1.091443270136574), (279, 91, 2.844312023537952, 3.42296143213926, 1.203440903744992), (339, 298, 3.473187056864409, 2.912216084512726, 1.19262683677044), (524, 280, 2.938311667693787, 3.560537386519781, 1.2117630085559865)], [(15, 61, 3.636696127537174, 2.9180032632757515, 1.2462961139579458), (279, 226, 3.3357559212122108, 3.2858014365811354, 1.0152031355501059), (305, 496, 3.1800179260025065, 3.3895001371271025, 1.0658745378168133), (408, 494, 3.398897714183604, 3.1122356998345784, 1.092108066996424), (423, 499, 2.8492184720480767, 3.261985628310783, 1.1448703075289277), (538, 242, 3.1944587443144403, 2.905957443141829, 1.0992792588389364)], [(6, 198, 3.0903527402931243, 3.045622388587091, 1.0146867687450856), (17, 214, 2.9503508957347497, 3.7720150513603423, 1.2784970956551143), (335, 513, 2.9739545879481826, 3.5890192385511375, 1.206817095693215), (407, 418, 3.396126268716366, 2.906931178035758, 1.1682857490321328), (520, 249, 3.385914804066517, 2.9421384818614675, 1.1508346139860404)], [(23, 50, 3.187366516461131, 3.1166044902166976, 1.022704846401448), (48, 322, 3.09407719269586, 3.516994263410728, 1.136686011491), (60, 348, 3.0214975824526973, 2.9115639298468405, 1.0377575953180735), (71, 135, 2.987055561154018, 3.265405628849882, 1.0931854336142064), (108, 406, 3.1610094064364813, 3.1706741115832973, 1.003057474339411), (228, 314, 3.5808298907629754, 2.8758463135908254, 1.2451395173102615)], [(9, 144, 2.8847318362692635, 3.1882368714976415, 1.1052108315277207), (70, 186, 3.323455581425549, 2.938788473021369, 1.1308930914679627), (102, 298, 3.073603511923633, 3.3506137930496003, 1.0901255741188942), (164, 523, 3.41114167505157, 3.084328565224637, 1.1059592397229348), (450, 260, 2.8160009098688645, 3.286542455408161, 1.1670956653068725), (451, 436, 3.4183867518437587, 3.0365815346213734, 1.1257352100937386)], [(140, 491, 3.189585314960798, 3.1828888208780963, 1.0021039044904039), (179, 299, 3.426514514221372, 3.0235727713247336, 1.13326675868962), (188, 432, 2.8411066681526678, 3.42585678924275, 1.2058177285790876), (253, 287, 3.0782664795547707, 3.54265057799015, 1.1508589660835815), (303, 374, 3.449869274325318, 2.9422319968455835, 1.1725347552551877), (404, 356, 3.149710630874017, 3.147884651538419, 1.0005800655162842)], [(31, 80, 3.606139440288883, 2.9855491418379967, 1.2078647072842457), (33, 194, 3.5425560604879798, 3.0216199233128562, 1.1724029329949537), (158, 525, 3.0247302443652977, 3.399659710101203, 1.1239546787467587), (232, 421, 2.9247999932243465, 3.5126677421013923, 1.2009941706232605), (331, 352, 3.1340390727766527, 3.3312093099184645, 1.062912501268571), (401, 389, 2.8324151008252474, 3.490305212602498, 1.2322717851580332)], [(43, 452, 3.6828543536474854, 2.8660303855669613, 1.2850018521066513), (74, 315, 2.7729076703834727, 3.1369662879401305, 1.1312912872812355), (245, 345, 3.3713278169596106, 2.985119264420868, 1.1293779304371176), (392, 537, 3.6171605270102027, 3.0956718264202094, 1.168457359122926), (443, 0, 2.9442968584178857, 3.035237755535734, 1.030887135873492)], [(15, 236, 3.038507275641341, 3.0592673672961133, 1.0068323323828114), (67, 141, 2.844405997945784, 3.326475326143656, 1.1694797889422326), (245, 415, 3.9111861785513002, 2.936872962817174, 1.3317519103037823), (484, 268, 3.3755193280258093, 3.0091321088587852, 1.1217584359584587), (538, 203, 2.878920604129509, 3.4371961929223307, 1.1939183692638256)], [(57, 191, 3.1119931541549604, 3.24503007244727, 1.0427497464493731), (152, 63, 3.3025898020996145, 3.0723944714507914, 1.0749237550021122), (239, 230, 2.897125954566208, 3.2380845800754017, 1.1176885751107242), (275, 23, 3.5480032285932936, 2.982592751339909, 1.1895701238458982), (314, 310, 3.4404919769036355, 3.0029577502969054, 1.1457010930518323), (355, 41, 2.9493032173810203, 3.4292607814026264, 1.162735917145816)], [(99, 495, 3.0207640003589113, 3.435410994004304, 1.1372656035347768), (269, 294, 3.2509586519955556, 3.0997494418321256, 1.0487811073123565), (281, 7, 2.8916348192678414, 3.6086358701979115, 1.247956984800596), (282, 312, 2.9768957020202467, 3.1897788551448696, 1.0715117943098078), (313, 14, 3.3936783275755507, 2.9936814390045714, 1.1336137116526273), (435, 341, 3.4032749814090018, 2.9109775703228946, 1.1691175555954214)], [(204, 189, 3.0359070108694097, 3.5539036708948775, 1.1706233617073556), (251, 289, 2.938454098771702, 3.183916336280324, 1.0835344808044567), (296, 32, 3.3456786776640586, 3.1811745701769287, 1.0517117510712342), (297, 224, 3.4697075027154467, 3.040668334962137, 1.1411002847039062), (459, 206, 3.259043638617252, 3.0415664165780254, 1.0715017172907584), (489, 416, 3.199312171197943, 2.98156925142103, 1.0730296368843808)], [(104, 402, 3.137544757187182, 3.185817224560477, 1.0153854274947687), (144, 438, 3.279692083334005, 3.239737747426439, 1.012332583382499), (318, 234, 3.1044817962266333, 3.134770912191493, 1.0097565770885417), (378, 370, 3.2089228877121156, 3.0897242574658446, 1.0385790511752775), (417, 70, 3.1562320514194386, 3.2222168092159738, 1.0209061807628688), (469, 473, 2.9518445796148325, 3.519831841249142, 1.1924177395912974)], [(83, 201, 3.0752035398452353, 3.137631146705446, 1.0203003170526241), (85, 502, 2.865310018588406, 3.7045030454841044, 1.2928803590018252), (139, 178, 2.8342681908862484, 3.7227141551470075, 1.313465735923512), (268, 484, 3.677456638811395, 3.0091321088587852, 1.2220987666128331), (326, 192, 3.6883569228258617, 3.058801698898756, 1.205817599798562), (398, 55, 3.5352218190275853, 3.0958134575487923, 1.1419363173860961)], [(10, 248, 3.5651044108211516, 2.8263874375632896, 1.2613643704469375), (63, 295, 3.0716362432430757, 3.299438532626326, 1.0741631727664254), (65, 355, 3.0607587106275296, 3.3203393469333964, 1.084809245303968), (163, 424, 3.345502973928838, 2.8946880051608352, 1.155738707578938), (197, 290, 2.8531216415113043, 3.4259981458165476, 1.200789372584125)], [(59, 229, 2.9340395938380768, 3.1877120932423804, 1.0864584445066978), (71, 123, 3.265405628849882, 2.987055561154018, 1.0931854336142064), (160, 425, 2.939341080511237, 3.2583854758202597, 1.1085428286714964), (354, 161, 3.331922527861232, 3.023606603281613, 1.101969589643373), (460, 466, 3.308296690530383, 3.0432168620182027, 1.0871051392428157), (519, 36, 3.316883501369983, 2.87149701265598, 1.1551060254463035)], [(73, 459, 3.0250031822478287, 3.4081667665448494, 1.1266655144515578), (74, 43, 2.8883012854260763, 3.605322539716054, 1.2482501593265067), (189, 395, 3.089841060776554, 3.1281491189372574, 1.0123980675404307), (243, 486, 3.117601552007677, 3.216672771382615, 1.0317780247803439), (247, 192, 2.8707040336162977, 3.550500126099675, 1.2368046599450453), (392, 342, 3.4464082105535496, 3.044790592107404, 1.1319031986919574)], [(80, 180, 3.042575567561341, 3.070815142469946, 1.009281470346927), (101, 515, 3.4257515458891272, 3.1357760424842356, 1.092473282363356), (353, 104, 3.301591968646269, 3.105072923156939, 1.0632896715641476), (438, 401, 3.112532883671786, 3.1789008328636488, 1.0213228106086931)], [(1, 10, 2.9766155957930542, 3.3798045197911324, 1.1354521304557827), (88, 245, 3.186117560709512, 3.3930475412230554, 1.0649473776690972), (196, 62, 3.190715841768162, 3.1103737829875664, 1.0258303549303407), (268, 93, 3.434482275089957, 3.091276377204276, 1.1110240095051203), (295, 447, 2.987833648265123, 3.1144256692476495, 1.042369166387838), (315, 258, 3.5591587845414234, 2.8495653270435537, 1.2490181399820999)], [(12, 463, 3.111727276895743, 3.362314470515118, 1.080529934445078), (75, 286, 2.948548325145212, 3.5543682459888606, 1.2054637923608775), (133, 268, 2.8342681908862484, 3.677456638811395, 1.2974977634919898), (178, 432, 3.7227141551470075, 3.1249274716418287, 1.1912961785289382), (293, 474, 3.1804758304375054, 2.974433989210993, 1.069270940950069)], [(29, 148, 3.2915077489049276, 3.175498448864526, 1.0365326268957502), (90, 361, 3.207385638772465, 2.9132184594383976, 1.1009766975700053), (125, 404, 3.189585314960798, 3.149710630874017, 1.0126597928380856), (256, 537, 2.9498032339900373, 3.219095949691826, 1.0912917555309378), (491, 35, 3.1828888208780963, 3.19387010806388, 1.0034501007744134)], [(13, 161, 3.018433502261906, 3.176075588889058, 1.0522264567064408), (47, 182, 2.9074090999535485, 3.4601819597784864, 1.190125586328312), (58, 107, 3.28253533143852, 3.067402408187351, 1.0701352136507905), (67, 128, 3.326475326143656, 2.844405997945784, 1.1694797889422326), (271, 302, 3.193672165296996, 2.9732652215892164, 1.0741295939922815), (471, 375, 3.1110632067527693, 3.232783051297128, 1.0391248381839873)], [(13, 283, 2.969232624117523, 3.6729268526725485, 1.2369953175238901), (58, 442, 3.276800903645684, 3.0629626023982492, 1.0698142057235707), (177, 522, 2.9885618757958388, 3.249469307542079, 1.0873020009588263), (191, 52, 3.1968346934062666, 3.1757888868798094, 1.006626953892749), (311, 285, 3.4339388333119576, 3.0203257462374817, 1.1369432047486028), (535, 239, 3.089094945862324, 3.425529336320636, 1.1089103431116443)], [(297, 231, 3.647527033142582, 2.891553304084559, 1.2614420865042149), (363, 483, 3.1312985828551896, 3.0754848317742627, 1.0181479519925734), (364, 330, 2.9898111245947003, 3.0373359699183102, 1.0158956012079365), (367, 247, 3.0855678206478374, 3.250385989238422, 1.0534158307873394), (424, 163, 3.3799451909403677, 2.8946880051608352, 1.167637128738705), (459, 2, 3.0126371025145566, 3.116380488876878, 1.0344360713992833)], [(9, 124, 3.1882368714976415, 2.8847318362692635, 1.1052108315277207), (132, 469, 3.279692083334005, 2.9518445796148325, 1.111065299976583), (257, 64, 3.1954917788659447, 3.394637143330579, 1.0623207250232105), (353, 45, 2.8149725066754336, 3.4342162407358168, 1.2199821606043777), (389, 5, 3.480052570340591, 3.085719004967335, 1.1277930896295043), (438, 31, 3.239737747426439, 3.267516251131788, 1.0085743062775423)], [(62, 196, 3.213869533024464, 3.1103737829875664, 1.0332743770549302), (218, 344, 2.952159980558611, 3.241789867054261, 1.0981077883322725), (311, 455, 3.322432720751312, 3.011513096358524, 1.1032436567414392), (346, 329, 3.2395582855693483, 3.0980453100091365, 1.0456781490906581), (349, 17, 3.1371255653115204, 3.4579590317432674, 1.1022698836091656), (535, 509, 3.067297402623201, 3.0621738495350717, 1.0016731751167254)], [(197, 167, 3.0910156202292742, 3.183681671402428, 1.0299791597838255), (340, 316, 3.369415553740101, 2.8655628893584533, 1.17583025877839), (347, 526, 3.4965771761984925, 3.014494102273366, 1.1599217173991372), (384, 498, 3.0810256359088237, 3.003036263749825, 1.0259701732877562), (403, 96, 3.6995560479066225, 2.9545018363495466, 1.2521759175745284)], [(110, 38, 3.2784801857011536, 2.828566332947847, 1.1590607395388248), (153, 259, 3.1115023796781927, 3.040832647247099, 1.0232402570707309), (159, 53, 2.9231171875187254, 3.4952607218571887, 1.1957306182528127), (454, 51, 2.9326911743662105, 3.5150334477700254, 1.19856924537227), (497, 467, 3.1796514647550387, 3.4343306579968096, 1.0800965753840543), (539, 356, 3.584041604758573, 3.016537387801347, 1.1881310071780218)], [(29, 140, 3.175498448864526, 3.2915077489049276, 1.0365326268957502), (40, 532, 2.964149625378467, 3.2513107618704047, 1.0968780840323715), (101, 240, 3.7199427084169594, 3.0224623827131674, 1.2307655935415436), (119, 306, 2.9693673480423777, 3.3277963817927, 1.1207088890455486), (210, 246, 3.3685529925674706, 2.7237751977258364, 1.2367221037110474), (299, 105, 3.5729074508533065, 3.0550982228439048, 1.1694902062845587)], [(1, 63, 3.2551179306418545, 3.1304544745456697, 1.0398227979706613), (88, 74, 3.340135863983737, 2.991722323200221, 1.116459184089926), (242, 27, 3.1735042237025324, 3.2394840724468446, 1.0207908495131395), (248, 39, 3.02177306894235, 3.3389567585642377, 1.10496608527023), (345, 56, 2.9831983446226693, 3.1857967632202504, 1.067913157354345), (486, 230, 3.035752923401623, 3.3559258782101136, 1.1054673956962644)], [(92, 52, 3.648145528192271, 2.8996357511927076, 1.2581392427278766), (264, 213, 3.0517646675947856, 3.234052364503101, 1.0597318983485), (433, 378, 2.9171697386390814, 3.376504623630983, 1.157459087453098), (456, 522, 3.163713408874697, 2.997921556710785, 1.0553022649284438), (473, 267, 3.212711828237726, 3.2173104890362794, 1.001431395358318)], [(18, 449, 3.294217853981194, 3.085273073769242, 1.0677232696153818), (59, 207, 3.225507331731531, 3.2443680594912236, 1.0058473678153346), (182, 524, 3.3427462521398987, 3.164213033402539, 1.0564226292138679), (216, 464, 3.378997929624203, 2.9098095958497163, 1.161243654720121), (283, 13, 3.214955296882028, 3.6729268526725485, 1.142450365090512), (460, 479, 3.0111434331982165, 3.005724338895261, 1.0018029245838782)], [(26, 486, 3.4189587735602154, 3.003139989722938, 1.1384613388853844), (34, 192, 3.1171613564427094, 3.3588054855493454, 1.077520571274629), (63, 201, 3.0723944714507914, 3.49976097804802, 1.1390988398685098), (65, 323, 3.520885617677185, 2.9263605379473026, 1.203161938530962), (84, 284, 3.1334339411342667, 3.1259377624169575, 1.0023980575708946), (129, 57, 3.3025898020996145, 3.1119931541549604, 1.061245844223719)], [(147, 497, 3.1115023796781927, 3.1796514647550387, 1.0219023085188494), (259, 292, 3.040832647247099, 3.5547862934695837, 1.1690174060344205), (379, 472, 3.0715219878472495, 3.348437167898343, 1.0901556886607788), (382, 11, 2.987514325396019, 3.380663794831617, 1.1315975177402648), (465, 475, 3.1547900201437886, 2.9802851928897, 1.0585530632002664), (516, 333, 3.360420558372048, 2.932606238867815, 1.1458819509534284)], [(68, 462, 3.116026228599773, 3.0832078877456577, 1.0106442192836083), (107, 490, 3.136010449901598, 3.158648319706941, 1.0072186844294646), (117, 94, 3.2348445500343246, 3.238029520920562, 1.0009845823615244), (217, 365, 3.0627772618118527, 3.634003068001854, 1.186505827019259), (413, 209, 3.098486227088526, 3.314122523483043, 1.0695940793634375), (480, 471, 3.196646151861502, 3.0108367001341865, 1.0617135601273342)], [(52, 55, 3.4578806009925485, 3.0952191523283625, 1.1171682620247991), (57, 535, 3.0088106883822476, 3.345474459818699, 1.1118926400841342), (92, 413, 3.7900227139742784, 3.1743458236989808, 1.1939539434168724), (275, 84, 3.0635402895715016, 3.274266926053315, 1.0687853321854917), (344, 334, 3.3182828120155867, 2.8722035622700584, 1.1553090649998943), (464, 216, 3.4026019884029313, 2.9098095958497163, 1.1693555458941673)], [(312, 181, 3.1734830337780044, 2.8976582478437454, 1.0951888602251527), (350, 254, 2.909995393435746, 3.4178013436710275, 1.1745040392093988), (371, 73, 3.5423003903093675, 2.952897820531345, 1.1996014104111348), (502, 474, 3.4611499249062287, 2.8864383357192165, 1.199107523647759), (507, 435, 2.7967048951454974, 3.1469051054161548, 1.1252188641277572), (512, 268, 3.0546269397946677, 3.2478332285572344, 1.0632503715087231)], [(21, 510, 3.508200462951603, 2.8353344757561993, 1.237314501322087), (49, 462, 3.0396119786127955, 3.054939485919205, 1.005042586821692), (100, 509, 3.867441398101282, 3.742351340702459, 1.0334255247598807), (173, 520, 3.2344023030080105, 2.9245051705190597, 1.1059656640764113), (418, 394, 3.1984504072422975, 2.8287032058806267, 1.1307126179208191), (504, 467, 3.0565597162645055, 3.4465568561604245, 1.127593495988537), (511, 534, 3.0762338792636443, 3.1837615376182113, 1.0349543183564138)], [(14, 518, 3.4717993803038536, 2.9764558343472927, 1.1664205933246057), (126, 331, 3.0247302443652977, 3.1340390727766527, 1.0361383725424718), (208, 236, 2.970174945965188, 3.5569558865360844, 1.1975577032484246), (427, 410, 3.295730849069048, 3.0366869423404292, 1.085304778413862), (525, 435, 3.399659710101203, 3.0832721091795516, 1.1026142324511996)], [(53, 348, 3.4952607218571887, 3.2993229664989334, 1.0593872613708304), (98, 530, 3.21574604530358, 3.1779215889423913, 1.011902262312827), (147, 539, 2.9231171875187254, 3.584041604758573, 1.2261026071968295), (172, 510, 3.3423422558139357, 3.5032056228928434, 1.0481289331752572), (402, 104, 2.984894306050817, 3.185817224560477, 1.0673132439236994), (465, 440, 3.120641116477984, 3.3739098552632516, 1.0811592007321595)], [(135, 460, 2.939341080511237, 3.308296690530383, 1.1255232380023668), (179, 60, 3.0512097312048057, 3.494459921579365, 1.1452703122441656), (207, 410, 3.3256977198315862, 3.214091474474762, 1.0347240413793957), (303, 320, 2.9943540428130055, 3.170698728151715, 1.058892396429196), (329, 346, 3.1488729823189874, 3.0980453100091365, 1.0164063682818445), (425, 426, 3.2583854758202597, 2.885298605352015, 1.129306155618069)], [(13, 141, 3.176075588889058, 3.018433502261906, 1.0522264567064408), (113, 4, 3.34798364041703, 3.1959164504516417, 1.0475817163317578), (230, 486, 3.0810536976116962, 3.3559258782101136, 1.089213693617702), (346, 395, 2.8275996074375875, 3.3367863311644963, 1.180077378136412), (354, 135, 3.023606603281613, 3.331922527861232, 1.101969589643373), (535, 57, 3.0751574581586096, 3.345474459818699, 1.087903466842948)], [(78, 171, 3.066698229696414, 3.397173782885968, 1.1077626582196414), (199, 10, 3.1436349941357413, 2.9278889446082474, 1.0736865549237424), (239, 62, 3.174032509251582, 3.1480452859286903, 1.0082550347795347), (355, 44, 3.340544281800449, 3.05019794342888, 1.0951893430382345), (508, 387, 3.196567400501707, 3.11968957298559, 1.0246427811862524), (509, 177, 3.0568194301595466, 3.342922791689961, 1.0935951135051118)], [(25, 39, 2.957286324089136, 3.1407757784455432, 1.0620465637235594), (134, 63, 3.345502973928838, 3.0716362432430757, 1.0891598838528518), (323, 41, 2.9265452057431185, 3.445453115205379, 1.1773107445748467), (333, 516, 3.401176617330192, 2.932606238867815, 1.159779506792319), (347, 175, 3.992601574032313, 2.9686098004008095, 1.3449398346300845), (424, 143, 2.8946880051608352, 3.3799451909403677, 1.167637128738705)], [(124, 9, 3.41114167505157, 2.8847318362692635, 1.1824813773550253), (266, 170, 3.067592294969673, 3.732707886210436, 1.216820074926984), (269, 405, 3.376493808194789, 2.888966924829519, 1.1687547473026327), (281, 529, 3.194291038364821, 3.00833323643055, 1.0618142297809114), (390, 381, 2.9341200768159585, 3.3843466314787767, 1.1534451702301816), (523, 485, 3.084328565224637, 3.146700520573147, 1.020222214990888)], [(230, 239, 2.8832139217596824, 3.2380845800754017, 1.1230816262496175), (354, 385, 3.138441254092852, 3.3218137458710184, 1.0584278872637904), (374, 537, 2.9362923747194083, 3.2565045223019746, 1.1090532231529449), (387, 431, 3.306649538048984, 2.853350087854791, 1.1588656968956073), (519, 404, 3.3518727086120816, 2.9272621178104443, 1.1450538331426365)], [(21, 86, 3.206937302750879, 3.383813441697338, 1.0551542241860283), (41, 355, 2.907414386585913, 3.4292607814026264, 1.1794881380598456), (171, 351, 3.066333256722596, 2.9388719636411316, 1.0433708220903728), (231, 17, 3.4025915291230717, 3.0831525375371696, 1.103607910311525), (418, 328, 3.3170847750298806, 3.2617784944761694, 1.0169558664536456), (446, 424, 3.110684708541374, 3.1657290741692012, 1.0176952570849387)], [(44, 534, 3.2660908617788658, 3.1740998023237177, 1.0289817791450044), (51, 510, 3.298687795357158, 3.0430856446771584, 1.0839943992792607), (65, 199, 3.4048959948538573, 2.9768770427598126, 1.1437811995409912), (84, 457, 3.0053580600169183, 3.286717100561865, 1.0936191411892409), (197, 146, 3.183681671402428, 3.0910156202292742, 1.0299791597838255), (430, 539, 2.9203111406261097, 3.4811857299456883, 1.1920598738664976)], [(174, 420, 3.3222692373399756, 3.028603037637261, 1.0969642426073165), (219, 288, 2.860138991215845, 3.6086836458650424, 1.2617161812583768), (369, 318, 3.3536889089337403, 2.985247183390596, 1.123420843537879), (370, 173, 2.9894057925463793, 3.0946842194410475, 1.0352171749841268), (462, 68, 3.461591956464979, 3.0832078877456577, 1.1227241504613508), (485, 523, 3.2001342499988508, 3.146700520573147, 1.0169808753887934)], [(13, 115, 3.1659410096102434, 2.971593517427857, 1.0654017755263543), (113, 508, 3.2704644466536408, 3.1317016777688336, 1.044309063621816), (177, 217, 3.1972546494587193, 2.9363640599676897, 1.088848175554192), (183, 18, 3.027145077130417, 3.9697454362400424, 1.3113826179758663), (471, 357, 3.079449136784337, 3.2090211368760597, 1.0420763566262459), (501, 69, 3.0717759742918753, 3.2904890729532625, 1.0712008624625715)], [(22, 448, 3.130159813213813, 3.0202977558449122, 1.0363745783528444), (260, 119, 3.0517971772915495, 3.5295764403472374, 1.1565566894847559), (266, 164, 3.732707886210436, 3.067592294969673, 1.216820074926984), (461, 20, 3.0112431873090935, 2.9941942547357097, 1.0056939968228242), (532, 399, 2.9135546556875407, 3.0041987741071012, 1.0311111783136158)], [(78, 162, 3.397173782885968, 3.066698229696414, 1.1077626582196414), (166, 21, 3.066333256722596, 3.206937302750879, 1.0458541307341673), (296, 300, 2.819462194035446, 3.530570332397716, 1.2522141066004058), (351, 38, 2.9388719636411316, 3.48211300565591, 1.184846787725222), (394, 69, 3.524441809197798, 3.1378152343196124, 1.1232152137734202), (489, 503, 3.195103419418893, 2.929382320517427, 1.090708917385195)], [(86, 504, 2.8904003288323894, 3.8935704552319867, 1.3470696139883294), (159, 98, 3.3423422558139357, 3.21574604530358, 1.0393676020204525), (200, 187, 2.9401232616568467, 3.315434297451441, 1.1276514630148857), (337, 109, 3.2353000717461717, 3.098682299497014, 1.0440889897848946), (454, 430, 3.2812755239513693, 2.9988308382176925, 1.094184934386477), (510, 446, 3.5032056228928434, 3.019743956840392, 1.1601002180854783)], [(157, 511, 3.2344023030080105, 3.0762338792636443, 1.0514162544046315), (273, 224, 3.1530476263692866, 3.1480692910314505, 1.001581393189794), (370, 168, 3.0946842194410475, 2.9894057925463793, 1.0352171749841268), (391, 104, 3.356642030605456, 3.02615423982134, 1.1092104911359797), (407, 32, 3.087396935437208, 3.2410708053103465, 1.049774574856011), (520, 215, 2.9245051705190597, 3.496684518530334, 1.19564996970401)], [(112, 234, 3.011192002735864, 3.266707681747268, 1.0848553259902562), (168, 370, 3.3222692373399756, 2.9894057925463793, 1.111347695125078), (181, 79, 3.4171870343650457, 3.0450987338632114, 1.1221925241254094), (237, 202, 3.1034638143259983, 3.2231624662351823, 1.038569372504567), (330, 502, 3.410976762988592, 2.89350683377068, 1.1788383297313902), (420, 424, 3.028603037637261, 3.225967083572584, 1.0651666935159965)], [(112, 383, 3.3267863922226293, 3.0284949428780124, 1.098494947150596), (213, 255, 2.987684561939487, 3.230982586641851, 1.0814336385446341), (237, 476, 3.2294285979661566, 2.902045101487362, 1.1128113054862598), (347, 163, 2.9686098004008095, 3.992601574032313, 1.3449398346300845), (403, 505, 3.1072716813554093, 3.3341533033763313, 1.0730163452981218), (444, 433, 3.3146274966796736, 3.2145020843237644, 1.0311480315549313)], [(90, 348, 2.905531477377357, 3.460921519198629, 1.1911492083791113), (195, 406, 3.5593456951059057, 2.8245756504933506, 1.260134666417668), (220, 342, 3.1616155406872832, 2.9246402355738406, 1.0810271643776883), (238, 440, 3.262602681808449, 3.3443852435961494, 1.0250666629570624), (421, 184, 3.125325264365802, 3.0823420509621258, 1.013944984915045)], [(142, 311, 2.9885618757958388, 3.4339388333119576, 1.1490271829816197), (169, 183, 3.1972546494587193, 3.027145077130417, 1.0561947207662599), (217, 92, 2.9363640599676897, 3.126436143745149, 1.0647304216696996), (480, 27, 3.0629140493906934, 3.3331643809653517, 1.0882330771339859), (509, 162, 3.342922791689961, 3.0568194301595466, 1.0935951135051118), (522, 328, 3.249469307542079, 3.3462948556511924, 1.0297973419488466)], [(33, 233, 3.175564369794431, 3.1705519308351504, 1.0015809357703724), (139, 133, 3.7227141551470075, 2.8342681908862484, 1.313465735923512), (195, 253, 3.254871878877083, 3.3618227097050295, 1.0328586914655589), (232, 536, 3.3193961011549935, 3.230791796494345, 1.027424950365663), (531, 336, 3.185339147081731, 3.1407232747039346, 1.0142056044023815)], [(29, 263, 2.9089835298407305, 3.2527051357101393, 1.118158663444969), (60, 16, 3.494459921579365, 2.892993229604277, 1.20790463172199), (71, 46, 3.5383050937522866, 2.96001240251731, 1.1953683338431873), (125, 188, 3.426514514221372, 2.8411066681526678, 1.2060492316711733), (160, 329, 3.0512097312048057, 3.1488729823189874, 1.0320080426184333), (299, 80, 3.0235727713247336, 3.299104346262454, 1.0911278132779985)], [(80, 137, 3.070815142469946, 3.042575567561341, 1.009281470346927), (105, 71, 3.003252404306952, 3.260562029233435, 1.0856769895721972), (229, 222, 3.481597715289835, 2.91840525025631, 1.192979527083863), (233, 33, 3.1340477576381454, 3.1705519308351504, 1.011647612295645), (322, 52, 3.0837141854361168, 3.017535830608052, 1.0219312573381205), (362, 267, 3.015138496149572, 3.422718168388607, 1.13517776140616)], [(79, 281, 3.0450987338632114, 3.478460778163109, 1.142314611832013), (174, 112, 3.4171870343650457, 3.011192002735864, 1.1348286762386155), (312, 156, 2.8976582478437454, 3.1734830337780044, 1.0951888602251527), (386, 503, 3.0894464651200884, 3.167594299848571, 1.0252950927005122), (476, 24, 3.5647963538210146, 2.8066976209087193, 1.2701034579802177), (485, 360, 3.301182238128192, 3.073577049139953, 1.0740522151712213)], [(28, 186, 3.1693985513724354, 3.3471396254720545, 1.0560803796741347), (47, 141, 3.4601819597784864, 2.9074090999535485, 1.190125586328312), (151, 460, 3.3427462521398987, 3.0111434331982165, 1.11012521532044), (229, 410, 3.2247423617637536, 2.9864000926493626, 1.079809222381502), (362, 359, 2.96734800702388, 3.2332423573305014, 1.0896067295366887), (524, 236, 3.164213033402539, 3.15151015189195, 1.0040307284122068)], [(18, 343, 3.9697454362400424, 2.88205664816274, 1.3774002113284918), (169, 177, 3.027145077130417, 3.1972546494587193, 1.0561947207662599), (226, 279, 2.9189783532410742, 3.2858014365811354, 1.1256683123164517), (366, 477, 3.1674241905261806, 2.9792715731147723, 1.0631538994663379)], [(42, 316, 2.8629129738292907, 3.162126716443487, 1.1045137401483716), (82, 205, 2.880462730763372, 3.4863663348362106, 1.210349398935727), (258, 371, 3.03577605706026, 2.970155669117857, 1.0220932487225132), (326, 295, 3.528025370917465, 3.007889682584272, 1.1729237915023238), (421, 176, 3.0823420509621258, 3.125325264365802, 1.013944984915045)], [(11, 382, 2.9835662994666445, 3.380663794831617, 1.1330949124328022), (251, 448, 2.906445751749418, 3.3976232712963927, 1.168995935758075), (351, 20, 3.229131495583902, 3.0476135717573363, 1.059560675772256), (441, 338, 3.0743803175583073, 3.3310830782579157, 1.08349739921035), (489, 446, 3.284938671259404, 2.773626144831022, 1.1843480338477748), (521, 77, 3.107583792498345, 3.2656070472777854, 1.050850842754717)], [(28, 182, 3.3471396254720545, 3.1693985513724354, 1.0560803796741347), (30, 469, 2.985424835075639, 3.10832802994952, 1.0411677404937134), (70, 124, 2.938788473021369, 3.323455581425549, 1.1308930914679627), (309, 241, 3.5295348215655666, 3.0660693898905955, 1.1511594725165397), (381, 375, 3.4709898351454567, 2.8698072605774385, 1.2094853486596355), (449, 324, 3.0011543505702614, 3.298521965913676, 1.0990844123984862)], [(16, 228, 3.1927847348862914, 3.245796314530629, 1.016603555844245), (200, 172, 3.315434297451441, 2.9401232616568467, 1.1276514630148857), (205, 214, 3.071251954799175, 3.34524106820175, 1.0892108877535873), (246, 249, 2.898755790494772, 3.4561891642112825, 1.192300909081191), (348, 29, 3.2644519455338115, 3.0442734927040664, 1.072325450836604), (361, 421, 3.2483343648453022, 3.427308552710056, 1.0550972183780338)], [(125, 179, 2.8411066681526678, 3.426514514221372, 1.2060492316711733), (193, 472, 3.2073873849490195, 3.060664614438363, 1.0479382059107383), (195, 308, 3.3221297840003476, 2.9107983575516987, 1.1413122366863722), (220, 252, 2.914746170069079, 3.618258504629908, 1.2413631560048182), (320, 415, 2.9341048773387417, 3.4035965528464205, 1.1600118929400751), (432, 208, 3.42585678924275, 2.9855109693324553, 1.1474942897325056)], [(136, 74, 3.089841060776554, 2.8883012854260763, 1.069777961311521), (204, 131, 3.5539036708948775, 3.0359070108694097, 1.1706233617073556), (211, 230, 2.948189460036143, 3.136460660056166, 1.0638599393194068), (414, 310, 3.5818481840801604, 2.9114248400587095, 1.2302732788416861), (537, 256, 2.999315348624523, 3.219095949691826, 1.0732769234045674)], [(64, 370, 2.8941873122502497, 3.314433775477454, 1.1452036160370214), (215, 334, 3.5976678374446123, 3.4317090643370167, 1.0483603854511652), (254, 227, 3.210753938262146, 2.962856358147407, 1.0836684436061363), (288, 502, 3.0720014677038416, 3.3624883812011683, 1.094559496976559), (291, 55, 3.403744249819916, 3.0145882945515963, 1.129090913001838), (396, 438, 2.8824299455578726, 3.660284789151241, 1.26986079741231)], [(52, 322, 3.1757888868798094, 3.017535830608052, 1.0524444663312806), (57, 129, 3.24503007244727, 3.1119931541549604, 1.0427497464493731), (107, 93, 3.123001280810733, 3.3306042705064445, 1.0664754737602342), (142, 13, 3.1968346934062666, 2.969232624117523, 1.0766534987659946), (217, 456, 3.454395092767328, 2.8585769726262877, 1.2084317217435774), (513, 335, 2.9215310517796964, 3.5890192385511375, 1.2284720493950698)], [(34, 152, 3.3588054855493454, 3.1171613564427094, 1.077520571274629), (82, 363, 2.988749157646431, 3.1182711826832055, 1.0433365325107344), (247, 136, 3.550500126099675, 2.8707040336162977, 1.2368046599450453), (287, 253, 2.9687921568310376, 3.54265057799015, 1.193296933851935), (310, 478, 3.2169178556324765, 3.186924079010081, 1.0094115127561218), (326, 133, 3.058801698898756, 3.6883569228258617, 1.205817599798562)], [(36, 8, 3.150530354474014, 2.9051824962686053, 1.084451788664062), (188, 220, 3.2073873849490195, 2.914746170069079, 1.100400239954001), (244, 236, 3.170659141190159, 2.9833897587558273, 1.0627706728176305), (404, 71, 3.5385316786672907, 2.9780131805371033, 1.1882189446955687), (406, 447, 2.7199861888244623, 3.349977071083289, 1.2316154710076301), (472, 379, 3.060664614438363, 3.348437167898343, 1.0940228968905783)], [(33, 126, 3.0216199233128562, 3.5425560604879798, 1.1724029329949537), (236, 15, 3.422904152826007, 3.0592673672961133, 1.118864009539411), (265, 255, 3.543154040211609, 2.9908871878049306, 1.1846498439187196), (280, 362, 3.3808066626868283, 3.1229014127964048, 1.0825851398425934), (496, 505, 3.3400228459626757, 3.13278416266613, 1.0661515995152941), (531, 406, 2.88767197657496, 3.160786186448746, 1.0945793746967494)], [(176, 238, 3.5593456951059057, 3.262602681808449, 1.0909528502971049), (178, 33, 3.254871878877083, 3.175564369794431, 1.0249743037291308), (188, 320, 3.3221297840003476, 2.9341048773387417, 1.1322464338812415), (253, 60, 3.3618227097050295, 2.878770210330181, 1.1677982138489076), (308, 326, 2.9107983575516987, 3.525171188960263, 1.211066778231014), (406, 429, 2.8245756504933506, 3.272915854643634, 1.158728339979839)], [(26, 199, 3.3372922511155165, 3.1670244662786793, 1.0537626995464628), (34, 457, 2.8866751297091824, 3.1565278644537402, 1.0934821975522213), (62, 145, 3.1103737829875664, 3.213869533024464, 1.0332743770549302), (243, 415, 3.415431252338681, 2.8907404467069613, 1.1815074079824186), (247, 367, 2.852041702288446, 3.250385989238422, 1.1396698676005856)], [(134, 10, 2.8531216415113043, 3.5651044108211516, 1.2495451855087079), (146, 403, 3.0910156202292742, 3.6995560479066225, 1.1968739412686016), (167, 44, 3.183681671402428, 3.2660908617788658, 1.0258848713163387), (278, 447, 3.0723075884555997, 2.907141659495836, 1.0568138564628486), (290, 379, 3.4259981458165476, 3.0945099510617884, 1.107121385937382), (333, 118, 3.2705462574969792, 3.288114951185095, 1.0053717918368663)], [(6, 122, 3.045622388587091, 3.0903527402931243, 1.0146867687450856), (89, 269, 2.9659968409869086, 3.486821410172158, 1.1755984908641877), (219, 3, 3.3708741864174394, 3.0698019639035174, 1.098075454395463), (312, 206, 3.1940000634227967, 3.0685606306227906, 1.040878916175936), (350, 393, 3.0174072964615104, 3.288349748425666, 1.0897931320978402), (485, 301, 3.2722066794872653, 3.0018180010786932, 1.0900749740028906)], [(10, 506, 2.9278889446082474, 3.2516528233106405, 1.1105792893199071), (26, 196, 3.1670244662786793, 3.3372922511155165, 1.0537626995464628), (65, 167, 2.9768770427598126, 3.4048959948538573, 1.1437811995409912), (77, 388, 3.399384245430149, 2.985766560918502, 1.1385298133905042), (162, 509, 3.1436349941357413, 3.0568194301595466, 1.0284006189962172), (416, 489, 3.6331585286290076, 2.98156925142103, 1.2185390384266361)], [(53, 263, 3.037308634563409, 3.4841151475264738, 1.1471060622152711), (172, 454, 2.9401232616568467, 3.2812755239513693, 1.1160333196718675), (187, 16, 3.315434297451441, 3.1927847348862914, 1.0384146044125702), (224, 297, 3.032407579016425, 3.040668334962137, 1.0027241575317494), (274, 391, 3.2474391015351878, 3.2101355137372476, 1.0116205648136365), (483, 400, 3.225277419614823, 2.97744842648178, 1.0832353604948528)], [(63, 152, 3.49976097804802, 3.0723944714507914, 1.1390988398685098), (83, 133, 3.137631146705446, 3.0752035398452353, 1.0203003170526241), (134, 65, 3.31327730607646, 3.0607587106275296, 1.0825019608935975), (213, 264, 3.132714764040242, 3.234052364503101, 1.0323481734200928), (463, 336, 3.0455962777832166, 3.715348803558551, 1.2199085054906962), (506, 500, 3.081895517744509, 3.07818936967174, 1.0012040026222182)], [(24, 358, 3.163734676694957, 2.87742930552752, 1.0995004014929042), (68, 456, 3.1449007720146405, 2.999811588522652, 1.0483660987400352), (117, 93, 2.9607226342498714, 3.162124490867587, 1.0680245607230758), (213, 481, 3.0248307292823786, 3.276017620252854, 1.0830416355331287), (237, 174, 3.2231624662351823, 3.1034638143259983, 1.038569372504567), (506, 10, 3.3723670953921556, 3.2516528233106405, 1.0371239731425606)], [(358, 375, 3.289238619241666, 3.146759004845712, 1.0452782097950777), (423, 241, 3.0729890156694966, 3.1523943164629853, 1.0258397606983274), (482, 388, 3.346759033695243, 3.1855367826808774, 1.050610701433711), (500, 506, 3.0799489299440057, 3.07818936967174, 1.0005716218402942), (528, 338, 2.8657481118419277, 3.5687633935730907, 1.245316494784082), (538, 128, 3.4371961929223307, 2.878920604129509, 1.1939183692638256)], [(73, 371, 3.241952225849331, 2.952897820531345, 1.0978883872337897), (131, 489, 3.0359070108694097, 3.199312171197943, 1.053824165148503), (189, 211, 3.5539036708948775, 2.948189460036143, 1.2054529463148236), (214, 205, 2.878342707480302, 3.34524106820175, 1.162210830387939), (300, 304, 3.008710102342345, 3.5066457234995747, 1.1654980387673695), (448, 380, 3.375592196038874, 2.865991172318017, 1.177809697616302)], [(82, 184, 3.4863663348362106, 2.880462730763372, 1.210349398935727), (187, 348, 3.071251954799175, 3.2644519455338115, 1.0629059398506007), (214, 204, 3.34524106820175, 2.878342707480302, 1.162210830387939), (224, 510, 2.9343711035554043, 3.284753526381704, 1.1194063090390176), (310, 314, 3.4384744971873773, 3.0029577502969054, 1.1450292621823974)], [(0, 99, 2.8675345151801683, 3.473728477611225, 1.2113990116673345), (312, 198, 3.0685606306227906, 3.1940000634227967, 1.040878916175936), (364, 42, 3.1418041578635356, 3.2040972148680726, 1.0198271610433214), (371, 74, 2.893935180896006, 3.5802724869024773, 1.237164021688271), (386, 517, 3.2875798487998757, 3.05617795148539, 1.075716107173019), (459, 131, 3.0415664165780254, 3.259043638617252, 1.0715017172907584)], [(40, 260, 3.024758973861427, 2.9757449671413876, 1.0164711718447847), (59, 151, 3.2443680594912236, 3.225507331731531, 1.0058473678153346), (160, 303, 3.3256977198315862, 2.9943540428130055, 1.1106561456264217), (299, 409, 3.167605438785687, 3.040957046472888, 1.0416475439729391), (399, 468, 3.0295404923234535, 3.205259789319713, 1.05800196347978), (410, 427, 3.214091474474762, 3.0366869423404292, 1.058420421829062)], [(33, 75, 3.520439616344382, 3.0305463916862316, 1.161651782002772), (61, 341, 2.999047205943419, 3.379598187480926, 1.1268906273910404), (158, 14, 2.970174945965188, 3.4717993803038536, 1.168887167747507), (235, 229, 3.409699540178146, 3.079502894572144, 1.1072240088450633), (236, 305, 3.5569558865360844, 2.97355384989083, 1.1961968964061886), (432, 188, 2.9855109693324553, 3.42585678924275, 1.1474942897325056)], [(265, 12, 2.872580339488628, 3.538367548005047, 1.231773224708118), (280, 524, 3.0198675452235997, 3.560537386519781, 1.1790376012190789), (286, 262, 2.8875955544377367, 3.0620821207452087, 1.0604262484194908), (397, 96, 3.45691442261032, 2.974564914733546, 1.162158003507542), (413, 154, 3.314122523483043, 3.098486227088526, 1.0695940793634375)], [(45, 402, 3.0321108513094845, 3.108107611415448, 1.0250639781435242), (137, 438, 3.7405267779509352, 3.112532883671786, 1.2017629749627958), (148, 40, 3.3685529925674706, 2.964149625378467, 1.136431495807965), (246, 223, 2.7237751977258364, 3.244814784700271, 1.1912931681768255), (348, 90, 3.118018677582383, 3.460921519198629, 1.1099745951111886), (409, 48, 3.3056241653773113, 3.0359950620756333, 1.0888107845331407)], [(62, 314, 2.895029503481432, 3.1320717708240733, 1.0818790506478724), (189, 204, 2.948189460036143, 3.5539036708948775, 1.2054529463148236), (230, 508, 3.136460660056166, 2.976468446276127, 1.053752363469603), (243, 88, 3.1330579498590096, 3.1138555369376864, 1.006166764223175), (346, 115, 3.252580874895862, 3.742689264607889, 1.1506829218282602), (374, 303, 3.316338328284098, 2.9422319968455835, 1.127150521046471)], [(110, 98, 3.1962993527197385, 3.187656288969435, 1.002711416466139), (431, 533, 3.3126500761638735, 2.964039885966948, 1.117613191322896), (458, 411, 3.08547297622838, 3.4367751173775245, 1.113856819961058), (466, 18, 3.3897054178830555, 2.9940080841216705, 1.1321630812755363), (479, 519, 3.0313304458151533, 3.1714219869932405, 1.0462145396822335), (539, 430, 2.833145830699028, 3.4811857299456883, 1.2287351015343846)], [(175, 112, 2.987684561939487, 3.3267863922226293, 1.1134998769960542), (202, 24, 3.0248307292823786, 3.163734676694957, 1.0459212299279743), (255, 398, 3.230982586641851, 2.983470831116972, 1.082961010693781), (264, 150, 3.234052364503101, 3.0517646675947856, 1.0597318983485), (481, 496, 3.276017620252854, 2.984871923918773, 1.0975404318024613)], [(17, 122, 3.7720150513603423, 2.9503508957347497, 1.2784970956551143), (204, 448, 2.878342707480302, 3.375592196038874, 1.1727554843508763), (205, 187, 3.34524106820175, 3.071251954799175, 1.0892108877535873), (297, 446, 3.449564986585881, 2.9193179814989922, 1.1816338639529158), (367, 258, 2.95442797688108, 3.3088360599557882, 1.1199582747821284), (414, 62, 3.121886577927251, 3.3000992697356835, 1.0570849348174447)], [(37, 52, 2.876625767784697, 3.147683005536353, 1.0942274941659855), (190, 288, 3.5976678374446123, 3.0720014677038416, 1.1711152729798917), (335, 285, 2.9805856754573985, 3.140999542418886, 1.0538195792465757), (520, 173, 3.496684518530334, 2.9245051705190597, 1.19564996970401)], [(46, 356, 3.096390401316349, 3.411824626277363, 1.101871593719873), (105, 299, 3.3961414617425776, 3.0550982228439048, 1.1116308589846926), (151, 283, 3.378997929624203, 3.214955296882028, 1.0510248565201727), (343, 272, 3.2962451021039727, 3.178924956809618, 1.0369056039033075), (362, 280, 3.0213073853775305, 3.1229014127964048, 1.0336258494950123), (464, 155, 2.9098095958497163, 3.4026019884029313, 1.1693555458941673)], [(92, 359, 3.126436143745149, 3.124443377854147, 1.0006377986892407), (154, 117, 3.0627772618118527, 3.2348445500343246, 1.0561801507304784), (177, 169, 2.9363640599676897, 3.1972546494587193, 1.088848175554192), (191, 513, 3.454395092767328, 2.9215310517796964, 1.1823920511346369), (365, 355, 3.634003068001854, 3.243894348882502, 1.1202593787475665), (456, 49, 2.8585769726262877, 3.4467780534866264, 1.205767095478956)], [(57, 365, 3.0483891808498598, 3.125629006355453, 1.0253379148537916), (145, 346, 2.952159980558611, 3.2395582855693483, 1.097351873510715), (314, 34, 3.089808114125526, 3.0895549219632876, 1.000081951015157), (344, 48, 3.241789867054261, 2.9180771418688347, 1.1109335735305852), (478, 223, 3.2861077443789393, 2.9138176282118526, 1.1277671301602885), (513, 490, 3.315143376395405, 3.28780308559798, 1.0083156716158541)], [(3, 389, 3.0698019639035174, 3.1549015481471754, 1.027721522510021), (64, 520, 3.283238194919659, 3.0854885892292208, 1.064090208072958), (168, 462, 2.860138991215845, 3.461591956464979, 1.2102880199515955), (198, 89, 3.3708741864174394, 2.9659968409869086, 1.1365063306324397), (288, 352, 3.6086836458650424, 2.80915442138788, 1.2846156189883466), (330, 364, 3.495315045832326, 3.0373359699183102, 1.1507831469583305)], [(140, 29, 2.9756658500494986, 3.2915077489049276, 1.106141588058409), (176, 421, 3.1616155406872832, 3.125325264365802, 1.0116116798258583), (188, 193, 2.914746170069079, 3.2073873849490195, 1.100400239954001), (252, 419, 3.618258504629908, 2.8209730184315753, 1.282627831244417), (342, 392, 2.9246402355738406, 3.044790592107404, 1.0410820979182722), (492, 525, 3.82950071355407, 3.038244680856133, 1.2604319651026172)], [(372, 454, 2.72654208085076, 3.3720772235472243, 1.2367596477715241), (488, 464, 3.1150210505654576, 2.9472576128192305, 1.0569218778217868)], [(47, 226, 3.072079666271771, 3.2832403619994173, 1.0687354231226391), (229, 180, 2.91840525025631, 3.481597715289835, 1.192979527083863), (271, 455, 3.4425956546298444, 3.061968179555648, 1.124308109279383), (339, 61, 3.3101128367031714, 3.0259542005620568, 1.093907117327927), (385, 354, 3.0857804099344457, 3.3218137458710184, 1.0764906456650902), (434, 515, 3.173408548510842, 2.980913406047323, 1.0645758920983774)], [(17, 300, 3.1649698675555653, 3.498362568036368, 1.1053383489992894), (205, 82, 3.0952362150380393, 3.4863663348362106, 1.1263651923875426), (246, 210, 3.244814784700271, 2.7237751977258364, 1.1912931681768255), (273, 21, 3.7614635037691992, 2.8675582106300412, 1.3117304785044817), (478, 218, 2.9138176282118526, 3.2861077443789393, 1.1277671301602885)], [(200, 53, 3.032407579016425, 3.037308634563409, 1.0016162258599068), (205, 310, 2.9343711035554043, 3.4384744971873773, 1.1717926519318502), (273, 173, 3.1480692910314505, 3.1530476263692866, 1.001581393189794), (297, 131, 3.040668334962137, 3.4697075027154467, 1.1411002847039062), (363, 42, 3.3473518933602904, 2.8056164804160364, 1.1930896174604455), (510, 51, 3.284753526381704, 3.0430856446771584, 1.079415405914474)], [(3, 369, 3.0629574486549846, 3.4965535415377267, 1.1415612525316485), (288, 350, 3.2467974565804463, 3.00495655811838, 1.0804806637915259), (331, 75, 3.2575635316482447, 3.0997946146784106, 1.0508965710898244), (396, 95, 3.135638599010506, 2.9816158304041585, 1.0516574828439482), (401, 14, 3.1195086569446957, 3.3724089410369094, 1.0810705504949323), (474, 42, 2.8235328067957193, 3.725014117288715, 1.3192742469020715)], [(28, 267, 3.2049530458481486, 3.10231849511714, 1.0330831766282376), (47, 222, 3.2832403619994173, 3.072079666271771, 1.0687354231226391), (279, 121, 3.2858014365811354, 3.3357559212122108, 1.0152031355501059), (381, 390, 3.0027611703910564, 3.3843466314787767, 1.1270781921820394), (471, 480, 3.205020457075717, 3.0108367001341865, 1.0644949481759924)], [(254, 190, 2.962856358147407, 3.210753938262146, 1.0836684436061363), (277, 507, 3.0687639058669465, 3.377987884291869, 1.1007649946070273), (285, 349, 3.2359940073884235, 3.100394308524693, 1.0437362752508261), (302, 434, 3.2958706371335587, 2.9016360122181775, 1.1358663261881718), (453, 54, 3.1330831755778297, 3.3527425620921076, 1.070109656911284), (455, 58, 3.0655946913007805, 3.0175109184766953, 1.0159349126227384)], [(16, 187, 3.245796314530629, 3.1927847348862914, 1.016603555844245), (123, 71, 3.5808298907629754, 2.987055561154018, 1.1987824857799292), (275, 44, 3.264229398632157, 3.2488882477997443, 1.0047219693822347), (314, 62, 2.8758463135908254, 3.1320717708240733, 1.089095671080323), (344, 37, 3.1328416909197405, 3.588840422510059, 1.1455543486005022), (457, 447, 3.162972285844094, 3.3950573920852594, 1.0733756369854595)], [(59, 135, 3.1877120932423804, 2.9340395938380768, 1.0864584445066978), (180, 322, 3.481597715289835, 3.0837141854361168, 1.1290273695703894), (182, 28, 3.2247423617637536, 3.1693985513724354, 1.0174619283420046), (222, 271, 2.91840525025631, 3.4425956546298444, 1.1796153581917719), (235, 208, 3.079502894572144, 3.409699540178146, 1.1072240088450633), (410, 101, 2.9864000926493626, 3.1810761909498813, 1.0651875476362624)], [(161, 13, 3.0810536976116962, 3.176075588889058, 1.030840712497487), (165, 519, 2.8832139217596824, 3.3518727086120816, 1.1625473515216544), (211, 189, 3.136460660056166, 2.948189460036143, 1.0638599393194068), (239, 129, 3.2380845800754017, 2.897125954566208, 1.1176885751107242), (486, 149, 3.3559258782101136, 3.035752923401623, 1.1054673956962644), (508, 533, 2.976468446276127, 3.174059134900897, 1.0663842712231593)], [(17, 349, 3.0831525375371696, 3.4579590317432674, 1.1215659911868954), (166, 41, 3.4025915291230717, 2.907414386585913, 1.1703152962377097), (273, 274, 3.536002389172755, 2.927402073541498, 1.2078977538247717), (296, 307, 2.8663004191972963, 3.2052241607367087, 1.1182443191472329), (297, 143, 2.891553304084559, 3.647527033142582, 1.2614420865042149), (407, 360, 3.22917791183968, 3.10654096819586, 1.0394770083186904)], [(114, 492, 3.307199283896692, 2.8307377082945337, 1.1683171048331489), (126, 31, 2.9247999932243465, 3.606139440288883, 1.2329524920141348), (178, 531, 3.3193961011549935, 3.185339147081731, 1.042085614084792), (293, 85, 3.099990454425687, 3.28975875278027, 1.0612157686110488), (536, 5, 3.230791796494345, 2.9237407698223867, 1.1050199216843055)], [(31, 438, 2.9496629943236368, 3.267516251131788, 1.1077591770381332), (33, 178, 3.1705519308351504, 3.175564369794431, 1.0015809357703724), (180, 105, 3.1340477576381454, 3.003252404306952, 1.0435512357015415), (235, 339, 2.9933460387622945, 3.813324297458974, 1.2739336675674586), (280, 103, 3.022066890585477, 3.1032296190093924, 1.0268566948920814), (286, 55, 3.692140697545869, 2.88053965307213, 1.281753123449683)], [(5, 536, 3.1747895988805253, 2.9237407698223867, 1.0858656251776349), (112, 174, 3.266707681747268, 3.011192002735864, 1.0848553259902562), (292, 97, 3.0142275902274607, 3.163031138245725, 1.049367057915834), (318, 132, 3.134770912191493, 3.1044817962266333, 1.0097565770885417), (403, 481, 3.3977882959836343, 3.0556383773337377, 1.1119733019417195), (514, 516, 2.922832941983249, 3.328337790845077, 1.1387369230164341)], [(208, 432, 3.409699540178146, 2.9855109693324553, 1.1420824023770166), (229, 59, 3.079502894572144, 3.1877120932423804, 1.0351385279945549), (233, 286, 2.9933460387622945, 3.692140697545869, 1.2334493405488514), (339, 493, 3.813324297458974, 2.875861860153412, 1.3259761709331732), (427, 240, 3.144064388841977, 2.809290099124834, 1.1191668634796506), (524, 66, 3.019026654169993, 3.2853184474249453, 1.0882045187932143)], [(15, 128, 3.0592673672961133, 3.038507275641341, 1.0068323323828114), (194, 265, 3.422904152826007, 3.543154040211609, 1.035130953721366), (208, 158, 3.5569558865360844, 2.970174945965188, 1.1975577032484246), (244, 193, 2.9833897587558273, 3.170659141190159, 1.0627706728176305), (305, 241, 2.97355384989083, 2.928901964930394, 1.0152452644353007), (524, 182, 3.15151015189195, 3.164213033402539, 1.0040307284122068)], [(174, 330, 3.1034638143259983, 3.410976762988592, 1.099087009567527), (175, 403, 3.2294285979661566, 3.1072716813554093, 1.0393132397606963), (202, 117, 3.2231624662351823, 2.9607226342498714, 1.0886404653206574), (462, 49, 3.29331922587049, 3.054939485919205, 1.0780309204323106), (476, 106, 2.902045101487362, 3.3444066323344708, 1.1524309634679313), (526, 25, 3.273137615172774, 3.3131349517058823, 1.0122198762275374)], [(176, 195, 3.262602681808449, 3.5593456951059057, 1.0909528502971049), (252, 376, 3.348906509518689, 3.002209529518101, 1.1154806073965924), (321, 14, 3.411229790093119, 3.0739316644302273, 1.1097285699503057), (400, 42, 3.035598205147131, 3.3520239412124013, 1.1042383460132312), (440, 259, 3.3443852435961494, 2.90106176636602, 1.1528142152538357), (475, 53, 2.9452721120778285, 2.923933570547004, 1.007297888620237)], [(26, 1, 2.9063389361475354, 3.3279022062705366, 1.1450495896675423), (62, 414, 3.1480452859286903, 3.3000992697356835, 1.0483010789224199), (129, 275, 2.897125954566208, 3.5480032285932936, 1.2246630917103303), (162, 78, 3.174032509251582, 3.066698229696414, 1.0349999483208994), (230, 165, 3.2380845800754017, 2.8832139217596824, 1.1230816262496175), (535, 142, 3.425529336320636, 3.089094945862324, 1.1089103431116443)], [(9, 417, 3.4029994978804954, 3.0623682304285205, 1.1112313222385768), (14, 321, 3.1261454948224388, 3.0739316644302273, 1.0169860088291487), (101, 148, 3.0224623827131674, 3.7199427084169594, 1.2307655935415436), (102, 269, 3.3381177300953238, 2.8892631318875877, 1.1553526202767466), (427, 235, 2.809290099124834, 3.144064388841977, 1.1191668634796506), (438, 396, 3.007080393963774, 3.660284789151241, 1.2172221256533977)], [(97, 436, 3.218991588390329, 2.921272624069847, 1.1019141321721992), (305, 236, 2.928901964930394, 2.97355384989083, 1.0152452644353007), (309, 186, 3.0660693898905955, 3.5295348215655666, 1.1511594725165397), (423, 203, 3.1523943164629853, 3.0729890156694966, 1.0258397606983274), (498, 379, 3.3962704448202237, 2.9114306965063483, 1.1665297233060268), (505, 403, 3.095169577403205, 3.3341533033763313, 1.0772118360550795)], [(27, 480, 3.2394840724468446, 3.3331643809653517, 1.028918280325962), (94, 83, 3.4075559351677263, 2.867031536624152, 1.18853102647766), (149, 486, 3.1735042237025324, 3.035752923401623, 1.0453763213860487), (484, 43, 3.5563582499848794, 2.838550026015317, 1.2528784828137072), (500, 517, 2.992581283359904, 3.5945960477628978, 1.2011690602191714), (538, 121, 2.905957443141829, 3.1944587443144403, 1.0992792588389364)], [(88, 484, 3.1138555369376864, 3.059134699492522, 1.0178876848588072), (136, 73, 3.117601552007677, 3.0250031822478287, 1.0306109991233265), (196, 34, 3.415431252338681, 2.8866751297091824, 1.1831713299455238), (211, 346, 3.1330579498590096, 3.252580874895862, 1.038148967222975), (415, 320, 2.8907404467069613, 3.4035965528464205, 1.1774134051791776), (486, 77, 3.216672771382615, 3.2614726317137017, 1.0139273912875604)], [(56, 345, 3.0145031775174886, 3.1857967632202504, 1.0568231564591768), (193, 404, 3.170659141190159, 3.5385316786672907, 1.1160239940957655), (236, 524, 2.9833897587558273, 3.15151015189195, 1.0563521385842105), (432, 114, 3.3911979509571, 3.1727956403744177, 1.068835921167904), (439, 498, 3.3972336288700835, 3.0057396306022124, 1.130248806078201), (531, 12, 3.708078687206466, 2.901443117861705, 1.2780118501648354)], [(88, 138, 3.3930475412230554, 3.186117560709512, 1.0649473776690972), (127, 443, 3.3713278169596106, 2.9442968584178857, 1.1450366518990172), (128, 67, 3.9111861785513002, 2.844405997945784, 1.3750449764822392), (270, 432, 3.0562400838633694, 3.7805428300144, 1.2369914425163369), (345, 482, 2.985119264420868, 3.1965356573462325, 1.0708234325660622), (415, 374, 2.936872962817174, 3.1050739357002395, 1.0572721309408357)], [(187, 361, 2.898755790494772, 3.2483343648453022, 1.120596076253413), (210, 148, 2.7237751977258364, 3.3685529925674706, 1.2367221037110474), (223, 17, 3.244814784700271, 3.1649698675555653, 1.0252277021538827), (249, 257, 3.4561891642112825, 3.249167962016847, 1.0637151432657646), (274, 86, 3.0723624474724454, 3.202585151156336, 1.0423852022377833), (334, 344, 3.677694905995369, 2.8722035622700584, 1.2804436824417442)], [(136, 392, 2.8707040336162977, 3.4464082105535496, 1.200544594704186), (192, 287, 3.550500126099675, 2.9687921568310376, 1.1959409546168995), (196, 26, 2.852041702288446, 3.3372922511155165, 1.1701414633726117), (315, 85, 3.321169291275405, 3.746544006026854, 1.1280798048653808), (367, 143, 3.250385989238422, 3.0855678206478374, 1.0534158307873394), (414, 349, 3.1477674854956144, 3.1887672138631316, 1.013025018066435)], [(10, 134, 2.8263874375632896, 3.5651044108211516, 1.2613643704469375), (39, 441, 3.3389567585642377, 3.150029713250805, 1.0599762740391618), (77, 508, 3.170240749098018, 3.148715476938977, 1.0068362074365533), (149, 88, 3.02177306894235, 3.340135863983737, 1.1053562884365824), (482, 408, 3.234837412702951, 3.1184957778119675, 1.037306972072482), (500, 24, 3.1397777724992073, 3.3810140938077438, 1.0768322915785586)], [(246, 187, 3.4561891642112825, 2.898755790494772, 1.192300909081191), (257, 3, 3.249167962016847, 3.089247696773982, 1.0517667344738544), (353, 470, 3.4159211306402733, 3.093457498754077, 1.1042405244022495), (391, 504, 3.1687908930455437, 3.1195806883122676, 1.0157746215437369), (520, 122, 2.9421384818614675, 3.385914804066517, 1.1508346139860404)], [(37, 513, 3.164685867059168, 3.190457899044174, 1.0081436303846976), (80, 410, 3.373019414179183, 3.060880382596036, 1.1019768800368512), (262, 331, 3.178583225599958, 3.1114446883698683, 1.021577930496738), (322, 359, 2.8700086817590424, 3.4581484975110053, 1.2049261451681355), (409, 60, 3.0025107782376232, 3.702332572027588, 1.2330788614856323)], [(2, 0, 3.2642249277049435, 2.9182822534253523, 1.1185432539548013), (131, 297, 2.938454098771702, 3.4697075027154467, 1.1807935009656312), (185, 521, 2.906445751749418, 3.107583792498345, 1.069204126940219), (289, 35, 3.183916336280324, 3.001260939592734, 1.0608595521562267), (307, 461, 3.1347144034757415, 3.0563451787906124, 1.025641483569647), (448, 537, 3.3976232712963927, 2.943513623693817, 1.1542746885719228)], [(87, 313, 3.2170249092898984, 3.2455910841335984, 1.00887968717967), (220, 188, 3.618258504629908, 2.914746170069079, 1.2413631560048182), (238, 400, 3.348906509518689, 3.035598205147131, 1.1032113880685248), (376, 332, 3.002209529518101, 3.2532322912133718, 1.0836126723425474), (419, 76, 2.8209730184315753, 3.5042965039249507, 1.2422297133041331), (491, 263, 3.1625652639491992, 2.9472928542921117, 1.0730407259474024)], [(60, 409, 2.878770210330181, 3.702332572027588, 1.2860813130350368), (90, 475, 3.195365308638267, 3.2967486865999818, 1.0317282589529395), (108, 284, 3.2313670693024044, 3.194918030235297, 1.0114084426336356), (125, 303, 3.0782664795547707, 3.449869274325318, 1.1207182020265818), (195, 178, 3.3618227097050295, 3.254871878877083, 1.0328586914655589), (287, 192, 3.54265057799015, 2.9687921568310376, 1.193296933851935)], [(6, 360, 3.259401316558566, 3.0230843061052886, 1.0781708303589226), (190, 396, 3.210753938262146, 2.8824299455578726, 1.1139052809280778), (227, 302, 2.962856358147407, 3.2958706371335587, 1.112396363080651), (335, 478, 3.1089477977100253, 3.560956746642364, 1.1453896875545087), (350, 156, 3.4178013436710275, 2.909995393435746, 1.1745040392093988), (490, 107, 3.137866884388211, 3.158648319706941, 1.0066227906040641)], [(117, 27, 3.2422415693317173, 2.978827605861224, 1.088428737182438), (213, 175, 3.230982586641851, 2.987684561939487, 1.0814336385446341), (265, 194, 2.9908871878049306, 3.543154040211609, 1.1846498439187196), (398, 352, 2.983470831116972, 3.150879467424001, 1.0561120405673123), (413, 92, 3.005284211061149, 3.1743458236989808, 1.0562547834962128)], [(140, 90, 2.9498032339900373, 3.207385638772465, 1.0873218938179854), (303, 519, 3.181676493879205, 3.191227033373396, 1.0030017317953488), (342, 317, 2.878727982873827, 3.0066855550598617, 1.0444493446227925), (380, 289, 3.3978113173798925, 2.8664150959691543, 1.1853870439623364), (425, 40, 3.194195550728337, 3.1011763916750605, 1.0299947978783088), (537, 189, 3.219095949691826, 2.999315348624523, 1.0732769234045674)], [(3, 383, 3.089247696773982, 2.985689929339029, 1.034684702660292), (64, 6, 3.394637143330579, 2.9845562292124654, 1.1374009677232053), (144, 9, 3.1954917788659447, 3.1882368714976415, 1.0022755233254972), (249, 246, 3.249167962016847, 3.4561891642112825, 1.0637151432657646), (378, 433, 3.261896222241576, 3.376504623630983, 1.0351355143084988)], [(184, 421, 3.03577605706026, 3.0823420509621258, 1.0153390741038253), (315, 138, 2.8495653270435537, 3.5591587845414234, 1.2490181399820999), (364, 420, 3.622503945686218, 3.042461781810881, 1.1906489564940712), (367, 214, 3.3088360599557882, 2.95442797688108, 1.1199582747821284), (371, 443, 2.970155669117857, 3.284945911017667, 1.105984425386466)], [(76, 72, 3.2747345415273905, 2.973616277035373, 1.1012633226477444), (153, 147, 3.040832647247099, 3.1115023796781927, 1.0232402570707309), (292, 19, 3.5547862934695837, 2.9410499602341855, 1.20867932933262), (440, 238, 2.90106176636602, 3.3443852435961494, 1.1528142152538357), (498, 439, 3.504383987601379, 3.0057396306022124, 1.1658973890893076)], [(40, 207, 2.9757449671413876, 3.024758973861427, 1.0164711718447847), (119, 45, 3.5295764403472374, 2.8609727031815924, 1.233698048367296), (327, 324, 3.3686674438791635, 3.071709328210865, 1.0966752006581506), (426, 380, 3.2048706316714615, 3.1858210881400995, 1.0059794768771786), (450, 124, 3.286542455408161, 2.8160009098688645, 1.1670956653068725), (532, 468, 3.8719363928185238, 3.148261551982456, 1.2298649044519097)], [(46, 71, 3.200397618115541, 2.96001240251731, 1.0812108812090782), (50, 44, 3.0403540217572878, 3.2199867155264656, 1.059082821435825), (343, 267, 3.444289651190979, 3.133914635979198, 1.0990374822748812), (466, 445, 3.265999695059311, 2.945113631390019, 1.108955410157754), (497, 402, 3.4655920409523864, 3.3027656053411603, 1.0493000276337827), (539, 379, 2.9116332517426615, 3.769566238402216, 1.2946569545275206)], [(31, 427, 2.994822956170686, 3.090983443980383, 1.0321089056738941), (250, 409, 3.178583225599958, 3.0025107782376232, 1.0586417369884293), (286, 209, 3.0620821207452087, 2.8875955544377367, 1.0604262484194908), (291, 490, 3.4474034430476546, 3.0102533384727734, 1.1452203703216106), (331, 293, 3.1114446883698683, 3.4271153285196876, 1.1014546848059843)], [(29, 179, 3.2527051357101393, 2.9089835298407305, 1.118158663444969), (53, 200, 3.4841151475264738, 3.037308634563409, 1.1471060622152711), (98, 110, 3.119034785065078, 3.187656288969435, 1.0220008780385965), (119, 470, 3.433613003334017, 3.07554276082464, 1.116425057414376), (426, 22, 3.1444651982098106, 3.0756918560987794, 1.0223602835812895), (491, 252, 2.9472928542921117, 3.1625652639491992, 1.0730407259474024)], [(68, 527, 3.465128170219541, 3.0131714734575383, 1.149993686301362), (213, 201, 3.234052364503101, 3.132714764040242, 1.0323481734200928), (397, 103, 2.9857630944241786, 3.550936878313788, 1.1892895604962945), (413, 55, 3.025198504332868, 3.150639890119308, 1.0414655056872386), (444, 369, 3.248108464429941, 2.927071438464555, 1.1096785755710121)], [(12, 447, 3.538367548005047, 2.8092387429973984, 1.2595467568661265), (75, 331, 3.1695144510532582, 3.0997946146784106, 1.0224917599523222), (194, 236, 3.543154040211609, 3.422904152826007, 1.035130953721366), (209, 359, 2.872580339488628, 3.1505084083885975, 1.0967520612319743), (255, 117, 2.9908871878049306, 3.2422415693317173, 1.084040074313622), (481, 403, 3.1538784563710016, 3.0556383773337377, 1.032150427146744)], [(54, 360, 3.499960000892225, 2.980906007456529, 1.1741262529369658), (164, 281, 3.067592294969673, 3.194291038364821, 1.0413023411236597), (170, 22, 3.732707886210436, 3.130159813213813, 1.1924975429219289), (294, 302, 2.9135073800976095, 3.409766375131361, 1.1703304403564359), (450, 470, 2.8841524044147593, 3.4840431962712333, 1.2079955244175806), (477, 366, 3.4915324946305537, 2.9792715731147723, 1.1719416672647343)], [(28, 226, 3.10231849511714, 3.2049530458481486, 1.0330831766282376), (30, 417, 2.9426803211503123, 3.7138078303502016, 1.2620493648791762), (103, 496, 2.9780404180252473, 3.1375064422967984, 1.0535473001999394), (343, 261, 3.133914635979198, 3.444289651190979, 1.0990374822748812), (362, 180, 3.422718168388607, 3.015138496149572, 1.13517776140616), (473, 150, 3.2173104890362794, 3.212711828237726, 1.001431395358318)], [(93, 107, 3.091276377204276, 3.3306042705064445, 1.0774204128323894), (94, 506, 2.9245739560747106, 3.6797890631069325, 1.2582308118635688), (133, 139, 3.677456638811395, 2.8342681908862484, 1.2974977634919898), (484, 128, 3.0091321088587852, 3.3755193280258093, 1.1217584359584587), (512, 156, 3.2478332285572344, 3.0546269397946677, 1.0632503715087231)], [(89, 198, 3.486821410172158, 2.9659968409869086, 1.1755984908641877), (102, 240, 2.8892631318875877, 3.3381177300953238, 1.1553526202767466), (130, 99, 3.2509586519955556, 3.0207640003589113, 1.0762041164451424), (164, 390, 3.376493808194789, 2.9341200768159585, 1.1507687892101828), (405, 493, 2.888966924829519, 3.3414213646605444, 1.1566146140138747)], [(15, 120, 3.6844097202822934, 3.345725942855324, 1.1012287865807469), (56, 408, 3.0795045638868705, 2.995784295616037, 1.027946026819537), (245, 88, 3.0562400838633694, 3.3930475412230554, 1.110203206592962), (317, 276, 2.887524204671388, 3.0990716275011136, 1.0732625626089949), (320, 303, 2.921339561248391, 3.170698728151715, 1.085357816739648)], [(115, 346, 3.094290643406826, 3.742689264607889, 1.2095467736951735), (141, 471, 3.193672165296996, 3.1110632067527693, 1.0265532883950794), (222, 229, 3.4425956546298444, 2.91840525025631, 1.1796153581917719), (302, 294, 2.9732652215892164, 3.409766375131361, 1.146808683723423), (455, 490, 3.061968179555648, 3.401495787847332, 1.1108854136887067), (493, 341, 3.1274406644300687, 3.3382796900115266, 1.0674158355678605)], [(30, 377, 3.2841098483848894, 3.016247817801816, 1.0888063736017175), (343, 216, 3.178924956809618, 3.2962451021039727, 1.0369056039033075), (422, 110, 3.0051852055567467, 3.2256423017000744, 1.0733589050470802), (449, 366, 3.1095535974346697, 3.049206440639224, 1.0197911023639301), (467, 504, 2.9433991576201515, 3.4465568561604245, 1.1709444324727927), (487, 470, 3.1583318679618064, 3.25709060932503, 1.0312692729871216)], [(21, 428, 2.8675582106300412, 3.277287687316394, 1.1428844496224995), (173, 370, 3.1530476263692866, 3.0946842194410475, 1.0188592446885518), (223, 478, 3.7614635037691992, 2.9138176282118526, 1.2909056034771567), (224, 363, 3.1480692910314505, 3.3473518933602904, 1.0633031181672452), (231, 296, 3.536002389172755, 2.8663004191972963, 1.2336468171619666), (274, 45, 2.927402073541498, 3.3683866811100054, 1.1506402593460676)], [(45, 119, 3.3683866811100054, 2.8609727031815924, 1.1773571545663946), (86, 372, 3.202585151156336, 2.952112913154284, 1.0848450738066202), (200, 483, 3.2474391015351878, 3.225277419614823, 1.006871248279477), (246, 334, 3.0723624474724454, 3.677694905995369, 1.1970250804949512), (273, 231, 2.927402073541498, 3.536002389172755, 1.2078977538247717), (391, 378, 3.2101355137372476, 3.0865705903404836, 1.0400330787131402)], [(23, 46, 2.982592751339909, 3.3464459920722014, 1.1219922634656823), (44, 428, 3.2488882477997443, 2.9683909470503957, 1.0944947298899663), (84, 278, 3.274266926053315, 2.8247435083217547, 1.1591377823888274), (129, 239, 3.5480032285932936, 2.897125954566208, 1.2246630917103303), (155, 52, 3.0635402895715016, 3.4578806009925485, 1.1287204587331225), (228, 16, 3.264229398632157, 3.245796314530629, 1.0056790637228243)], [(99, 529, 2.882490557592832, 3.0861366116095033, 1.070649339502689), (317, 270, 3.0990716275011136, 2.887524204671388, 1.0732625626089949), (376, 380, 3.031858243012121, 3.3130227911993138, 1.0927367065512466), (435, 405, 3.7348930650674763, 2.96508595743958, 1.2596238755562563), (443, 371, 2.8257946704320465, 3.284945911017667, 1.162485705486669), (492, 114, 3.2040255535362903, 2.8307377082945337, 1.1318694572612507)], [(89, 523, 3.13762354975632, 3.077438120403443, 1.019556990911969), (227, 285, 3.0687639058669465, 3.2359940073884235, 1.0544942871629068), (350, 288, 3.1821674428203273, 3.00495655811838, 1.0589728607633888), (405, 298, 3.0793864378240983, 3.2701135256920644, 1.0619367174984164), (452, 442, 2.910912350305406, 3.4299534232323894, 1.1783087260846334), (507, 443, 3.377987884291869, 3.2015314287797194, 1.0551162652741495)], [(63, 1, 3.140447605846574, 3.1304544745456697, 1.0031922301960179), (84, 275, 2.8247435083217547, 3.274266926053315, 1.1591377823888274), (197, 333, 3.0723075884555997, 3.2705462574969792, 1.0645243561504956), (429, 472, 3.0550117659339753, 3.3421805442616788, 1.0939992380814647), (447, 308, 2.907141659495836, 3.675187202751148, 1.264192679000207), (463, 481, 3.6068117681996603, 3.045093794280748, 1.1844665589526087)], [(66, 103, 3.1042302508244948, 2.8733136463853044, 1.0803659582133294), (91, 7, 3.42296143213926, 2.7473184058764906, 1.2459281839402285), (120, 339, 2.844312023537952, 3.473187056864409, 1.2210991720044198), (121, 408, 3.3357559212122108, 3.398897714183604, 1.0189287809008662), (226, 183, 3.2858014365811354, 2.9189783532410742, 1.1256683123164517), (357, 27, 3.236736798443314, 3.169839083784378, 1.021104451327248)], [(103, 377, 3.1032296190093924, 3.151348552946932, 1.015506082322358), (194, 531, 3.3808066626868283, 2.88767197657496, 1.1707724042454333), (209, 413, 3.0198675452235997, 3.314122523483043, 1.097439696891625), (233, 31, 3.022066890585477, 2.9496629943236368, 1.0245464978206578), (362, 216, 3.1229014127964048, 3.0213073853775305, 1.0336258494950123), (524, 120, 3.560537386519781, 2.938311667693787, 1.2117630085559865)], [(7, 91, 3.6086358701979115, 2.7473184058764906, 1.3135120641564773), (79, 181, 3.478460778163109, 3.0450987338632114, 1.142314611832013), (130, 435, 2.8916348192678414, 3.4032749814090018, 1.1769380278353083), (164, 266, 3.194291038364821, 3.067592294969673, 1.0413023411236597), (451, 518, 3.1001421615061404, 3.1322817464501607, 1.0103671326247845), (529, 72, 3.00833323643055, 3.4281753326837094, 1.1395597040809584)], [(0, 2, 3.4439717143736956, 2.9182822534253523, 1.180136606159775), (79, 106, 3.1394930703056216, 3.081674890455086, 1.018761933658095), (89, 453, 3.021147524496202, 3.111111594828166, 1.0297781123240468), (130, 313, 2.9768957020202467, 3.3936783275755507, 1.140005786992288), (312, 330, 3.1897788551448696, 3.0346015623523397, 1.051135969452359), (507, 43, 3.051907528425515, 3.3263598361885505, 1.0899281204318225)], [(13, 142, 3.6729268526725485, 2.969232624117523, 1.2369953175238901), (47, 120, 3.2335245572314344, 3.161473107910798, 1.0227904672477983), (81, 387, 3.0918664171169916, 3.2827906620368275, 1.0617504830942415), (151, 216, 3.214955296882028, 3.378997929624203, 1.0510248565201727), (183, 366, 2.7968257604428253, 3.1674241905261806, 1.1325067994313232), (385, 399, 3.2997236821530174, 2.91040429550998, 1.1337681459732791)], [(23, 464, 2.9422042232503465, 3.9016401787835564, 1.326094275832862), (84, 152, 3.1259377624169575, 3.1334339411342667, 1.0023980575708946), (108, 253, 3.194918030235297, 3.2313670693024044, 1.0114084426336356), (356, 479, 3.1338139361798816, 3.304044022894998, 1.054320419202241), (429, 336, 3.320777572973555, 3.1221794369380085, 1.0636088155875871), (430, 454, 3.1892925570822745, 2.9988308382176925, 1.063511991552608)], [(227, 277, 3.2359940073884235, 3.0687639058669465, 1.0544942871629068), (304, 32, 3.3579319369060863, 3.2648345676273656, 1.0285151873242928), (311, 142, 3.0203257462374817, 3.4339388333119576, 1.1369432047486028), (335, 215, 3.140999542418886, 2.9805856754573985, 1.0538195792465757), (349, 414, 3.100394308524693, 3.1887672138631316, 1.028503763245679), (468, 399, 3.0394688377208783, 3.205259789319713, 1.0545460277602818)], [(55, 107, 2.88053965307213, 3.1994365460046432, 1.1107073435328016), (75, 139, 3.5543682459888606, 2.948548325145212, 1.2054637923608775), (209, 397, 2.8875955544377367, 3.45691442261032, 1.1971601830795306), (233, 235, 3.692140697545869, 2.9933460387622945, 1.2334493405488514), (322, 48, 2.9314608769303043, 3.516994263410728, 1.1997411567346477)], [(16, 334, 3.4145516921573895, 3.128632121115204, 1.0913880443509187), (192, 247, 2.9687921568310376, 3.550500126099675, 1.1959409546168995), (253, 125, 3.54265057799015, 3.0782664795547707, 1.1508589660835815), (457, 84, 2.810868747235087, 3.286717100561865, 1.1692887132474068)], [(190, 215, 3.0720014677038416, 3.5976678374446123, 1.1711152729798917), (219, 168, 3.6086836458650424, 2.860138991215845, 1.2617161812583768), (225, 401, 3.2467974565804463, 3.1195086569446957, 1.040804118094809), (350, 277, 3.00495655811838, 3.1821674428203273, 1.0589728607633888), (352, 398, 2.80915442138788, 3.150879467424001, 1.1216469423803657)], [(11, 116, 3.270994141043471, 3.150100709860709, 1.038377640055866), (35, 465, 3.001260939592734, 3.5027637251728874, 1.1670973619668692), (251, 131, 3.183916336280324, 2.938454098771702, 1.0835344808044567), (380, 256, 2.8664150959691543, 3.3978113173798925, 1.1853870439623364), (495, 99, 3.024746876869135, 3.435410994004304, 1.1357680936132548), (530, 327, 3.4331798474336974, 2.9725959444296794, 1.154943326174922)], [(197, 134, 3.4259981458165476, 2.8531216415113043, 1.200789372584125), (379, 458, 3.0945099510617884, 3.194254999983586, 1.0322329061787547), (384, 505, 3.2498029387353338, 3.0123931085167337, 1.0788110388207262), (429, 406, 3.071636816279431, 3.272915854643634, 1.0655282673060305), (430, 50, 3.084356031551921, 2.9861271819926913, 1.0328950656059064), (516, 337, 3.2284297622478224, 3.0448360231728593, 1.0602967574206672)], [(37, 344, 2.8019706415195613, 3.588840422510059, 1.2808272753934937), (55, 413, 3.0145882945515963, 3.150639890119308, 1.0451310700746779), (190, 64, 3.403744249819916, 2.8941873122502497, 1.176062183471284), (262, 31, 3.4474034430476546, 2.994822956170686, 1.1511209488842902), (352, 85, 3.4187402807798977, 2.9973612644970866, 1.1405833261655607), (490, 455, 3.0102533384727734, 3.401495787847332, 1.1299699411920765)], [(19, 417, 2.9410499602341855, 3.5720858147372283, 1.2145614195730274), (97, 499, 3.163031138245725, 2.9363395436192707, 1.0772021052943486), (234, 112, 3.0142275902274607, 3.266707681747268, 1.0837627829890426), (259, 153, 3.5547862934695837, 3.040832647247099, 1.1690174060344205), (373, 321, 3.047812101965144, 3.263169832281719, 1.0706597792487662), (505, 496, 3.148423981358476, 3.13278416266613, 1.0049923064853072)], [(85, 512, 3.28975875278027, 2.958975925017555, 1.1117896313268425), (139, 12, 3.1804758304375054, 3.111727276895743, 1.0220933736874094), (232, 114, 3.099990454425687, 3.307199283896692, 1.0668417637142027), (331, 262, 3.4271153285196876, 3.1114446883698683, 1.1014546848059843), (474, 383, 2.974433989210993, 3.321428334556755, 1.1166589497714174)], [(266, 477, 2.9135073800976095, 3.4915324946305537, 1.198394937483762), (269, 130, 3.0997494418321256, 3.2509586519955556, 1.0487811073123565), (302, 271, 3.409766375131361, 2.9732652215892164, 1.146808683723423), (453, 6, 2.9972587553559586, 3.1867427394594463, 1.0632190943691093), (515, 101, 3.4323016058156246, 3.1357760424842356, 1.0945620986046167)], [(34, 314, 3.07162976274557, 3.0895549219632876, 1.0058357160863343), (63, 134, 3.299438532626326, 3.0716362432430757, 1.0741631727664254), (133, 398, 3.284837138281858, 3.5352218190275853, 1.0762243819724626), (138, 88, 2.987833648265123, 3.186117560709512, 1.0663637724809485), (326, 184, 3.007889682584272, 3.528025370917465, 1.1729237915023238), (447, 406, 3.1144256692476495, 3.349977071083289, 1.0756323723380246)], [(32, 54, 3.1811745701769287, 3.3469163890282965, 1.0521008247724517), (131, 459, 3.3456786776640586, 3.259043638617252, 1.0265829637935022), (171, 78, 2.819462194035446, 3.397173782885968, 1.2049013425584025), (231, 273, 2.8663004191972963, 3.536002389172755, 1.2336468171619666), (300, 395, 3.530570332397716, 2.97586413575663, 1.1864017210920312), (307, 530, 3.2052241607367087, 2.83193656894518, 1.131813542677818)], [(131, 251, 3.4697075027154467, 2.938454098771702, 1.1807935009656312), (143, 364, 3.647527033142582, 2.9898111245947003, 1.219985772056769), (214, 414, 3.449564986585881, 3.121886577927251, 1.1049616635579982), (224, 200, 3.040668334962137, 3.032407579016425, 1.0027241575317494), (231, 407, 2.891553304084559, 3.22917791183968, 1.1167623668836395), (446, 323, 2.9193179814989922, 3.3418251517534565, 1.1447280402244904)], [(102, 124, 3.3506137930496003, 3.073603511923633, 1.0901255741188942), (339, 120, 2.912216084512726, 3.473187056864409, 1.19262683677044), (405, 277, 3.2701135256920644, 3.0793864378240983, 1.0619367174984164), (427, 31, 3.11587187111503, 3.090983443980383, 1.0080519444978318), (434, 399, 2.8679327352323347, 3.4713076061902726, 1.2103866884831445), (525, 492, 3.1922332835661495, 3.038244680856133, 1.0506834106154428)], [(80, 31, 3.299104346262454, 2.9855491418379967, 1.1050242985554821), (105, 216, 3.0550982228439048, 3.3961414617425776, 1.1116308589846926), (148, 119, 3.5729074508533065, 2.9693673480423777, 1.2032554521113146), (179, 125, 3.0235727713247336, 3.426514514221372, 1.13326675868962), (207, 399, 3.167605438785687, 3.0295404923234535, 1.045572900184723), (409, 334, 3.040957046472888, 3.0796800332461265, 1.0127338157630843)], [(17, 223, 3.498362568036368, 3.1649698675555653, 1.1053383489992894), (22, 426, 3.015505176090646, 3.0756918560987794, 1.0199590703691512), (204, 73, 3.008710102342345, 3.241952225849331, 1.077522298783589), (296, 171, 3.530570332397716, 2.819462194035446, 1.2522141066004058), (304, 453, 3.5066457234995747, 3.1685842466260765, 1.1066916485599105), (395, 346, 2.97586413575663, 3.3367863311644963, 1.1212831564019303)], [(328, 418, 3.0963684429204994, 3.2617784944761694, 1.053420661851099), (412, 390, 3.089324782571677, 3.449065575640786, 1.1164464141480284), (462, 444, 2.9569681641622148, 3.4133899540508272, 1.1543546513014045), (476, 517, 3.1462459279269455, 2.9842909547515726, 1.0542691633057792), (485, 198, 3.0018180010786932, 3.2722066794872653, 1.0900749740028906), (527, 480, 3.5445050311947877, 2.8548439916389876, 1.2415757363889648)], [(227, 254, 3.2958706371335587, 2.962856358147407, 1.112396363080651), (271, 141, 2.9732652215892164, 3.193672165296996, 1.0741295939922815), (294, 266, 3.409766375131361, 2.9135073800976095, 1.1703304403564359), (405, 435, 3.1993324720534164, 2.96508595743958, 1.079001593200392), (434, 410, 2.9016360122181775, 3.286316004925123, 1.1325734830582264), (468, 395, 3.1741542660310587, 3.8093772962903336, 1.2001235532429095)], [(125, 253, 3.449869274325318, 3.0782664795547707, 1.1207182020265818), (160, 207, 2.9943540428130055, 3.3256977198315862, 1.1106561456264217), (256, 380, 3.181676493879205, 3.3978113173798925, 1.0679311123919983), (320, 270, 3.170698728151715, 2.921339561248391, 1.085357816739648), (374, 211, 2.9422319968455835, 3.316338328284098, 1.127150521046471), (519, 479, 3.191227033373396, 3.1714219869932405, 1.0062448474095786)], [(32, 394, 3.2648345676273656, 3.2637076959866436, 1.0003452734575795), (122, 520, 2.9194488753109717, 3.385914804066517, 1.1597787625946554), (285, 311, 3.3579319369060863, 3.0203257462374817, 1.111778072643049), (300, 204, 3.5066457234995747, 3.008710102342345, 1.1654980387673695), (453, 89, 3.1685842466260765, 3.111111594828166, 1.018473349491369)], [(66, 28, 3.4081645936396794, 2.9520911517242228, 1.1544916530267295), (121, 538, 3.1800179260025065, 3.1944587443144403, 1.0045411122352026), (236, 208, 2.97355384989083, 3.5569558865360844, 1.1961968964061886), (241, 97, 2.928901964930394, 3.218991588390329, 1.0990438146900656), (439, 472, 2.9780279908864693, 3.4202928936685315, 1.1485093169491711), (496, 481, 3.3895001371271025, 2.984871923918773, 1.1355596566693227)], [(98, 35, 3.205905299912042, 3.043039875352036, 1.0535206343759018), (119, 148, 3.3277963817927, 2.9693673480423777, 1.1207088890455486), (327, 461, 2.9450350056462007, 3.2780115129259384, 1.1130636840110075), (402, 86, 3.180520120096998, 3.164999972600058, 1.0049036801362718), (422, 466, 3.218521002430938, 3.379528583908741, 1.050025331932336), (487, 417, 3.0511846555034943, 2.9370897025884433, 1.0388462609141627)], [(22, 111, 3.0829645094065925, 3.321571228071647, 1.0773952207159794), (251, 2, 3.1347144034757415, 3.2642249277049435, 1.0413149357675462), (296, 231, 3.2052241607367087, 2.8663004191972963, 1.1182443191472329), (351, 533, 3.3987988580447452, 3.087519286360008, 1.1008186646994897), (530, 98, 2.83193656894518, 3.1779215889423913, 1.122172588112057)], [(139, 75, 3.3986255230881954, 2.948548325145212, 1.152643656576603), (195, 188, 2.9107983575516987, 3.3221297840003476, 1.1413122366863722), (287, 16, 3.001105686360515, 3.4145516921573895, 1.1377645604671345), (326, 315, 3.525171188960263, 2.9754396404389114, 1.1847564108006101), (421, 400, 2.906389174901144, 3.2992999358229596, 1.135188626600627), (447, 278, 3.675187202751148, 2.907141659495836, 1.264192679000207)], [(66, 524, 3.1090535846118237, 3.2853184474249453, 1.0566940575374897), (91, 358, 2.931539171743158, 3.5711697122237127, 1.218189320697433), (186, 449, 3.5295348215655666, 3.0011543505702614, 1.1760590790323415), (241, 498, 3.0660693898905955, 3.3962704448202237, 1.1076952322143663), (319, 451, 3.2257112717365386, 3.0434821176563394, 1.0598752176078257), (377, 96, 3.3434612658195215, 3.0607790057577065, 1.0923563117526796)], [(16, 60, 3.275678363742696, 2.892993229604277, 1.132279996448787), (192, 326, 3.2169178556324765, 3.058801698898756, 1.0516921893925475), (205, 224, 3.4384744971873773, 2.9343711035554043, 1.1717926519318502), (314, 129, 3.0029577502969054, 3.4404919769036355, 1.1457010930518323), (414, 189, 2.9114248400587095, 3.5818481840801604, 1.2302732788416861), (478, 335, 3.186924079010081, 3.560956746642364, 1.1173647876006085)], [(115, 385, 3.2016711374251052, 2.933036898791437, 1.0915891098214139), (142, 177, 3.4339388333119576, 2.9885618757958388, 1.1490271829816197), (145, 62, 3.322432720751312, 3.213869533024464, 1.0337795876936806), (285, 304, 3.0203257462374817, 3.3579319369060863, 1.111778072643049), (455, 452, 3.011513096358524, 3.309464821301094, 1.0989375491352997), (468, 532, 3.9007400491518682, 3.148261551982456, 1.2390139715982549), (513, 37, 3.103837140880805, 3.190457899044174, 1.0279076363326163)], [(156, 512, 3.1734830337780044, 3.0546269397946677, 1.0389101832485397), (181, 476, 2.8976582478437454, 3.5647963538210146, 1.2302335365026953), (198, 6, 3.1940000634227967, 3.045622388587091, 1.0487183425600377), (206, 459, 3.0685606306227906, 3.0415664165780254, 1.0088751026108236), (282, 130, 3.1897788551448696, 2.9768957020202467, 1.0715117943098078), (330, 383, 3.0346015623523397, 3.5939184854393775, 1.184313133567845)], [(14, 401, 2.9936814390045714, 3.3724089410369094, 1.1265089521877347), (87, 252, 3.2455910841335984, 3.2170249092898984, 1.00887968717967), (102, 515, 2.9497667229417783, 3.194631336885613, 1.0830115181785063), (130, 282, 3.3936783275755507, 2.9768957020202467, 1.140005786992288), (451, 319, 3.112557037246623, 3.0434821176563394, 1.0226960162471648), (525, 61, 3.0476161020408923, 3.305610723129084, 1.0846545668647114)], [(34, 295, 3.0895549219632876, 3.07162976274557, 1.0058357160863343), (62, 211, 3.1320717708240733, 2.895029503481432, 1.0818790506478724), (129, 355, 3.4404919769036355, 2.9493032173810203, 1.1665440015214137), (218, 513, 3.089808114125526, 3.315143376395405, 1.0729285618869744), (228, 123, 2.8758463135908254, 3.5808298907629754, 1.2451395173102615), (310, 205, 3.0029577502969054, 3.4384744971873773, 1.1450292621823974)], [(74, 127, 3.1369662879401305, 2.7729076703834727, 1.1312912872812355), (138, 1, 3.5591587845414234, 2.9766155957930542, 1.1957065566584062), (247, 414, 3.321169291275405, 3.1477674854956144, 1.0550872345491835), (258, 364, 2.8495653270435537, 3.622503945686218, 1.2712479027264814), (326, 308, 2.9754396404389114, 3.525171188960263, 1.1847564108006101), (512, 393, 3.424839637326926, 3.1792830587419942, 1.077236463079225)], [(42, 184, 3.162126716443487, 2.8629129738292907, 1.1045137401483716), (109, 440, 3.341528126298138, 3.1658211225777917, 1.0555012418317797), (118, 510, 3.172951957017077, 3.346309910822877, 1.0546361735551695), (340, 146, 2.8655628893584533, 3.369415553740101, 1.17583025877839), (383, 3, 3.5865210815797957, 2.985689929339029, 1.2012369557657911), (420, 386, 3.4138015733001112, 3.109625319869406, 1.0978176539427842)], [(127, 74, 3.3876511537322975, 2.7729076703834727, 1.2216963406011316), (270, 56, 2.887524204671388, 3.0795045638868705, 1.0664861471654161), (342, 256, 3.0066855550598617, 2.878727982873827, 1.0444493446227925)], [(19, 319, 3.3168786486747996, 3.0745729576743233, 1.078809543418271), (96, 397, 3.3027819678555606, 2.974564914733546, 1.110341196958351), (132, 104, 3.1044817962266333, 3.137544757187182, 1.0106500740319158), (234, 514, 3.134770912191493, 2.922832941983249, 1.0725111473748605), (369, 168, 2.985247183390596, 3.3536889089337403, 1.123420843537879), (389, 401, 2.9038180944479026, 3.490305212602498, 1.2019710254151106)], [(7, 106, 3.2937563409351998, 2.986028732316778, 1.1030558096404064), (19, 318, 3.0745729576743233, 3.3168786486747996, 1.078809543418271), (70, 437, 2.9823743972681838, 3.164414220873724, 1.0610385549756216), (97, 76, 3.2659642435249667, 3.450176908273754, 1.056403760425119), (309, 66, 3.2257112717365386, 3.1090535846118237, 1.0375219287638235), (451, 313, 3.0434821176563394, 3.112557037246623, 1.0226960162471648)], [(36, 494, 3.0455042176619225, 3.077568949388999, 1.0105285461570277), (188, 195, 2.9341048773387417, 3.3221297840003476, 1.1322464338812415), (270, 15, 2.921339561248391, 3.6844097202822934, 1.2612055678689456), (303, 160, 3.170698728151715, 2.9943540428130055, 1.058892396429196), (342, 376, 3.2339308003943428, 3.011712636236097, 1.0737846504625237), (415, 243, 3.4035965528464205, 2.8907404467069613, 1.1774134051791776)], [(14, 240, 3.0739316644302273, 3.1261454948224388, 1.0169860088291487), (87, 99, 3.291857348924555, 2.9892034529681553, 1.1012490118917388), (114, 432, 3.2176235365785955, 3.1727956403744177, 1.0141288318836972), (238, 475, 3.411229790093119, 2.9452721120778285, 1.1582053067709819), (373, 292, 3.263169832281719, 3.047812101965144, 1.0706597792487662), (536, 474, 2.821342850488343, 3.391980989157446, 1.2022576371993683)], [(48, 123, 3.516994263410728, 3.09407719269586, 1.136686011491), (52, 191, 3.017535830608052, 3.1757888868798094, 1.0524444663312806), (180, 229, 3.0837141854361168, 3.481597715289835, 1.1290273695703894), (250, 95, 2.8700086817590424, 3.048482905819008, 1.0621859526747417), (286, 75, 2.9314608769303043, 3.5543682459888606, 1.212490425494212), (359, 473, 3.4581484975110053, 3.0304708179470605, 1.1411258201303742)], [(41, 100, 3.445453115205379, 2.9973258262687343, 1.1495090340226717), (51, 454, 2.8722794723512184, 3.5150334477700254, 1.223778354998532), (65, 152, 2.9263605379473026, 3.520885617677185, 1.203161938530962), (416, 521, 3.4144909846861813, 3.018016802491453, 1.1313691102936962), (446, 297, 3.3418251517534565, 2.9193179814989922, 1.1447280402244904)], [(20, 394, 3.0636997056461075, 3.185813171002452, 1.0398581705417478), (38, 11, 3.0796662184477857, 3.2406885688551395, 1.0522856501275364), (327, 260, 3.071709328210865, 3.3686674438791635, 1.0966752006581506), (422, 497, 3.468919414288381, 2.923890215085142, 1.1864054937464088), (445, 81, 3.140389686724783, 3.2178384123229913, 1.0246621385637595), (449, 186, 3.298521965913676, 3.0011543505702614, 1.0990844123984862)], [(4, 445, 3.0235980412432073, 3.4527904914873053, 1.1419475883995571), (78, 416, 3.0988343895170893, 3.3201328519079913, 1.0714134524708783), (100, 511, 2.9908183859185455, 2.9811117561715075, 1.00325604356393), (394, 32, 3.1516737559072543, 3.2637076959866436, 1.0355474420121693), (501, 375, 3.278577997272235, 3.025685445242558, 1.0835819045325128), (509, 535, 3.484062457121131, 3.0621738495350717, 1.1377742180281876)], [(85, 352, 3.670686467563941, 2.9973612644970866, 1.2246393222739629), (184, 42, 3.528025370917465, 2.8629129738292907, 1.2323201589318844), (192, 310, 3.058801698898756, 3.2169178556324765, 1.0516921893925475), (295, 63, 3.007889682584272, 3.299438532626326, 1.0969280395255605), (308, 195, 3.525171188960263, 2.9107983575516987, 1.211066778231014), (315, 74, 2.9754396404389114, 3.1369662879401305, 1.0542866490403389)], [(260, 40, 3.3686674438791635, 2.9757449671413876, 1.1320417176459958), (306, 402, 2.9450350056462007, 3.180520120096998, 1.0799600391843651), (324, 445, 3.071709328210865, 3.140389686724783, 1.022359003139767), (437, 70, 3.346776810378991, 3.164414220873724, 1.0576291777171054), (461, 32, 3.2780115129259384, 3.130450488688438, 1.0471373129109363), (530, 289, 2.9725959444296794, 3.4331798474336974, 1.154943326174922)], [(49, 433, 3.004385266108441, 3.3252551078936508, 1.106800497727387), (69, 477, 3.8006114238665196, 2.7849501053822183, 1.364696414675949), (301, 476, 3.0963684429204994, 3.1462459279269455, 1.0161083817788175), (360, 6, 3.0098183851171116, 3.0230843061052886, 1.0044075486593391), (418, 166, 3.2617784944761694, 3.3170847750298806, 1.0169558664536456), (522, 177, 3.3462948556511924, 3.249469307542079, 1.0297973419488466)], [(111, 22, 3.004512920858778, 3.321571228071647, 1.1055273568676296), (160, 179, 3.1488729823189874, 3.0512097312048057, 1.0320080426184333), (346, 145, 3.0980453100091365, 3.2395582855693483, 1.0456781490906581), (354, 81, 3.1534483454189997, 3.0128464704994413, 1.0466674542816152), (374, 415, 3.0392002857597227, 3.1050739357002395, 1.0216746656181792), (399, 434, 3.362036519848573, 3.4713076061902726, 1.0325014572853661)], [(174, 237, 3.410976762988592, 3.1034638143259983, 1.099087009567527), (219, 64, 3.495315045832326, 3.283238194919659, 1.0645938059690052), (312, 282, 3.0346015623523397, 3.1897788551448696, 1.051135969452359), (364, 143, 3.0373359699183102, 2.9898111245947003, 1.0158956012079365), (383, 5, 3.5939184854393775, 2.8348379712712966, 1.267768571558842), (502, 85, 2.89350683377068, 3.7045030454841044, 1.280281422614293)], [(75, 265, 3.0997946146784106, 3.1695144510532582, 1.0224917599523222), (126, 158, 3.1340390727766527, 3.0247302443652977, 1.0361383725424718), (225, 3, 3.2575635316482447, 3.0629574486549846, 1.063535353087819), (262, 250, 3.1114446883698683, 3.178583225599958, 1.021577930496738), (352, 393, 3.3312093099184645, 3.1010651555817783, 1.074214549772499)], [(2, 441, 3.185476740560508, 3.2378763170187073, 1.0164495241139255), (73, 367, 2.9716826510510073, 3.460162683449088, 1.164378263010459), (376, 252, 3.2532322912133718, 3.002209529518101, 1.0836126723425474), (392, 415, 3.0499540147004445, 3.1023432693563335, 1.017177063786332), (443, 507, 3.288181856526635, 3.2015314287797194, 1.0270653059869985), (448, 22, 3.196709630771691, 3.0202977558449122, 1.058408769329244)], [(51, 428, 3.286308026959834, 2.935853915562805, 1.119370418786606), (118, 363, 3.288114951185095, 2.8688106452151203, 1.1461596312288267), (163, 25, 3.401176617330192, 2.957286324089136, 1.1501005464453218), (197, 278, 3.2705462574969792, 3.0723075884555997, 1.0645243561504956), (340, 112, 3.012836219994319, 3.883754868164459, 1.2890693634092671), (516, 153, 2.932606238867815, 3.360420558372048, 1.1458819509534284)], [(16, 287, 3.128632121115204, 3.4145516921573895, 1.0913880443509187), (215, 190, 3.4317090643370167, 3.5976678374446123, 1.0483603854511652), (246, 274, 3.677694905995369, 3.0723624474724454, 1.1970250804949512), (344, 155, 2.8722035622700584, 3.3182828120155867, 1.1553090649998943), (409, 299, 3.0796800332461265, 3.040957046472888, 1.0127338157630843), (478, 349, 3.0391300358622146, 3.1867930576100907, 1.0485872667524683)], [(122, 407, 2.9739545879481826, 3.396126268716366, 1.1419563306309435), (254, 350, 3.1089477977100253, 3.4178013436710275, 1.0993434325878666), (285, 468, 3.140999542418886, 3.0394688377208783, 1.0334040946358707), (478, 310, 3.560956746642364, 3.186924079010081, 1.1173647876006085), (513, 191, 3.5890192385511375, 2.9215310517796964, 1.2284720493950698)], [(429, 284, 3.1221794369380085, 3.320777572973555, 1.0636088155875871), (439, 408, 2.870153491373596, 3.16733391068969, 1.1035416468872783), (463, 201, 3.715348803558551, 3.0455962777832166, 1.2199085054906962), (496, 103, 3.042748022773085, 3.1375064422967984, 1.0311423814310305), (531, 178, 3.1407232747039346, 3.185339147081731, 1.0142056044023815)], [(109, 5, 3.098682299497014, 3.3645028736306775, 1.0857850364901274), (118, 424, 3.5866980649813254, 3.0559218970508684, 1.173687740004967), (172, 86, 3.2353000717461717, 2.8904003288323894, 1.1193259423178616), (465, 35, 2.9440209979967995, 3.5027637251728874, 1.1897889748599868), (483, 361, 3.2988395029546784, 3.017589794629283, 1.0932034263987653), (516, 290, 3.0448360231728593, 3.2284297622478224, 1.0602967574206672)], [(0, 443, 3.102057576273999, 3.035237755535734, 1.0220146908150434), (79, 523, 2.8771110934075033, 3.065079966624696, 1.0653325044166342), (386, 420, 3.5691269250207465, 3.109625319869406, 1.1477675146955126), (441, 185, 3.3310830782579157, 3.0743803175583073, 1.08349739921035), (528, 203, 3.5687633935730907, 2.8657481118419277, 1.245316494784082), (529, 436, 2.98246172462166, 3.1392209953438908, 1.0525603629471947)], [(120, 279, 3.473187056864409, 2.844312023537952, 1.2210991720044198), (222, 385, 3.3101128367031714, 3.0857804099344457, 1.0726987656174443), (235, 233, 3.813324297458974, 2.9933460387622945, 1.2739336675674586), (298, 102, 2.912216084512726, 3.3506137930496003, 1.1505374930343562), (493, 452, 2.875861860153412, 3.1861949433414414, 1.1079095931163656)], [(112, 369, 3.883754868164459, 3.022632870993381, 1.2848913625716218), (316, 42, 2.8655628893584533, 3.162126716443487, 1.1034923463680915), (333, 51, 3.012836219994319, 3.286308026959834, 1.0907688924975918)], [(43, 512, 3.1519412680291485, 3.2552456555829954, 1.0327748453315697), (61, 208, 3.379598187480926, 2.999047205943419, 1.1268906273910404), (128, 538, 3.3709084045383895, 2.878920604129509, 1.1708931464463368), (317, 342, 3.7177382613326406, 3.0066855550598617, 1.236490545237153), (435, 130, 2.9109775703228946, 3.4032749814090018, 1.1691175555954214), (493, 271, 3.3382796900115266, 3.1274406644300687, 1.0674158355678605)], [(220, 176, 2.9246402355738406, 3.1616155406872832, 1.0810271643776883), (256, 425, 2.878727982873827, 3.194195550728337, 1.109585750974491), (317, 341, 3.0066855550598617, 3.7177382613326406, 1.236490545237153), (320, 36, 3.2339308003943428, 3.0455042176619225, 1.0618704061021063), (376, 495, 3.011712636236097, 3.3767202501444666, 1.1211960296333385), (392, 136, 3.044790592107404, 3.4464082105535496, 1.1319031986919574)], [(18, 183, 2.88205664816274, 3.9697454362400424, 1.3774002113284918), (216, 105, 3.2962451021039727, 3.3961414617425776, 1.0303061078725129), (267, 103, 3.133914635979198, 2.9780404180252473, 1.0523412029636965), (272, 487, 3.178924956809618, 3.1583318679618064, 1.0065202422382233)], [(37, 291, 3.588840422510059, 2.8019706415195613, 1.2808272753934937), (48, 105, 2.9180771418688347, 3.2887539358062767, 1.1270277569495808), (155, 534, 3.3182828120155867, 2.8472809837667254, 1.165421618355967), (218, 145, 3.241789867054261, 2.952159980558611, 1.0981077883322725), (228, 457, 3.1328416909197405, 3.162972285844094, 1.0096176563953692), (334, 246, 2.8722035622700584, 3.677694905995369, 1.2804436824417442)], [(56, 244, 3.1857967632202504, 3.0145031775174886, 1.0568231564591768), (149, 1, 2.9831983446226693, 3.2551179306418545, 1.091150354286476), (245, 127, 2.985119264420868, 3.3713278169596106, 1.1293779304371176), (482, 368, 3.1965356573462325, 2.846856195892433, 1.122830040364642), (538, 357, 3.5269870427718897, 2.9943475132211, 1.177881667775366)], [(115, 271, 3.742689264607889, 3.094290643406826, 1.2095467736951735), (145, 218, 3.2395582855693483, 2.952159980558611, 1.097351873510715), (161, 113, 2.8275996074375875, 3.34798364041703, 1.1840373833730378), (211, 243, 3.252580874895862, 3.1330579498590096, 1.038148967222975), (329, 160, 3.0980453100091365, 3.1488729823189874, 1.0164063682818445), (395, 300, 3.3367863311644963, 2.97586413575663, 1.1212831564019303)], [(175, 444, 2.9686098004008095, 3.3146274966796736, 1.1165588337787427), (201, 83, 3.118274239974471, 3.137631146705446, 1.006207570355048), (526, 517, 3.014494102273366, 2.8482080889984753, 1.0583826771355607)], [(29, 425, 3.0442734927040664, 3.1184179142998456, 1.0243553746972716), (53, 159, 3.2993229664989334, 3.4952607218571887, 1.0593872613708304), (60, 123, 2.9115639298468405, 3.0214975824526973, 1.0377575953180735), (90, 176, 3.460921519198629, 2.905531477377357, 1.1911492083791113), (187, 205, 3.2644519455338115, 3.071251954799175, 1.0629059398506007)], [(17, 231, 3.4579590317432674, 3.0831525375371696, 1.1215659911868954), (145, 535, 3.1371255653115204, 3.067297402623201, 1.0227653707881739), (285, 227, 3.100394308524693, 3.2359940073884235, 1.0437362752508261), (395, 111, 3.3105327913654996, 3.157735145800857, 1.0483883665062386), (414, 247, 3.1887672138631316, 3.1477674854956144, 1.013025018066435), (478, 334, 3.1867930576100907, 3.0391300358622146, 1.0485872667524683)], [(156, 371, 2.909995393435746, 3.5423003903093675, 1.2172872844747282), (198, 485, 3.0174072964615104, 3.2722066794872653, 1.0844431520148294), (254, 335, 3.4178013436710275, 3.1089477977100253, 1.0993434325878666), (277, 405, 3.1821674428203273, 3.0793864378240983, 1.0333771051706178), (288, 225, 3.00495655811838, 3.2467974565804463, 1.0804806637915259), (393, 93, 3.288349748425666, 3.1496268005280887, 1.0440442492660775)], [(20, 477, 3.0476135717573363, 3.586096311790499, 1.1766899665441046), (38, 110, 3.48211300565591, 2.828566332947847, 1.2310522702244555), (171, 166, 2.9388719636411316, 3.066333256722596, 1.0433708220903728), (185, 441, 3.229131495583902, 3.0743803175583073, 1.0503357301443106), (307, 22, 3.3987988580447452, 3.0829645094065925, 1.1024450160468906), (533, 508, 3.087519286360008, 3.174059134900897, 1.0280289256566602)], [(85, 326, 2.9973612644970866, 3.670686467563941, 1.2246393222739629), (288, 219, 2.80915442138788, 3.6086836458650424, 1.2846156189883466), (291, 37, 3.4187402807798977, 2.8019706415195613, 1.2201199506236977), (331, 126, 3.3312093099184645, 3.1340390727766527, 1.062912501268571), (393, 452, 3.1010651555817783, 2.95614769419274, 1.049022402254706), (398, 255, 3.150879467424001, 2.983470831116972, 1.0561120405673123)], [(45, 53, 3.4342162407358168, 3.13962136190888, 1.0938313397918225), (104, 467, 3.105072923156939, 2.9474027330231807, 1.0534946203201876), (137, 80, 3.301591968646269, 3.042575567561341, 1.0851306386097528), (144, 389, 2.8149725066754336, 3.480052570340591, 1.2362652075954506), (249, 520, 3.4159211306402733, 2.9421384818614675, 1.1610334291535616), (470, 450, 3.093457498754077, 3.4840431962712333, 1.1262618599655785)], [(81, 445, 3.0128464704994413, 3.2178384123229913, 1.068039292353841), (135, 71, 3.331922527861232, 3.265405628849882, 1.0203701795647293), (161, 535, 3.023606603281613, 3.0751574581586096, 1.0170494583591154), (165, 8, 3.138441254092852, 3.5671471053931905, 1.1365983354766516), (329, 111, 3.1534483454189997, 3.004512920858778, 1.0495705721637074), (385, 222, 3.3218137458710184, 3.0857804099344457, 1.0764906456650902)], [(41, 166, 3.4292607814026264, 2.907414386585913, 1.1794881380598456), (44, 50, 3.05019794342888, 3.2199867155264656, 1.0556648372487976), (65, 134, 3.3203393469333964, 3.0607587106275296, 1.084809245303968), (129, 314, 2.9493032173810203, 3.4404919769036355, 1.1665440015214137), (162, 508, 3.340544281800449, 3.196567400501707, 1.0450410904134682), (365, 217, 3.243894348882502, 3.634003068001854, 1.1202593787475665)], [(46, 216, 3.411824626277363, 3.096390401316349, 1.101871593719873), (284, 84, 3.1338139361798816, 3.1259377624169575, 1.0025196195067025), (404, 125, 3.147884651538419, 3.149710630874017, 1.0005800655162842), (472, 439, 3.0512526694826603, 3.4202928936685315, 1.120947120465262), (479, 387, 3.304044022894998, 2.9636227254717786, 1.1148666105497715), (539, 147, 3.016537387801347, 3.584041604758573, 1.1881310071780218)], [(27, 117, 3.169839083784378, 2.978827605861224, 1.0641230387241325), (67, 493, 3.235161893017223, 3.007931449815717, 1.075543757227389), (279, 66, 3.236736798443314, 3.1042302508244948, 1.0426857987044051), (358, 106, 3.1764504281928736, 3.1317976422666005, 1.0142578771130168), (471, 169, 3.2090211368760597, 3.079449136784337, 1.0420763566262459), (538, 345, 2.9943475132211, 3.5269870427718897, 1.177881667775366)], [(24, 202, 2.87742930552752, 3.163734676694957, 1.0995004014929042), (91, 309, 3.5711697122237127, 2.931539171743158, 1.218189320697433), (106, 79, 3.1317976422666005, 3.081674890455086, 1.0162647760043606), (203, 482, 3.289238619241666, 3.346759033695243, 1.017487455643105), (357, 67, 3.1764504281928736, 3.235161893017223, 1.0184833562341318), (375, 501, 3.146759004845712, 3.025685445242558, 1.0400152500298814)], [(92, 217, 3.124443377854147, 3.126436143745149, 1.0006377986892407), (209, 265, 3.1505084083885975, 2.872580339488628, 1.0967520612319743), (322, 250, 3.4581484975110053, 2.8700086817590424, 1.2049261451681355), (362, 182, 3.2332423573305014, 2.96734800702388, 1.0896067295366887), (464, 23, 3.010156147040547, 3.9016401787835564, 1.296158733366532), (473, 469, 3.0304708179470605, 3.519831841249142, 1.161480196543714)], [(6, 254, 3.0230843061052886, 3.259401316558566, 1.0781708303589226), (54, 266, 2.980906007456529, 3.499960000892225, 1.1741262529369658), (328, 522, 3.0098183851171116, 3.3462948556511924, 1.1117929481054016), (370, 378, 3.238852375125205, 3.0897242574658446, 1.0482658338520066), (407, 231, 3.10654096819586, 3.22917791183968, 1.0394770083186904), (485, 181, 3.073577049139953, 3.301182238128192, 1.0740522151712213)], [(82, 367, 3.328510619054082, 3.1923083249683812, 1.0426657704145947), (90, 140, 2.9132184594383976, 3.207385638772465, 1.1009766975700053), (187, 246, 3.2483343648453022, 2.898755790494772, 1.120596076253413), (287, 457, 3.6767431624295486, 2.810868747235087, 1.3080451252112641), (483, 337, 3.017589794629283, 3.2988395029546784, 1.0932034263987653)], [(180, 80, 3.015138496149572, 3.070815142469946, 1.018465701124998), (182, 47, 2.96734800702388, 3.4601819597784864, 1.1660856601881682), (216, 46, 3.0213073853775305, 3.096390401316349, 1.024851167511854), (267, 30, 3.422718168388607, 2.9426803211503123, 1.1631294584695646), (280, 194, 3.1229014127964048, 3.3808066626868283, 1.0825851398425934), (359, 92, 3.2332423573305014, 3.124443377854147, 1.0348218758731602)], [(42, 474, 2.8056164804160364, 3.725014117288715, 1.3276989721475916), (82, 192, 3.1182711826832055, 2.988749157646431, 1.0433365325107344), (118, 333, 2.8688106452151203, 3.288114951185095, 1.1461596312288267), (143, 459, 3.1312985828551896, 3.0126371025145566, 1.0393879104262473), (224, 273, 3.3473518933602904, 3.1480692910314505, 1.0633031181672452), (483, 475, 3.0754848317742627, 3.427637026744537, 1.1145029854584312)], [(42, 400, 3.2040972148680726, 3.3520239412124013, 1.0461679894286289), (143, 297, 2.9898111245947003, 3.647527033142582, 1.219985772056769), (206, 0, 3.1418041578635356, 2.8675345151801683, 1.0956465009336198), (258, 315, 3.622503945686218, 2.8495653270435537, 1.2712479027264814), (330, 219, 3.0373359699183102, 3.495315045832326, 1.1507831469583305)], [(57, 218, 3.125629006355453, 3.0483891808498598, 1.0253379148537916), (100, 418, 2.9126757945281554, 3.481468509706455, 1.1952818491666155), (177, 480, 3.9922742340762154, 3.0629140493906934, 1.303423527300872), (217, 154, 3.634003068001854, 3.0627772618118527, 1.186505827019259), (355, 65, 3.243894348882502, 3.3203393469333964, 1.023565810050882), (509, 113, 2.8974169572899404, 3.4181004362623217, 1.1797060922358222), (511, 504, 3.6720185739065716, 3.651034742351997, 1.0057473656197138), (534, 488, 3.7156762935854437, 2.7381465882522193, 1.3570041536589863)], [(183, 283, 3.1674241905261806, 2.7968257604428253, 1.1325067994313232), (381, 91, 3.190171728935117, 3.099734100953242, 1.0291759309142237), (449, 272, 3.049206440639224, 3.1095535974346697, 1.0197911023639301), (477, 266, 2.9792715731147723, 3.4915324946305537, 1.1719416672647343), (501, 522, 3.5132692009249924, 3.1576436462917497, 1.112623713904791)], [(73, 332, 3.460162683449088, 2.9716826510510073, 1.164378263010459), (82, 361, 3.1923083249683812, 3.328510619054082, 1.0426657704145947), (143, 424, 3.0855678206478374, 3.3799451909403677, 1.095404602135993), (214, 17, 2.95442797688108, 3.7720150513603423, 1.276732782412374), (247, 196, 3.250385989238422, 2.852041702288446, 1.1396698676005856), (258, 502, 3.3088360599557882, 3.315875678772114, 1.0021275211853258)], [(39, 25, 2.985321843980429, 3.1407757784455432, 1.0520727554982288), (72, 495, 3.4833562945027334, 3.0651928149213448, 1.136423221908185), (116, 431, 2.9535099091215455, 3.3526642850514214, 1.1351457717128821), (411, 498, 3.1225758557580945, 2.855314492137801, 1.0936013753848153), (482, 345, 2.846856195892433, 3.1965356573462325, 1.122830040364642), (528, 106, 3.473946735876745, 3.154855562587185, 1.101142878638756)], [(3, 225, 3.4965535415377267, 3.0629574486549846, 1.1415612525316485), (112, 340, 3.022632870993381, 3.883754868164459, 1.2848913625716218), (168, 485, 3.3536889089337403, 3.2001342499988508, 1.047983817846062), (318, 19, 2.985247183390596, 3.3168786486747996, 1.1110901191463622), (378, 391, 3.4691879750730155, 3.0865705903404836, 1.123961974474177), (444, 264, 2.927071438464555, 3.248108464429941, 1.1096785755710121)], [(49, 456, 2.9253914593024737, 3.4467780534866264, 1.1782279744224287), (64, 190, 3.314433775477454, 2.8941873122502497, 1.1452036160370214), (168, 174, 2.9894057925463793, 3.3222692373399756, 1.111347695125078), (173, 273, 3.0946842194410475, 3.1530476263692866, 1.0188592446885518), (360, 54, 3.238852375125205, 2.980906007456529, 1.0865328752478076), (378, 132, 3.0897242574658446, 3.2089228877121156, 1.0385790511752775)], [(73, 204, 2.952897820531345, 3.241952225849331, 1.0978883872337897), (74, 88, 3.5802724869024773, 2.991722323200221, 1.196726199867603), (156, 350, 3.5423003903093675, 2.909995393435746, 1.2172872844747282), (206, 386, 2.893935180896006, 3.2875798487998757, 1.1360240099717753), (258, 184, 2.970155669117857, 3.03577605706026, 1.0220932487225132), (443, 276, 3.284945911017667, 2.8257946704320465, 1.162485705486669)], [(50, 23, 3.3223938706022893, 3.1166044902166976, 1.0660299954747492), (86, 274, 2.952112913154284, 3.202585151156336, 1.0848450738066202), (428, 41, 3.2363988564049233, 3.0829160513391756, 1.0497849446789436), (454, 516, 3.3720772235472243, 3.0260897014876855, 1.114334853289195), (497, 422, 3.1804936759101197, 2.923890215085142, 1.08776097662665)], [(5, 383, 3.7158129231622987, 2.8348379712712966, 1.3107673033940366), (292, 505, 3.047812101965144, 3.148423981358476, 1.033011181801024), (321, 114, 3.263169832281719, 3.2176235365785955, 1.0141552593662198), (436, 529, 2.886802082855901, 3.1392209953438908, 1.0874389394364967), (440, 465, 3.1885275761174894, 3.3739098552632516, 1.0581404032802793), (518, 9, 3.247165256651446, 3.160926302000579, 1.0272828109267482)], [(165, 387, 2.9362923747194083, 3.306649538048984, 1.1261308875499727), (211, 62, 3.316338328284098, 2.895029503481432, 1.1455283354784533), (303, 125, 2.9422319968455835, 3.449869274325318, 1.1725347552551877), (329, 399, 3.0392002857597227, 3.362036519848573, 1.106224073352951), (415, 245, 3.1050739357002395, 2.936872962817174, 1.0572721309408357), (537, 448, 3.2565045223019746, 2.943513623693817, 1.1063324103849008)], [(358, 203, 3.146759004845712, 3.289238619241666, 1.0452782097950777), (381, 186, 2.8698072605774385, 3.4709898351454567, 1.2094853486596355), (412, 523, 3.197342863426018, 3.2398145652119354, 1.013283436778628), (471, 141, 3.232783051297128, 3.1110632067527693, 1.0391248381839873), (501, 325, 3.025685445242558, 3.278577997272235, 1.0835819045325128), (527, 68, 3.268209964321089, 3.0131714734575383, 1.0846412137875778)], [(252, 238, 3.002209529518101, 3.348906509518689, 1.1154806073965924), (276, 435, 3.031858243012121, 3.7348930650674763, 1.2318824845045846), (332, 73, 3.2532322912133718, 2.9716826510510073, 1.0947441814026768), (342, 320, 3.011712636236097, 3.2339308003943428, 1.0737846504625237), (380, 426, 3.3130227911993138, 3.1858210881400995, 1.0399274471290147), (495, 72, 3.3767202501444666, 3.0651928149213448, 1.1016338788563669)], [(19, 518, 3.0503922175727975, 3.3604554697014994, 1.1016470112736583), (30, 272, 3.016247817801816, 3.2841098483848894, 1.0888063736017175), (96, 444, 3.0607790057577065, 3.0969526171237685, 1.0118184329211664), (103, 280, 3.151348552946932, 3.1032296190093924, 1.015506082322358), (309, 91, 3.3434612658195215, 2.931539171743158, 1.140513931400557), (505, 384, 3.2495160632417037, 3.0123931085167337, 1.0787158070620226)], [(132, 417, 3.2089228877121156, 3.1562320514194386, 1.0166942212848324), (257, 396, 3.261896222241576, 3.2422203862305774, 1.0060686300334671), (369, 112, 3.4691879750730155, 3.022632870993381, 1.1477371295617766), (370, 360, 3.0897242574658446, 3.238852375125205, 1.0482658338520066), (391, 274, 3.0865705903404836, 3.2101355137372476, 1.0400330787131402), (433, 150, 3.376504623630983, 2.9171697386390814, 1.157459087453098)], [(153, 465, 3.0715219878472495, 3.1547900201437886, 1.0271096976111507), (290, 197, 3.0945099510617884, 3.4259981458165476, 1.107121385937382), (458, 116, 3.194254999983586, 2.936113536996145, 1.087919441715983), (472, 193, 3.348437167898343, 3.060664614438363, 1.0940228968905783), (498, 241, 2.9114306965063483, 3.3962704448202237, 1.1665297233060268), (539, 261, 3.769566238402216, 2.9116332517426615, 1.2946569545275206)], [(256, 303, 3.3978113173798925, 3.181676493879205, 1.0679311123919983), (289, 11, 2.8664150959691543, 3.270994141043471, 1.141144611484655), (376, 276, 3.3130227911993138, 3.031858243012121, 1.0927367065512466), (426, 260, 3.1858210881400995, 3.2048706316714615, 1.0059794768771786), (448, 204, 2.865991172318017, 3.375592196038874, 1.177809697616302), (491, 475, 3.424563619266559, 2.9611721613184683, 1.156489198433422)], [(91, 423, 3.099734100953242, 3.3872471296699556, 1.0927540941748186), (186, 30, 3.4709898351454567, 2.985424835075639, 1.1626451935298903), (226, 47, 3.0027611703910564, 3.2832403619994173, 1.0934070929030408), (375, 527, 2.8698072605774385, 3.268209964321089, 1.1388255961355005), (390, 164, 3.3843466314787767, 2.9341200768159585, 1.1534451702301816)], [(11, 185, 3.380663794831617, 2.9835662994666445, 1.1330949124328022), (35, 491, 3.1028590957340003, 3.19387010806388, 1.0293313391043142), (76, 97, 3.1304691298917766, 3.450176908273754, 1.1021277530991114), (110, 422, 3.253930202955873, 3.2256423017000744, 1.0087696956481782), (153, 516, 2.987514325396019, 3.360420558372048, 1.124821571500447), (458, 494, 3.042233270060502, 3.245500587540031, 1.0668151648592965)], [(3, 257, 2.985689929339029, 3.089247696773982, 1.034684702660292), (5, 373, 2.8348379712712966, 3.7158129231622987, 1.3107673033940366), (112, 175, 3.0284949428780124, 3.3267863922226293, 1.098494947150596), (316, 118, 3.5865210815797957, 3.172951957017077, 1.130342069519237), (330, 312, 3.5939184854393775, 3.0346015623523397, 1.184313133567845), (474, 293, 3.321428334556755, 2.974433989210993, 1.1166589497714174)], [(290, 430, 3.2498029387353338, 3.084356031551921, 1.0536406645312495), (336, 531, 3.3191986960219175, 3.1407232747039346, 1.0568262166729119), (498, 411, 3.003036263749825, 2.855314492137801, 1.0517357271917964), (505, 377, 3.0123931085167337, 3.2495160632417037, 1.0787158070620226)], [(59, 105, 3.454512501724665, 3.1076210765937273, 1.1116260369527313), (115, 311, 2.933036898791437, 3.2016711374251052, 1.0915891098214139), (222, 339, 3.0857804099344457, 3.3101128367031714, 1.0726987656174443), (354, 165, 3.3218137458710184, 3.138441254092852, 1.0584278872637904), (399, 532, 2.91040429550998, 3.0041987741071012, 1.032227302145555)], [(181, 485, 3.0894464651200884, 3.301182238128192, 1.0685351811072323), (206, 371, 3.2875798487998757, 2.893935180896006, 1.1360240099717753), (338, 529, 3.5691269250207465, 2.98246172462166, 1.1967050224168452), (420, 316, 3.109625319869406, 3.4138015733001112, 1.0978176539427842), (503, 489, 3.167594299848571, 2.929382320517427, 1.0813181596894008), (517, 500, 3.05617795148539, 3.5945960477628978, 1.1761736734000785)], [(81, 283, 3.2827906620368275, 3.0918664171169916, 1.0617504830942415), (165, 374, 3.306649538048984, 2.9362923747194083, 1.1261308875499727), (388, 482, 3.2600060772808077, 3.1855367826808774, 1.023377314305333), (431, 38, 2.853350087854791, 3.4230038077954377, 1.199643823015396), (479, 356, 2.9636227254717786, 3.304044022894998, 1.1148666105497715), (508, 162, 3.11968957298559, 3.196567400501707, 1.0246427811862524)], [(8, 415, 3.1855174717881694, 3.2284944458546883, 1.01349136347458), (77, 199, 2.985766560918502, 3.399384245430149, 1.1385298133905042), (116, 11, 3.065655673803655, 3.150100709860709, 1.0275455057717817), (387, 81, 3.2600060772808077, 3.2827906620368275, 1.006989123399127), (482, 203, 3.1855367826808774, 3.346759033695243, 1.050610701433711), (494, 472, 3.464467831972416, 2.851738926758309, 1.2148615006320447)], [(3, 219, 3.1549015481471754, 3.0698019639035174, 1.027721522510021), (5, 109, 3.085719004967335, 3.3645028736306775, 1.090346485929069), (144, 353, 3.480052570340591, 2.8149725066754336, 1.2362652075954506), (318, 96, 2.9038180944479026, 3.3027819678555606, 1.1373928601693324), (401, 126, 3.490305212602498, 2.8324151008252474, 1.2322717851580332), (518, 451, 2.9808921548419507, 3.1322817464501607, 1.0507866718231667)], [(7, 499, 3.2434027105192733, 2.9654167039797557, 1.0937426453983499), (70, 417, 3.0678985125992235, 3.2222168092159738, 1.0503009783351689), (164, 269, 2.9341200768159585, 3.376493808194789, 1.1507687892101828), (381, 226, 3.3843466314787767, 3.0027611703910564, 1.1270781921820394), (412, 301, 3.449065575640786, 3.089324782571677, 1.1164464141480284), (477, 20, 3.12461261058374, 3.586096311790499, 1.1476930931033222)], [(104, 487, 3.02615423982134, 3.2841396845126662, 1.085251915218491), (173, 407, 3.356642030605456, 3.087396935437208, 1.0872078002273846), (249, 95, 3.1687908930455437, 3.0978376636386686, 1.0229041147764775), (274, 200, 3.2101355137372476, 3.2474391015351878, 1.0116205648136365), (378, 369, 3.0865705903404836, 3.4691879750730155, 1.123961974474177)], [(127, 43, 3.6171605270102027, 3.6828543536474854, 1.018161711692564), (136, 247, 3.4464082105535496, 2.8707040336162977, 1.200544594704186), (317, 61, 3.9536899322036336, 3.979943222581933, 1.0066401996182), (332, 2, 3.0499540147004445, 3.185476740560508, 1.0444343505531095), (342, 220, 3.044790592107404, 2.9246402355738406, 1.0410820979182722), (415, 8, 3.1023432693563335, 3.2284944458546883, 1.0406631908675046), (537, 111, 3.0956718264202094, 3.1854773249538106, 1.0290100190101388)], [(93, 117, 3.1496268005280887, 3.162124490867587, 1.003967990854473), (350, 198, 3.288349748425666, 3.0174072964615104, 1.0897931320978402), (352, 331, 3.1010651555817783, 3.3312093099184645, 1.074214549772499), (452, 493, 2.95614769419274, 3.1861949433414414, 1.0778199443825565), (490, 513, 3.13402937258303, 3.28780308559798, 1.049065817429851), (512, 315, 3.1792830587419942, 3.424839637326926, 1.077236463079225)], [(20, 324, 3.185813171002452, 3.0636997056461075, 1.0398581705417478), (32, 304, 3.2637076959866436, 3.2648345676273656, 1.0003452734575795), (69, 412, 3.1378152343196124, 3.2238490624033513, 1.0274183856151728), (171, 489, 3.524441809197798, 3.195103419418893, 1.103075971743914), (325, 509, 3.1516737559072543, 3.484062457121131, 1.1054641840992816), (418, 157, 2.8287032058806267, 3.1984504072422975, 1.1307126179208191)], [(111, 425, 3.157735145800857, 3.285750838754249, 1.0405403515629317), (189, 136, 3.1281491189372574, 3.089841060776554, 1.0123980675404307), (300, 296, 2.97586413575663, 3.530570332397716, 1.1864017210920312), (346, 161, 3.3367863311644963, 2.8275996074375875, 1.180077378136412), (349, 478, 3.3105327913654996, 3.1867930576100907, 1.0388289203341639), (468, 302, 3.8093772962903336, 3.1741542660310587, 1.2001235532429095)], [(190, 254, 2.8824299455578726, 3.210753938262146, 1.1139052809280778), (225, 474, 3.135638599010506, 2.8235328067957193, 1.1105373351652248), (257, 378, 3.2422203862305774, 3.261896222241576, 1.0060686300334671), (438, 240, 3.660284789151241, 3.007080393963774, 1.2172221256533977)], [(96, 318, 2.974564914733546, 3.3027819678555606, 1.110341196958351), (103, 66, 3.550936878313788, 2.8733136463853044, 1.2358333670885353), (209, 286, 3.45691442261032, 2.8875955544377367, 1.1971601830795306), (264, 68, 2.9857630944241786, 3.465128170219541, 1.1605502716175178), (473, 488, 2.936008761342656, 3.327849107421055, 1.1334602100775775), (481, 463, 3.4687935346559393, 3.045093794280748, 1.1391417700075375)], [(55, 52, 3.0958134575487923, 3.0952191523283625, 1.000192007477074), (75, 33, 3.3073730406252664, 3.0305463916862316, 1.0913454582640476), (93, 442, 3.024628397678057, 3.562320484730432, 1.1777712883556704), (133, 295, 3.5352218190275853, 3.284837138281858, 1.0762243819724626), (255, 213, 2.983470831116972, 3.230982586641851, 1.082961010693781), (352, 288, 3.150879467424001, 2.80915442138788, 1.1216469423803657)], [(207, 299, 3.0295404923234535, 3.167605438785687, 1.045572900184723), (329, 374, 3.362036519848573, 3.0392002857597227, 1.106224073352951), (385, 283, 2.91040429550998, 3.2997236821530174, 1.1337681459732791), (434, 298, 3.4713076061902726, 2.8679327352323347, 1.2103866884831445), (468, 285, 3.205259789319713, 3.0394688377208783, 1.0545460277602818), (532, 170, 3.0041987741071012, 2.9135546556875407, 1.0311111783136158)], [(42, 364, 3.3520239412124013, 3.2040972148680726, 1.0461679894286289), (109, 514, 3.0038338182328124, 3.104972040254367, 1.0336697128208827), (238, 252, 3.035598205147131, 3.348906509518689, 1.1032113880685248), (421, 308, 3.2992999358229596, 2.906389174901144, 1.135188626600627), (483, 200, 2.97744842648178, 3.225277419614823, 1.0832353604948528), (536, 401, 3.0439726284496915, 3.101343144545744, 1.0188472509771782)], [(14, 313, 3.3724089410369094, 2.9936814390045714, 1.1265089521877347), (126, 33, 2.8324151008252474, 3.5425560604879798, 1.250719239371315), (225, 288, 3.1195086569446957, 3.2467974565804463, 1.040804118094809), (389, 318, 3.490305212602498, 2.9038180944479026, 1.2019710254151106), (438, 137, 3.1789008328636488, 3.112532883671786, 1.0213228106086931), (536, 400, 3.101343144545744, 3.0439726284496915, 1.0188472509771782)], [(45, 210, 3.108107611415448, 3.0321108513094845, 1.0250639781435242), (86, 21, 3.164999972600058, 3.383813441697338, 1.0691353778804378), (104, 132, 3.185817224560477, 3.137544757187182, 1.0153854274947687), (159, 465, 2.984894306050817, 3.120641116477984, 1.04547792869985), (306, 327, 3.180520120096998, 2.9450350056462007, 1.0799600391843651), (497, 261, 3.3027656053411603, 3.4655920409523864, 1.0493000276337827)], [(96, 469, 2.9545018363495466, 3.3097645139914116, 1.1202445276124153), (146, 197, 3.6995560479066225, 3.0910156202292742, 1.1968739412686016), (175, 237, 3.1072716813554093, 3.2294285979661566, 1.0393132397606963), (234, 5, 3.3977882959836343, 3.1747895988805253, 1.070240464811193), (481, 265, 3.0556383773337377, 3.1538784563710016, 1.032150427146744), (505, 241, 3.3341533033763313, 3.095169577403205, 1.0772118360550795)], [(71, 105, 2.9780131805371033, 3.260562029233435, 1.094878306967524), (108, 457, 3.687105499657023, 3.0723647859199916, 1.2000871499876122), (125, 140, 3.149710630874017, 3.189585314960798, 1.0126597928380856), (193, 244, 3.5385316786672907, 3.170659141190159, 1.1160239940957655), (356, 539, 3.147884651538419, 3.016537387801347, 1.0435423954194072), (519, 165, 2.9272621178104443, 3.3518727086120816, 1.1450538331426365)], [(269, 164, 2.888966924829519, 3.376493808194789, 1.1687547473026327), (277, 350, 3.0793864378240983, 3.1821674428203273, 1.0333771051706178), (298, 427, 3.2701135256920644, 3.11587187111503, 1.0495019246480883), (302, 468, 3.1993324720534164, 3.1741542660310587, 1.007932256567303), (435, 276, 2.96508595743958, 3.7348930650674763, 1.2596238755562563), (493, 67, 3.3414213646605444, 3.007931449815717, 1.1108701845134334)], [(108, 123, 3.1706741115832973, 3.1610094064364813, 1.003057474339411), (193, 36, 2.7199861888244623, 3.150530354474014, 1.1582890999294473), (195, 176, 2.8245756504933506, 3.5593456951059057, 1.260134666417668), (429, 290, 3.272915854643634, 3.071636816279431, 1.0655282673060305), (447, 295, 3.349977071083289, 3.1144256692476495, 1.0756323723380246), (531, 194, 3.160786186448746, 2.88767197657496, 1.0945793746967494)], [(32, 461, 3.2410708053103465, 3.130450488688438, 1.0353368682947146), (122, 335, 3.396126268716366, 2.9739545879481826, 1.1419563306309435), (173, 391, 3.087396935437208, 3.356642030605456, 1.0872078002273846), (231, 297, 3.22917791183968, 2.891553304084559, 1.1167623668836395), (360, 485, 3.10654096819586, 3.073577049139953, 1.0107249366223405), (418, 100, 2.906931178035758, 3.481468509706455, 1.1976439401151966)], [(56, 270, 2.995784295616037, 3.0795045638868705, 1.027946026819537), (121, 279, 3.398897714183604, 3.3357559212122108, 1.0189287809008662), (411, 76, 3.0413975520219747, 3.0560376426610816, 1.0048136063729565), (439, 336, 3.16733391068969, 2.870153491373596, 1.1035416468872783), (482, 248, 3.1184957778119675, 3.234837412702951, 1.037306972072482), (494, 479, 3.1122356998345784, 3.326557849008751, 1.0688643694902555)], [(60, 253, 3.702332572027588, 2.878770210330181, 1.2860813130350368), (210, 45, 3.3056241653773113, 3.0321108513094845, 1.0902055787141502), (250, 262, 3.0025107782376232, 3.178583225599958, 1.0586417369884293), (299, 207, 3.040957046472888, 3.167605438785687, 1.0416475439729391), (334, 478, 3.0796800332461265, 3.0391300358622146, 1.0133426332224733)], [(80, 250, 3.060880382596036, 3.373019414179183, 1.1019768800368512), (101, 470, 3.1810761909498813, 2.951011634577805, 1.0779612501951357), (207, 160, 3.214091474474762, 3.3256977198315862, 1.0347240413793957), (229, 182, 2.9864000926493626, 3.2247423617637536, 1.079809222381502), (427, 158, 3.0366869423404292, 3.295730849069048, 1.085304778413862), (434, 302, 3.286316004925123, 2.9016360122181775, 1.1325734830582264)], [(76, 419, 3.0560376426610816, 3.5042965039249507, 1.1466797578034877), (368, 39, 3.1225758557580945, 2.985321843980429, 1.045976286293695), (408, 56, 3.0413975520219747, 2.995784295616037, 1.0152258146464974), (458, 212, 3.4367751173775245, 3.08547297622838, 1.113856819961058), (498, 384, 2.855314492137801, 3.003036263749825, 1.0517357271917964)], [(69, 394, 3.2238490624033513, 3.1378152343196124, 1.0274183856151728), (106, 528, 3.148663117975456, 3.154855562587185, 1.0019666901093283), (301, 462, 3.089324782571677, 2.9569681641622148, 1.0447609210046949), (375, 471, 3.197342863426018, 3.232783051297128, 1.0110842625845684), (390, 70, 3.449065575640786, 3.0678985125992235, 1.1242437001994), (523, 89, 3.2398145652119354, 3.077438120403443, 1.0527635125242438)], [(55, 291, 3.150639890119308, 3.0145882945515963, 1.0451310700746779), (92, 155, 3.1743458236989808, 3.7900227139742784, 1.1939539434168724), (154, 480, 3.098486227088526, 3.196646151861502, 1.0316799616260393), (209, 280, 3.314122523483043, 3.0198675452235997, 1.097439696891625), (255, 83, 3.005284211061149, 3.0077393645481805, 1.0008169455248177), (264, 444, 3.025198504332868, 3.248108464429941, 1.0736844077430978)], [(62, 239, 3.3000992697356835, 3.1480452859286903, 1.0483010789224199), (189, 537, 3.5818481840801604, 2.999315348624523, 1.1942219365905573), (214, 297, 3.121886577927251, 3.449564986585881, 1.1049616635579982), (247, 315, 3.1477674854956144, 3.321169291275405, 1.0550872345491835), (310, 16, 2.9114248400587095, 3.275678363742696, 1.1251117729958784), (349, 285, 3.1887672138631316, 3.100394308524693, 1.028503763245679)], [(8, 388, 3.2284944458546883, 3.1855174717881694, 1.01349136347458), (243, 196, 2.8907404467069613, 3.415431252338681, 1.1815074079824186), (245, 128, 2.936872962817174, 3.9111861785513002, 1.3317519103037823), (320, 188, 3.4035965528464205, 2.9341048773387417, 1.1600118929400751), (374, 329, 3.1050739357002395, 3.0392002857597227, 1.0216746656181792), (392, 332, 3.1023432693563335, 3.0499540147004445, 1.017177063786332)], [(25, 526, 3.21544374146933, 3.3131349517058823, 1.03038187512866), (78, 325, 3.3201328519079913, 3.0988343895170893, 1.0714134524708783), (199, 26, 3.6331585286290076, 3.1670244662786793, 1.1471836000364233), (323, 51, 3.4144909846861813, 2.8722794723512184, 1.188773939846151), (489, 131, 2.98156925142103, 3.199312171197943, 1.0730296368843808), (521, 116, 3.018016802491453, 3.3030504226293638, 1.0944440136657316)], [(9, 240, 3.0623682304285205, 3.4029994978804954, 1.1112313222385768), (19, 292, 3.5720858147372283, 2.9410499602341855, 1.2145614195730274), (30, 267, 3.7138078303502016, 2.9426803211503123, 1.2620493648791762), (70, 390, 3.2222168092159738, 3.0678985125992235, 1.0503009783351689), (132, 378, 3.1562320514194386, 3.2089228877121156, 1.0166942212848324), (487, 306, 2.9370897025884433, 3.0511846555034943, 1.0388462609141627)], [(100, 365, 3.481468509706455, 2.9126757945281554, 1.1952818491666155), (157, 504, 3.1984504072422975, 3.0565597162645055, 1.0464216976435192), (166, 446, 3.3170847750298806, 3.110684708541374, 1.0663519725807535), (328, 301, 3.2617784944761694, 3.0963684429204994, 1.053420661851099), (394, 20, 2.8287032058806267, 3.185813171002452, 1.1262451162707439), (407, 122, 2.906931178035758, 3.396126268716366, 1.1682857490321328)], [(35, 98, 2.907348597903755, 3.043039875352036, 1.0466718292901362), (76, 411, 3.5042965039249507, 3.0560376426610816, 1.1466797578034877), (252, 220, 2.8209730184315753, 3.618258504629908, 1.282627831244417), (440, 109, 3.0655056573162645, 3.1658211225777917, 1.032723953721015), (495, 2, 3.293156185452739, 3.1075904045375635, 1.059713719235399)], [(174, 168, 3.028603037637261, 3.3222692373399756, 1.0969642426073165), (316, 109, 3.4138015733001112, 3.341528126298138, 1.021628860889476), (364, 258, 3.042461781810881, 3.622503945686218, 1.1906489564940712), (386, 338, 3.109625319869406, 3.5691269250207465, 1.1477675146955126), (424, 446, 3.225967083572584, 3.1657290741692012, 1.0190281631788696)], [(176, 220, 3.125325264365802, 3.1616155406872832, 1.0116116798258583), (184, 258, 3.0823420509621258, 3.03577605706026, 1.0153390741038253), (232, 126, 3.5126677421013923, 2.9247999932243465, 1.2009941706232605), (308, 447, 2.906389174901144, 3.675187202751148, 1.2645199873744208), (361, 187, 3.427308552710056, 3.2483343648453022, 1.0550972183780338), (400, 109, 3.2992999358229596, 3.0038338182328124, 1.0983630039041152)], [(110, 382, 3.2256423017000744, 3.253930202955873, 1.0087696956481782), (272, 30, 3.0051852055567467, 3.2841098483848894, 1.0928144602576892), (306, 119, 3.218521002430938, 3.3277963817927, 1.033952047937306), (324, 20, 3.468919414288381, 3.0636997056461075, 1.1322648260518131), (466, 460, 3.379528583908741, 3.0432168620182027, 1.1105119145756517), (497, 372, 2.923890215085142, 3.1804936759101197, 1.08776097662665)], [(91, 381, 3.3872471296699556, 3.099734100953242, 1.0927540941748186), (121, 15, 2.8492184720480767, 3.636696127537174, 1.2763837393357351), (203, 500, 3.0729890156694966, 3.0799489299440057, 1.0022648679311965), (241, 505, 3.1523943164629853, 3.095169577403205, 1.0184884018884002), (499, 529, 3.261985628310783, 2.8548652815472364, 1.1426057997885286)], [(118, 337, 3.0559218970508684, 3.5866980649813254, 1.173687740004967), (143, 367, 3.3799451909403677, 3.0855678206478374, 1.095404602135993), (163, 134, 2.8946880051608352, 3.345502973928838, 1.155738707578938), (420, 174, 3.225967083572584, 3.028603037637261, 1.0651666935159965), (446, 166, 3.1657290741692012, 3.110684708541374, 1.0176952570849387), (503, 441, 3.2716228988294294, 2.9365714675410746, 1.1140961270623897)], [(29, 348, 3.1184179142998456, 3.0442734927040664, 1.0243553746972716), (111, 395, 3.285750838754249, 3.157735145800857, 1.0405403515629317), (160, 135, 3.2583854758202597, 2.939341080511237, 1.1085428286714964), (256, 342, 3.194195550728337, 2.878727982873827, 1.109585750974491), (426, 530, 2.885298605352015, 3.2911670962045645, 1.1406677596903467)], [(22, 300, 3.0756918560987794, 3.015505176090646, 1.0199590703691512), (260, 450, 3.2048706316714615, 3.286542455408161, 1.0254836569468966), (263, 53, 3.1444651982098106, 3.4841151475264738, 1.1080151720267188), (380, 376, 3.1858210881400995, 3.3130227911993138, 1.0399274471290147), (425, 160, 2.885298605352015, 3.2583854758202597, 1.129306155618069), (530, 38, 3.2911670962045645, 3.008249822504741, 1.094047133846171)], [(31, 262, 3.090983443980383, 2.994822956170686, 1.0321089056738941), (158, 114, 3.295730849069048, 3.1619824187900414, 1.0422989164911887), (235, 524, 3.144064388841977, 3.019026654169993, 1.0414165719601307), (240, 9, 2.809290099124834, 3.4029994978804954, 1.2113378746255565), (298, 405, 3.11587187111503, 3.2701135256920644, 1.0495019246480883), (410, 207, 3.0366869423404292, 3.214091474474762, 1.058420421829062)], [(21, 273, 3.277287687316394, 2.8675582106300412, 1.1428844496224995), (41, 78, 3.0829160513391756, 3.007363979491309, 1.025122357108449), (44, 275, 2.9683909470503957, 3.2488882477997443, 1.0944947298899663), (51, 333, 2.935853915562805, 3.286308026959834, 1.119370418786606), (372, 497, 3.2363988564049233, 3.1804936759101197, 1.0175775166346797), (511, 456, 3.630256445025419, 3.25867886704957, 1.1140270622346649)], [(278, 63, 3.0550117659339753, 3.140447605846574, 1.0279657973384202), (284, 23, 3.320777572973555, 2.9422042232503465, 1.1286699769960178), (290, 516, 3.071636816279431, 3.2284297622478224, 1.0510454052176355), (336, 496, 3.1221794369380085, 3.042748022773085, 1.0261051567761865), (406, 195, 3.272915854643634, 2.8245756504933506, 1.158728339979839), (472, 494, 3.3421805442616788, 2.851738926758309, 1.1719798446139231)], [(50, 488, 2.9861271819926913, 3.5109847583918303, 1.1757653121957428), (167, 65, 2.9203111406261097, 3.4048959948538573, 1.1659360358854958), (284, 108, 3.1892925570822745, 3.194918030235297, 1.0017638623777334), (290, 384, 3.084356031551921, 3.2498029387353338, 1.0536406645312495), (454, 172, 2.9988308382176925, 3.2812755239513693, 1.094184934386477), (539, 212, 3.4811857299456883, 2.833145830699028, 1.2287351015343846)], [(38, 530, 3.4230038077954377, 3.008249822504741, 1.137872188070259), (116, 368, 3.3526642850514214, 2.9535099091215455, 1.1351457717128821), (212, 539, 3.3126500761638735, 2.833145830699028, 1.1692479929091883), (387, 165, 2.853350087854791, 3.306649538048984, 1.1588656968956073), (533, 78, 2.964039885966948, 3.097957167333639, 1.0451806610298038)], [(114, 321, 3.1727956403744177, 3.2176235365785955, 1.0141288318836972), (178, 139, 3.1249274716418287, 3.7227141551470075, 1.1912961785289382), (188, 125, 3.42585678924275, 2.8411066681526678, 1.2058177285790876), (208, 235, 2.9855109693324553, 3.409699540178146, 1.1420824023770166), (244, 439, 3.3911979509571, 3.3972336288700835, 1.0017798070181305), (270, 245, 3.7805428300144, 3.0562400838633694, 1.2369914425163369)], [(49, 328, 3.3252551078936508, 3.004385266108441, 1.106800497727387), (150, 92, 2.9171697386390814, 3.648145528192271, 1.2505770507184146), (378, 257, 3.376504623630983, 3.261896222241576, 1.0351355143084988), (444, 175, 3.2145020843237644, 3.3146274966796736, 1.0311480315549313), (469, 30, 3.0705243808612455, 3.10832802994952, 1.0123117892578566), (504, 86, 2.8820887701096494, 3.8935704552319867, 1.3509543826729027)], [(222, 47, 3.173408548510842, 3.072079666271771, 1.032983806817107), (298, 525, 2.8679327352323347, 3.1922332835661495, 1.113078157081513), (302, 227, 2.9016360122181775, 3.2958706371335587, 1.1358663261881718), (399, 329, 3.4713076061902726, 3.362036519848573, 1.0325014572853661), (410, 80, 3.286316004925123, 3.060880382596036, 1.0736505822347386), (515, 450, 2.980913406047323, 3.202006176155486, 1.074169470894269)], [(130, 281, 3.4032749814090018, 2.8916348192678414, 1.1769380278353083), (276, 376, 3.7348930650674763, 3.031858243012121, 1.2318824845045846), (405, 302, 2.96508595743958, 3.1993324720534164, 1.079001593200392), (507, 156, 3.1469051054161548, 2.7967048951454974, 1.1252188641277572), (525, 158, 3.0832721091795516, 3.399659710101203, 1.1026142324511996)], [(87, 492, 3.1995743239178007, 3.1867179824160847, 1.0040343518229902), (97, 241, 2.921272624069847, 3.218991588390329, 1.1019141321721992), (373, 5, 2.886802082855901, 3.7158129231622987, 1.2871727318023343), (419, 35, 3.751010480560893, 2.907348597903755, 1.2901825681534822), (451, 124, 3.0365815346213734, 3.4183867518437587, 1.1257352100937386), (529, 338, 3.1392209953438908, 2.98246172462166, 1.0525603629471947)], [(70, 319, 3.164414220873724, 2.9823743972681838, 1.0610385549756216), (327, 530, 3.346776810378991, 2.9725959444296794, 1.125876800259546), (449, 18, 3.165586550174065, 3.085273073769242, 1.026031237587247), (450, 515, 2.9994657912547114, 3.202006176155486, 1.0675254858686185), (477, 69, 3.444861340858145, 2.7849501053822183, 1.2369562148350797), (487, 104, 3.0250655488778344, 3.2841396845126662, 1.0856424865672536)], [(31, 233, 3.267516251131788, 2.9496629943236368, 1.1077591770381332), (137, 210, 3.112532883671786, 3.7405267779509352, 1.2017629749627958), (144, 132, 3.239737747426439, 3.279692083334005, 1.012332583382499), (240, 102, 3.007080393963774, 3.3381177300953238, 1.1100859613850211), (396, 190, 3.660284789151241, 2.8824299455578726, 1.26986079741231), (401, 536, 3.1789008328636488, 3.101343144545744, 1.0250077739557146)], [(244, 432, 3.3972336288700835, 3.3911979509571, 1.0017798070181305), (305, 66, 2.9780279908864693, 3.4081645936396794, 1.1444367225793506), (336, 463, 2.870153491373596, 3.715348803558551, 1.2944773910960636), (408, 482, 3.16733391068969, 3.1184957778119675, 1.01566079814031), (472, 356, 3.4202928936685315, 3.0512526694826603, 1.120947120465262), (498, 259, 3.0057396306022124, 3.504383987601379, 1.1658973890893076)], [(109, 316, 3.1658211225777917, 3.341528126298138, 1.0555012418317797), (238, 176, 3.3443852435961494, 3.262602681808449, 1.0250666629570624), (259, 498, 2.90106176636602, 3.504383987601379, 1.2079660034233273), (373, 518, 3.1885275761174894, 3.247165256651446, 1.0183902064931667), (419, 495, 3.0655056573162645, 3.293156185452739, 1.074261982715039), (465, 159, 3.3739098552632516, 3.120641116477984, 1.0811592007321595)], [(2, 332, 3.2378763170187073, 3.185476740560508, 1.0164495241139255), (39, 248, 3.150029713250805, 3.3389567585642377, 1.0599762740391618), (72, 76, 3.18805468486839, 2.973616277035373, 1.0721136783818008), (185, 351, 3.0743803175583073, 3.229131495583902, 1.0503357301443106), (338, 79, 3.3310830782579157, 2.8771110934075033, 1.1577874368113994), (503, 424, 2.9365714675410746, 3.2716228988294294, 1.1140961270623897)], [(27, 24, 2.9186037394267608, 3.4449891696583856, 1.1803552236711008), (58, 142, 3.0629626023982492, 3.276800903645684, 1.0698142057235707), (67, 120, 2.882986538664661, 3.1466162555198802, 1.091443270136574), (93, 398, 3.562320484730432, 3.024628397678057, 1.1777712883556704), (452, 277, 3.4299534232323894, 2.910912350305406, 1.1783087260846334), (484, 88, 3.309906628992037, 3.059134699492522, 1.0819747916105542)], [(0, 338, 3.035237755535734, 3.102057576273999, 1.0220146908150434), (127, 245, 2.9442968584178857, 3.3713278169596106, 1.1450366518990172), (276, 492, 2.8257946704320465, 3.2040255535362903, 1.1338493865325376), (332, 448, 3.288181856526635, 3.196709630771691, 1.0286144931258152), (371, 258, 3.284945911017667, 2.970155669117857, 1.105984425386466), (507, 277, 3.2015314287797194, 3.377987884291869, 1.0551162652741495)], [(96, 377, 3.0969526171237685, 3.0607790057577065, 1.0118184329211664), (175, 347, 3.3146274966796736, 2.9686098004008095, 1.1165588337787427), (264, 413, 3.248108464429941, 3.025198504332868, 1.0736844077430978), (369, 3, 2.927071438464555, 3.4965535415377267, 1.1945569539539163), (433, 504, 3.2145020843237644, 2.8820887701096494, 1.1153376390281928), (462, 301, 3.4133899540508272, 2.9569681641622148, 1.1543546513014045)], [(4, 325, 3.4527904914873053, 3.0235980412432073, 1.1419475883995571), (81, 354, 3.2178384123229913, 3.0128464704994413, 1.068039292353841), (324, 327, 3.140389686724783, 3.071709328210865, 1.022359003139767), (431, 116, 2.9209266070213094, 3.3526642850514214, 1.147808464955026), (466, 261, 2.945113631390019, 3.265999695059311, 1.108955410157754)], [(166, 418, 3.110684708541374, 3.3170847750298806, 1.0663519725807535), (297, 214, 2.9193179814989922, 3.449564986585881, 1.1816338639529158), (323, 65, 3.3418251517534565, 2.9263605379473026, 1.1419731466504746), (424, 420, 3.1657290741692012, 3.225967083572584, 1.0190281631788696), (489, 185, 2.773626144831022, 3.284938671259404, 1.1843480338477748), (510, 172, 3.019743956840392, 3.5032056228928434, 1.1601002180854783)], [(12, 265, 2.8092387429973984, 3.538367548005047, 1.2595467568661265), (278, 197, 2.907141659495836, 3.0723075884555997, 1.0568138564628486), (295, 138, 3.1144256692476495, 2.987833648265123, 1.042369166387838), (308, 421, 3.675187202751148, 2.906389174901144, 1.2645199873744208), (406, 193, 3.349977071083289, 2.7199861888244623, 1.2316154710076301), (457, 228, 3.3950573920852594, 3.162972285844094, 1.0733756369854595)], [(22, 170, 3.0202977558449122, 3.130159813213813, 1.0363745783528444), (204, 214, 3.375592196038874, 2.878342707480302, 1.1727554843508763), (251, 185, 3.3976232712963927, 2.906445751749418, 1.168995935758075), (332, 443, 3.196709630771691, 3.288181856526635, 1.0286144931258152), (380, 491, 2.865991172318017, 3.424563619266559, 1.1948967785887379), (537, 374, 2.943513623693817, 3.2565045223019746, 1.1063324103849008)], [(18, 151, 3.085273073769242, 3.294217853981194, 1.0677232696153818), (186, 309, 3.0011543505702614, 3.5295348215655666, 1.1760590790323415), (272, 467, 3.1095535974346697, 2.9433991576201515, 1.056449849618378), (324, 38, 3.298521965913676, 3.0796662184477857, 1.0710647621988718), (366, 501, 3.049206440639224, 3.5132692009249924, 1.152191322339095), (437, 450, 3.165586550174065, 2.9994657912547114, 1.055383448413947)], [(124, 451, 2.8160009098688645, 3.4183867518437587, 1.21391535772016), (260, 426, 3.286542455408161, 3.2048706316714615, 1.0254836569468966), (266, 54, 2.8841524044147593, 3.499960000892225, 1.2135142357716089), (437, 449, 2.9994657912547114, 3.165586550174065, 1.055383448413947), (470, 353, 3.4840431962712333, 3.093457498754077, 1.1262618599655785), (515, 434, 3.202006176155486, 2.980913406047323, 1.074169470894269)], [(124, 450, 3.4183867518437587, 2.8160009098688645, 1.21391535772016), (281, 79, 3.1001421615061404, 3.478460778163109, 1.1220326671965166), (313, 525, 3.112557037246623, 3.0476161020408923, 1.0213087649596817), (319, 309, 3.0434821176563394, 3.2257112717365386, 1.0598752176078257), (518, 389, 3.1322817464501607, 2.9808921548419507, 1.0507866718231667)], [(43, 74, 2.8660303855669613, 3.605322539716054, 1.2579498660837978), (43, 127, 2.8660303855669613, 3.6828543536474854, 1.2850018521066513), (277, 89, 2.910912350305406, 3.13762354975632, 1.0778832105429514), (393, 352, 2.95614769419274, 3.1010651555817783, 1.049022402254706), (442, 27, 3.4299534232323894, 2.9186037394267608, 1.1752035320512753), (455, 311, 3.309464821301094, 3.011513096358524, 1.0989375491352997), (493, 339, 3.1861949433414414, 2.875861860153412, 1.1079095931163656)], [(6, 64, 3.1867427394594463, 2.9845562292124654, 1.0677442456161503), (54, 69, 3.3527425620921076, 3.0628085891785957, 1.0946627791034333), (89, 282, 3.111111594828166, 3.021147524496202, 1.0297781123240468), (227, 455, 3.1330831755778297, 3.0655946913007805, 1.0220148098731254), (294, 515, 2.9972587553559586, 3.4323016058156246, 1.1451469112175467), (304, 300, 3.1685842466260765, 3.5066457234995747, 1.1066916485599105)], [(51, 323, 3.5150334477700254, 2.8722794723512184, 1.223778354998532), (147, 110, 2.9326911743662105, 3.2784801857011536, 1.1179084297580948), (172, 200, 3.2812755239513693, 2.9401232616568467, 1.1160333196718675), (372, 221, 3.3720772235472243, 2.72654208085076, 1.2367596477715241), (430, 284, 2.9988308382176925, 3.1892925570822745, 1.063511991552608), (516, 514, 3.0260897014876855, 3.328337790845077, 1.0998807435248201)], [(58, 480, 3.0175109184766953, 3.468568995112218, 1.1494801804605321), (227, 453, 3.0655946913007805, 3.1330831755778297, 1.0220148098731254), (271, 222, 3.061968179555648, 3.4425956546298444, 1.124308109279383), (311, 145, 3.011513096358524, 3.322432720751312, 1.1032436567414392), (452, 43, 3.309464821301094, 2.8660303855669613, 1.1547207726642479), (490, 291, 3.401495787847332, 3.0102533384727734, 1.1299699411920765)], [(49, 370, 3.4467780534866264, 2.9253914593024737, 1.1782279744224287), (68, 202, 2.999811588522652, 3.1449007720146405, 1.0483660987400352), (150, 473, 3.163713408874697, 3.212711828237726, 1.0154876289443857), (217, 191, 2.8585769726262877, 3.454395092767328, 1.2084317217435774), (511, 428, 3.25867886704957, 3.630256445025419, 1.1140270622346649), (522, 501, 2.997921556710785, 3.1576436462917497, 1.0532776080226083)], [(34, 196, 3.1565278644537402, 2.8866751297091824, 1.0934821975522213), (84, 167, 3.286717100561865, 3.0053580600169183, 1.0936191411892409), (108, 404, 3.0723647859199916, 3.687105499657023, 1.2000871499876122), (228, 344, 3.162972285844094, 3.1328416909197405, 1.0096176563953692), (287, 361, 2.810868747235087, 3.6767431624295486, 1.3080451252112641), (447, 12, 3.3950573920852594, 2.8092387429973984, 1.2085328812113723)], [(116, 521, 2.936113536996145, 3.3030504226293638, 1.124973670469372), (212, 466, 3.08547297622838, 3.3897054178830555, 1.0986015576861616), (379, 290, 3.194254999983586, 3.0945099510617884, 1.0322329061787547), (382, 35, 3.042233270060502, 3.1028590957340003, 1.0199280660921484), (494, 36, 3.245500587540031, 3.077568949388999, 1.0545663284601219)], [(2, 495, 3.116380488876878, 3.1075904045375635, 1.002828585236484), (73, 136, 3.4081667665448494, 3.0250031822478287, 1.1266655144515578), (131, 296, 3.259043638617252, 3.3456786776640586, 1.0265829637935022), (143, 363, 3.0126371025145566, 3.1312985828551896, 1.0393879104262473), (206, 312, 3.0415664165780254, 3.0685606306227906, 1.0088751026108236), (503, 25, 2.8535159371536993, 3.4057142421753928, 1.1935150590301224)], [(46, 23, 3.333916060095908, 3.3464459920722014, 1.0037583225703448), (81, 113, 3.035301980251455, 3.007910635776715, 1.0091064355931794), (135, 160, 3.308296690530383, 2.939341080511237, 1.1255232380023668), (151, 182, 3.0111434331982165, 3.3427462521398987, 1.11012521532044), (466, 422, 3.0432168620182027, 3.379528583908741, 1.1105119145756517), (479, 494, 3.005724338895261, 3.326557849008751, 1.1067408298098989)], [(20, 4, 2.9941942547357097, 3.1196711017730467, 1.0419067155842943), (32, 407, 3.130450488688438, 3.2410708053103465, 1.0353368682947146), (170, 532, 3.0112431873090935, 2.9135546556875407, 1.0335289854373781), (307, 251, 3.0563451787906124, 3.1347144034757415, 1.025641483569647), (327, 306, 3.2780115129259384, 2.9450350056462007, 1.1130636840110075)], [(49, 157, 3.054939485919205, 3.0396119786127955, 1.005042586821692), (68, 154, 3.0832078877456577, 3.116026228599773, 1.0106442192836083), (168, 219, 3.461591956464979, 2.860138991215845, 1.2102880199515955), (237, 526, 3.29331922587049, 3.273137615172774, 1.0061658301820748), (301, 412, 2.9569681641622148, 3.089324782571677, 1.0447609210046949), (444, 96, 3.4133899540508272, 3.0969526171237685, 1.1021770030246518)], [(12, 139, 3.362314470515118, 3.111727276895743, 1.080529934445078), (201, 506, 3.0455962777832166, 3.081895517744509, 1.0119185987407737), (278, 84, 3.6068117681996603, 2.8247435083217547, 1.2768634594871768), (336, 439, 3.715348803558551, 2.870153491373596, 1.2944773910960636), (481, 397, 3.045093794280748, 3.4687935346559393, 1.1391417700075375)], [(23, 284, 3.9016401787835564, 2.9422042232503465, 1.326094275832862), (155, 57, 3.4026019884029313, 3.0088106883822476, 1.1308793875072327), (216, 151, 2.9098095958497163, 3.378997929624203, 1.161243654720121), (488, 221, 2.9472576128192305, 3.1150210505654576, 1.0569218778217868)], [(35, 289, 3.5027637251728874, 3.001260939592734, 1.1670973619668692), (153, 379, 3.1547900201437886, 3.0715219878472495, 1.0271096976111507), (159, 402, 3.120641116477984, 2.984894306050817, 1.04547792869985), (337, 118, 2.9440209979967995, 3.5866980649813254, 1.218299077153941), (440, 373, 3.3739098552632516, 3.1885275761174894, 1.0581404032802793), (475, 90, 2.9802851928897, 3.2967486865999818, 1.1061856410471365)], [(18, 28, 2.9940080841216705, 3.318291022061406, 1.1083106420652393), (212, 458, 3.3897054178830555, 3.08547297622838, 1.0986015576861616), (261, 50, 3.265999695059311, 3.0403540217572878, 1.074216907533552), (422, 306, 3.379528583908741, 3.218521002430938, 1.050025331932336), (445, 4, 2.945113631390019, 3.4527904914873053, 1.1723793794189448), (460, 135, 3.0432168620182027, 3.308296690530383, 1.0871051392428157)], [(104, 353, 2.9474027330231807, 3.105072923156939, 1.0534946203201876), (272, 449, 2.9433991576201515, 3.1095535974346697, 1.056449849618378), (469, 96, 2.942517665628377, 3.3097645139914116, 1.124807015656305), (497, 147, 3.4343306579968096, 3.1796514647550387, 1.0800965753840543), (504, 157, 3.4465568561604245, 3.0565597162645055, 1.127593495988537)], [(115, 13, 3.1374190947153466, 2.971593517427857, 1.0558035869693996), (285, 335, 3.0394688377208783, 3.140999542418886, 1.0334040946358707), (302, 405, 3.1741542660310587, 3.1993324720534164, 1.007932256567303), (399, 207, 3.205259789319713, 3.0295404923234535, 1.05800196347978), (532, 260, 3.148261551982456, 3.8719363928185238, 1.2298649044519097)], [(30, 186, 3.10832802994952, 2.985424835075639, 1.0411677404937134), (96, 403, 3.3097645139914116, 2.9545018363495466, 1.1202445276124153), (132, 144, 2.9518445796148325, 3.279692083334005, 1.111065299976583), (433, 49, 3.0705243808612455, 3.3252551078936508, 1.0829600079452737), (467, 497, 2.942517665628377, 3.4343306579968096, 1.1671402004186118), (473, 359, 3.519831841249142, 3.0304708179470605, 1.161480196543714)], [(9, 518, 3.234958914758185, 3.160926302000579, 1.0234211764794232), (101, 410, 2.951011634577805, 3.1810761909498813, 1.0779612501951357), (119, 263, 3.07554276082464, 3.433613003334017, 1.116425057414376), (353, 249, 3.093457498754077, 3.4159211306402733, 1.1042405244022495), (450, 266, 3.4840431962712333, 2.8841524044147593, 1.2079955244175806), (487, 272, 3.25709060932503, 3.1583318679618064, 1.0312692729871216)], [(141, 271, 3.1110632067527693, 3.193672165296996, 1.0265532883950794), (226, 28, 3.205020457075717, 3.2049530458481486, 1.000021033452473), (357, 538, 3.2090211368760597, 2.9943475132211, 1.0716929557130894), (375, 412, 3.232783051297128, 3.197342863426018, 1.0110842625845684), (480, 154, 3.0108367001341865, 3.196646151861502, 1.0617135601273342)], [(193, 188, 3.060664614438363, 3.2073873849490195, 1.0479382059107383), (356, 46, 3.0512526694826603, 3.411824626277363, 1.1181717792174313), (379, 153, 3.348437167898343, 3.0715219878472495, 1.0901556886607788), (429, 278, 3.3421805442616788, 3.0550117659339753, 1.0939992380814647), (439, 305, 3.4202928936685315, 2.9780279908864693, 1.1485093169491711), (494, 388, 2.851738926758309, 3.464467831972416, 1.2148615006320447)], [(150, 456, 3.212711828237726, 3.163713408874697, 1.0154876289443857), (267, 28, 3.2173104890362794, 3.10231849511714, 1.0370664695130851), (359, 322, 3.0304708179470605, 3.4581484975110053, 1.1411258201303742), (397, 481, 2.936008761342656, 3.4687935346559393, 1.1814656619313484), (469, 132, 3.519831841249142, 2.9518445796148325, 1.1924177395912974)], [(42, 363, 3.725014117288715, 2.8056164804160364, 1.3276989721475916), (225, 396, 2.8235328067957193, 3.135638599010506, 1.1105373351652248), (293, 139, 2.974433989210993, 3.1804758304375054, 1.069270940950069), (383, 112, 3.321428334556755, 3.0284949428780124, 1.0967257324855773), (502, 156, 2.8864383357192165, 3.4611499249062287, 1.199107523647759), (536, 321, 3.391980989157446, 2.821342850488343, 1.2022576371993683)], [(53, 45, 2.923933570547004, 3.13962136190888, 1.0737663104027104), (90, 253, 3.2967486865999818, 3.195365308638267, 1.0317282589529395), (238, 321, 2.9452721120778285, 3.411229790093119, 1.1582053067709819), (465, 153, 2.9802851928897, 3.1547900201437886, 1.0585530632002664), (483, 363, 3.427637026744537, 3.0754848317742627, 1.1145029854584312), (491, 380, 2.9611721613184683, 3.424563619266559, 1.156489198433422)], [(24, 27, 2.8066976209087193, 3.4449891696583856, 1.2274172835700796), (106, 7, 3.3444066323344708, 2.986028732316778, 1.120018235638221), (181, 312, 3.5647963538210146, 2.8976582478437454, 1.2302335365026953), (237, 175, 2.902045101487362, 3.2294285979661566, 1.1128113054862598), (301, 328, 3.1462459279269455, 3.0963684429204994, 1.0161083817788175)], [(20, 351, 3.586096311790499, 3.0476135717573363, 1.1766899665441046), (69, 328, 2.7849501053822183, 3.8006114238665196, 1.364696414675949), (266, 294, 3.4915324946305537, 2.9135073800976095, 1.198394937483762), (366, 183, 2.9792715731147723, 3.1674241905261806, 1.0631538994663379), (390, 7, 3.12461261058374, 3.2434027105192733, 1.0380175448096078), (437, 487, 3.444861340858145, 3.0250655488778344, 1.1387724613557668)], [(218, 57, 3.2861077443789393, 3.0483891808498598, 1.0779816976855974), (223, 273, 2.9138176282118526, 3.7614635037691992, 1.2909056034771567), (310, 192, 3.186924079010081, 3.2169178556324765, 1.0094115127561218), (334, 409, 3.0391300358622146, 3.0796800332461265, 1.0133426332224733), (335, 254, 3.560956746642364, 3.1089477977100253, 1.1453896875545087), (349, 395, 3.1867930576100907, 3.3105327913654996, 1.0388289203341639)], [(212, 110, 3.0313304458151533, 3.1962993527197385, 1.0544212878976391), (356, 284, 3.304044022894998, 3.1338139361798816, 1.054320419202241), (387, 508, 2.9636227254717786, 3.11968957298559, 1.0526608350558408), (460, 151, 3.005724338895261, 3.0111434331982165, 1.0018029245838782), (494, 408, 3.326557849008751, 3.1122356998345784, 1.0688643694902555), (519, 303, 3.1714219869932405, 3.191227033373396, 1.0062448474095786)], [(27, 242, 3.3331643809653517, 3.2394840724468446, 1.028918280325962), (58, 455, 3.468568995112218, 3.0175109184766953, 1.1494801804605321), (154, 413, 3.196646151861502, 3.098486227088526, 1.0316799616260393), (177, 365, 3.0629140493906934, 3.9922742340762154, 1.303423527300872), (177, 509, 3.0629140493906934, 3.342922791689961, 1.0914190662173395), (471, 226, 3.0108367001341865, 3.205020457075717, 1.0644949481759924), (527, 301, 2.8548439916389876, 3.5445050311947877, 1.2415757363889648)], [(213, 202, 3.276017620252854, 3.0248307292823786, 1.0830416355331287), (265, 75, 3.1538784563710016, 3.1695144510532582, 1.004957703633338), (397, 473, 3.4687935346559393, 2.936008761342656, 1.1814656619313484), (403, 234, 3.0556383773337377, 3.3977882959836343, 1.1119733019417195), (463, 278, 3.045093794280748, 3.6068117681996603, 1.1844665589526087), (496, 305, 2.984871923918773, 3.3895001371271025, 1.1355596566693227)], [(203, 358, 3.346759033695243, 3.289238619241666, 1.017487455643105), (248, 10, 3.234837412702951, 2.8263874375632896, 1.144513087523414), (345, 245, 3.1965356573462325, 2.985119264420868, 1.0708234325660622), (368, 72, 2.846856195892433, 3.4833562945027334, 1.2235799966042085), (388, 387, 3.1855367826808774, 3.2600060772808077, 1.023377314305333), (408, 439, 3.1184957778119675, 3.16733391068969, 1.01566079814031)], [(200, 274, 3.225277419614823, 3.2474391015351878, 1.006871248279477), (337, 516, 3.2988395029546784, 3.0448360231728593, 1.0834210702476963), (363, 143, 3.0754848317742627, 3.1312985828551896, 1.0181479519925734), (400, 536, 2.97744842648178, 3.0439726284496915, 1.0223426882481783), (475, 491, 3.427637026744537, 2.9611721613184683, 1.1575271007607928)], [(43, 507, 2.838550026015317, 3.3263598361885505, 1.1718517573065317), (88, 243, 3.059134699492522, 3.1138555369376864, 1.0178876848588072), (128, 15, 3.3755193280258093, 3.038507275641341, 1.1109136894573783), (242, 500, 3.5563582499848794, 2.992581283359904, 1.1883915300011494), (268, 133, 3.0091321088587852, 3.677456638811395, 1.2220987666128331), (442, 58, 3.309906628992037, 3.0629626023982492, 1.0806226058393382)], [(168, 369, 3.2001342499988508, 3.3536889089337403, 1.047983817846062), (181, 386, 3.301182238128192, 3.0894464651200884, 1.0685351811072323), (198, 350, 3.2722066794872653, 3.0174072964615104, 1.0844431520148294), (301, 527, 3.0018180010786932, 3.5445050311947877, 1.1807861202514882), (360, 407, 3.073577049139953, 3.10654096819586, 1.0107249366223405), (523, 164, 3.146700520573147, 3.084328565224637, 1.020222214990888)], [(8, 36, 3.639768024261627, 2.9051824962686053, 1.252853488184139), (26, 152, 3.003139989722938, 3.4189587735602154, 1.1384613388853844), (77, 521, 3.2614726317137017, 3.2656070472777854, 1.0012676529994093), (149, 242, 3.035752923401623, 3.1735042237025324, 1.0453763213860487), (230, 161, 3.3559258782101136, 3.0810536976116962, 1.089213693617702), (243, 136, 3.216672771382615, 3.117601552007677, 1.0317780247803439)], [(104, 391, 3.2841396845126662, 3.02615423982134, 1.085251915218491), (272, 343, 3.1583318679618064, 3.178924956809618, 1.0065202422382233), (306, 98, 3.0511846555034943, 3.205905299912042, 1.0507083844071758), (417, 19, 2.9370897025884433, 3.5720858147372283, 1.2161990870041068), (437, 477, 3.0250655488778344, 3.444861340858145, 1.1387724613557668), (470, 101, 3.25709060932503, 2.951011634577805, 1.1037200162685956)], [(50, 430, 3.5109847583918303, 2.9861271819926913, 1.1757653121957428), (473, 397, 3.327849107421055, 2.936008761342656, 1.1334602100775775), (534, 365, 2.7381465882522193, 3.7156762935854437, 1.3570041536589863)], [(131, 204, 3.199312171197943, 3.0359070108694097, 1.053824165148503), (171, 394, 3.195103419418893, 3.524441809197798, 1.103075971743914), (185, 11, 3.284938671259404, 2.9835662994666445, 1.1010107842572945), (416, 199, 2.98156925142103, 3.6331585286290076, 1.2185390384266361), (446, 510, 2.773626144831022, 3.019743956840392, 1.0887350346289602), (503, 386, 2.929382320517427, 3.167594299848571, 1.0813181596894008)], [(107, 154, 3.158648319706941, 3.136010449901598, 1.0072186844294646), (254, 6, 3.137866884388211, 3.259401316558566, 1.0387315449151218), (291, 262, 3.0102533384727734, 3.4474034430476546, 1.1452203703216106), (393, 512, 3.13402937258303, 3.1792830587419942, 1.0144394582114802), (455, 271, 3.401495787847332, 3.061968179555648, 1.1108854136887067), (513, 218, 3.28780308559798, 3.315143376395405, 1.0083156716158541)], [(35, 382, 3.19387010806388, 3.1028590957340003, 1.0293313391043142), (140, 125, 3.1828888208780963, 3.189585314960798, 1.0021039044904039), (252, 87, 3.1625652639491992, 3.2170249092898984, 1.0172200858466058), (263, 119, 2.9472928542921117, 3.433613003334017, 1.1650057096747892), (380, 448, 3.424563619266559, 2.865991172318017, 1.1948967785887379), (475, 483, 2.9611721613184683, 3.427637026744537, 1.1575271007607928)], [(87, 436, 3.1867179824160847, 3.1995743239178007, 1.0040343518229902), (114, 232, 2.8307377082945337, 3.307199283896692, 1.1683171048331489), (276, 443, 3.2040255535362903, 2.8257946704320465, 1.1338493865325376), (525, 298, 3.038244680856133, 3.1922332835661495, 1.0506834106154428)], [(67, 357, 3.007931449815717, 3.235161893017223, 1.075543757227389), (271, 115, 3.1274406644300687, 3.094290643406826, 1.0107132861271055), (339, 235, 2.875861860153412, 3.813324297458974, 1.3259761709331732), (405, 269, 3.3414213646605444, 2.888966924829519, 1.1566146140138747), (452, 393, 3.1861949433414414, 2.95614769419274, 1.0778199443825565)], [(36, 320, 3.077568949388999, 3.0455042176619225, 1.0105285461570277), (388, 77, 3.464467831972416, 2.985766560918502, 1.1603277621632457), (408, 121, 3.1122356998345784, 3.398897714183604, 1.092108066996424), (458, 382, 3.245500587540031, 3.042233270060502, 1.0668151648592965), (472, 429, 2.851738926758309, 3.3421805442616788, 1.1719798446139231), (479, 460, 3.326557849008751, 3.005724338895261, 1.1067408298098989)], [(2, 459, 3.1075904045375635, 3.116380488876878, 1.002828585236484), (72, 368, 3.0651928149213448, 3.4833562945027334, 1.136423221908185), (99, 130, 3.435410994004304, 3.0207640003589113, 1.1372656035347768), (289, 530, 3.024746876869135, 3.4331798474336974, 1.135030462776219), (376, 342, 3.3767202501444666, 3.011712636236097, 1.1211960296333385), (419, 440, 3.293156185452739, 3.0655056573162645, 1.074261982715039)], [(103, 267, 3.1375064422967984, 2.9780404180252473, 1.0535473001999394), (194, 33, 3.3400228459626757, 3.0216199233128562, 1.1053749084036777), (305, 121, 3.3895001371271025, 3.1800179260025065, 1.0658745378168133), (336, 429, 3.042748022773085, 3.1221794369380085, 1.0261051567761865), (481, 213, 2.984871923918773, 3.276017620252854, 1.0975404318024613), (505, 292, 3.13278416266613, 3.148423981358476, 1.0049923064853072)], [(147, 153, 3.1796514647550387, 3.1115023796781927, 1.0219023085188494), (261, 46, 3.4655920409523864, 3.200397618115541, 1.0828629609445208), (372, 428, 3.1804936759101197, 3.2363988564049233, 1.0175775166346797), (402, 45, 3.3027656053411603, 3.108107611415448, 1.062629103706311), (422, 324, 2.923890215085142, 3.468919414288381, 1.1864054937464088), (467, 469, 3.4343306579968096, 2.942517665628377, 1.1671402004186118)], [(241, 309, 3.3962704448202237, 3.0660693898905955, 1.1076952322143663), (259, 440, 3.504383987601379, 2.90106176636602, 1.2079660034233273), (379, 539, 2.9114306965063483, 3.769566238402216, 1.2947470269258379), (384, 146, 3.003036263749825, 3.0810256359088237, 1.0259701732877562), (411, 368, 2.855314492137801, 3.1225758557580945, 1.0936013753848153), (439, 244, 3.0057396306022124, 3.3972336288700835, 1.130248806078201)], [(7, 390, 2.9654167039797557, 3.2434027105192733, 1.0937426453983499), (97, 292, 2.9363395436192707, 3.163031138245725, 1.0772021052943486), (423, 121, 3.261985628310783, 2.8492184720480767, 1.1448703075289277), (528, 517, 3.2768631840781297, 3.347703915308649, 1.021618458645062), (529, 99, 2.8548652815472364, 3.0861366116095033, 1.0810095423966646)], [(24, 527, 3.3810140938077438, 2.9844632888820466, 1.1328717315448171), (203, 423, 3.0799489299440057, 3.0729890156694966, 1.0022648679311965), (242, 484, 2.992581283359904, 3.5563582499848794, 1.1883915300011494), (248, 77, 3.1397777724992073, 3.170240749098018, 1.0097022715638129), (506, 201, 3.07818936967174, 3.081895517744509, 1.0012040026222182), (517, 386, 3.5945960477628978, 3.05617795148539, 1.1761736734000785)], [(69, 54, 3.2904890729532625, 3.0628085891785957, 1.0743371572677116), (169, 13, 3.0717759742918753, 3.1659410096102434, 1.0306549162785466), (325, 78, 3.278577997272235, 3.0988343895170893, 1.0580036185099766), (366, 449, 3.5132692009249924, 3.049206440639224, 1.152191322339095), (375, 358, 3.025685445242558, 3.146759004845712, 1.0400152500298814), (522, 456, 3.1576436462917497, 2.997921556710785, 1.0532776080226083)], [(85, 133, 3.7045030454841044, 2.865310018588406, 1.2928803590018252), (156, 507, 3.4611499249062287, 2.7967048951454974, 1.2375813876230097), (258, 367, 3.315875678772114, 3.3088360599557882, 1.0021275211853258), (288, 190, 3.3624883812011683, 3.0720014677038416, 1.094559496976559), (330, 174, 2.89350683377068, 3.410976762988592, 1.1788383297313902), (474, 536, 2.8864383357192165, 3.391980989157446, 1.1751441030914187)], [(25, 10, 3.4057142421753928, 3.218576284688825, 1.0581430859280256), (386, 181, 3.167594299848571, 3.0894464651200884, 1.0252950927005122), (424, 118, 3.2716228988294294, 3.0559218970508684, 1.0705845924880228), (441, 72, 2.9365714675410746, 3.18805468486839, 1.0856383779884282), (459, 73, 2.8535159371536993, 3.4081667665448494, 1.1943745335953506), (489, 171, 2.929382320517427, 3.195103419418893, 1.090708917385195)], [(86, 172, 3.8935704552319867, 2.8904003288323894, 1.3470696139883294), (157, 418, 3.0565597162645055, 3.1984504072422975, 1.0464216976435192), (221, 50, 2.68197383390531, 3.8718860490644866, 1.4436703297088125), (391, 249, 3.1195806883122676, 3.1687908930455437, 1.0157746215437369), (433, 444, 2.8820887701096494, 3.2145020843237644, 1.1153376390281928), (467, 272, 3.4465568561604245, 2.9433991576201515, 1.1709444324727927), (511, 365, 3.651034742351997, 3.6720185739065716, 1.0057473656197138)], [(241, 423, 3.095169577403205, 3.1523943164629853, 1.0184884018884002), (292, 373, 3.148423981358476, 3.047812101965144, 1.033011181801024), (377, 30, 3.2495160632417037, 3.016247817801816, 1.0773372280829), (384, 290, 3.0123931085167337, 3.2498029387353338, 1.0788110388207262), (403, 175, 3.3341533033763313, 3.1072716813554093, 1.0730163452981218), (496, 194, 3.13278416266613, 3.3400228459626757, 1.0661515995152941)], [(10, 199, 3.2516528233106405, 2.9278889446082474, 1.1105792893199071), (94, 268, 3.6797890631069325, 2.9245739560747106, 1.2582308118635688), (201, 463, 3.081895517744509, 3.0455962777832166, 1.0119185987407737), (202, 68, 3.3723670953921556, 3.1449007720146405, 1.0723286169794792), (500, 203, 3.07818936967174, 3.0799489299440057, 1.0005716218402942)], [(43, 484, 3.3263598361885505, 2.838550026015317, 1.1718517573065317), (156, 502, 2.7967048951454974, 3.4611499249062287, 1.2375813876230097), (277, 227, 3.377987884291869, 3.0687639058669465, 1.1007649946070273), (282, 79, 3.051907528425515, 3.1394930703056216, 1.0286986224400096), (435, 525, 3.1469051054161548, 3.0832721091795516, 1.0206381383099967), (443, 332, 3.2015314287797194, 3.288181856526635, 1.0270653059869985)], [(77, 248, 3.148715476938977, 3.170240749098018, 1.0068362074365533), (113, 169, 3.1317016777688336, 3.2704644466536408, 1.044309063621816), (162, 355, 3.196567400501707, 3.340544281800449, 1.0450410904134682), (230, 211, 2.976468446276127, 3.136460660056166, 1.053752363469603), (387, 479, 3.11968957298559, 2.9636227254717786, 1.0526608350558408), (533, 351, 3.174059134900897, 3.087519286360008, 1.0280289256566602)], [(100, 157, 3.742351340702459, 3.867441398101282, 1.0334255247598807), (113, 81, 3.4181004362623217, 3.007910635776715, 1.136370341461187), (162, 199, 3.0568194301595466, 3.1436349941357413, 1.0284006189962172), (177, 480, 3.342922791689961, 3.0629140493906934, 1.0914190662173395), (325, 394, 3.484062457121131, 3.1516737559072543, 1.1054641840992816), (365, 534, 2.8974169572899404, 3.7156762935854437, 1.282409935593409), (535, 145, 3.0621738495350717, 3.067297402623201, 1.0016731751167254)], [(21, 157, 2.8353344757561993, 3.508200462951603, 1.237314501322087), (51, 167, 3.0430856446771584, 3.298687795357158, 1.0839943992792607), (118, 316, 3.346309910822877, 3.172951957017077, 1.0546361735551695), (172, 159, 3.5032056228928434, 3.3423422558139357, 1.0481289331752572), (224, 205, 3.284753526381704, 2.9343711035554043, 1.1194063090390176), (446, 489, 3.019743956840392, 2.773626144831022, 1.0887350346289602)], [(100, 325, 2.9811117561715075, 2.9908183859185455, 1.00325604356393), (157, 173, 3.0762338792636443, 3.2344023030080105, 1.0514162544046315), (428, 51, 3.630256445025419, 2.935853915562805, 1.236524891712637), (456, 68, 3.25867886704957, 2.999811588522652, 1.086294512467833)], [(43, 341, 3.2552456555829954, 3.1519412680291485, 1.0327748453315697), (85, 293, 2.958975925017555, 3.28975875278027, 1.1117896313268425), (156, 312, 3.0546269397946677, 3.1734830337780044, 1.0389101832485397), (268, 94, 3.2478332285572344, 2.9245739560747106, 1.110532090259189), (393, 490, 3.1792830587419942, 3.13402937258303, 1.0144394582114802)], [(37, 250, 3.190457899044174, 3.164685867059168, 1.0081436303846976), (191, 217, 2.9215310517796964, 3.454395092767328, 1.1823920511346369), (218, 314, 3.315143376395405, 3.089808114125526, 1.0729285618869744), (311, 115, 3.103837140880805, 3.2016711374251052, 1.0315203382470437), (335, 122, 3.5890192385511375, 2.9739545879481826, 1.206817095693215), (490, 393, 3.28780308559798, 3.13402937258303, 1.049065817429851)], [(109, 400, 3.104972040254367, 3.0038338182328124, 1.0336697128208827), (234, 318, 2.922832941983249, 3.134770912191493, 1.0725111473748605), (259, 76, 3.4065781596211426, 3.2747345415273905, 1.0402608566959624), (516, 454, 3.328337790845077, 3.0260897014876855, 1.0998807435248201)], [(101, 137, 3.1357760424842356, 3.4257515458891272, 1.092473282363356), (102, 313, 3.194631336885613, 2.9497667229417783, 1.0830115181785063), (294, 453, 3.4323016058156246, 2.9972587553559586, 1.1451469112175467), (434, 222, 2.980913406047323, 3.173408548510842, 1.0645758920983774), (450, 437, 3.202006176155486, 2.9994657912547114, 1.0675254858686185)], [(153, 382, 3.360420558372048, 2.987514325396019, 1.124821571500447), (290, 429, 3.2284297622478224, 3.071636816279431, 1.0510454052176355), (333, 163, 2.932606238867815, 3.401176617330192, 1.159779506792319), (337, 483, 3.0448360231728593, 3.2988395029546784, 1.0834210702476963), (454, 372, 3.0260897014876855, 3.3720772235472243, 1.114334853289195), (514, 234, 3.328337790845077, 2.922832941983249, 1.1387369230164341)], [(386, 206, 3.05617795148539, 3.2875798487998757, 1.075716107173019), (476, 301, 2.9842909547515726, 3.1462459279269455, 1.0542691633057792), (500, 242, 3.5945960477628978, 2.992581283359904, 1.2011690602191714), (526, 347, 2.8482080889984753, 3.014494102273366, 1.0583826771355607), (528, 499, 3.347703915308649, 3.2768631840781297, 1.021618458645062)], [(9, 470, 3.160926302000579, 3.234958914758185, 1.0234211764794232), (14, 158, 2.9764558343472927, 3.4717993803038536, 1.1664205933246057), (19, 377, 3.3604554697014994, 3.0503922175727975, 1.1016470112736583), (373, 440, 3.247165256651446, 3.1885275761174894, 1.0183902064931667), (389, 3, 2.9808921548419507, 3.1549015481471754, 1.0583749375241824), (451, 281, 3.1322817464501607, 3.1001421615061404, 1.0103671326247845)], [(36, 56, 2.87149701265598, 3.4739260348378753, 1.2097961514592281), (135, 59, 3.316883501369983, 2.9340395938380768, 1.1304835518702392), (165, 230, 3.3518727086120816, 2.8832139217596824, 1.1625473515216544), (303, 256, 3.191227033373396, 3.181676493879205, 1.0030017317953488), (404, 108, 2.9272621178104443, 3.687105499657023, 1.2595747668865855), (479, 212, 3.1714219869932405, 3.0313304458151533, 1.0462145396822335)], [(64, 219, 3.0854885892292208, 3.283238194919659, 1.064090208072958), (122, 304, 3.385914804066517, 2.9194488753109717, 1.1597787625946554), (173, 157, 2.9245051705190597, 3.2344023030080105, 1.1059656640764113), (215, 37, 3.496684518530334, 2.876625767784697, 1.2155507183762548), (249, 353, 2.9421384818614675, 3.4159211306402733, 1.1610334291535616)], [(77, 486, 3.2656070472777854, 3.2614726317137017, 1.0012676529994093), (116, 458, 3.3030504226293638, 2.936113536996145, 1.124973670469372), (185, 251, 3.107583792498345, 2.906445751749418, 1.069204126940219), (416, 323, 3.018016802491453, 3.4144909846861813, 1.1313691102936962), (533, 4, 3.435732804060332, 2.8972093637887455, 1.185876604915893)], [(100, 41, 3.2229277128491907, 2.9973258262687343, 1.075267721848345), (177, 142, 3.249469307542079, 2.9885618757958388, 1.0873020009588263), (328, 360, 3.3462948556511924, 3.0098183851171116, 1.1117929481054016), (456, 150, 2.997921556710785, 3.163713408874697, 1.0553022649284438), (501, 366, 3.1576436462917497, 3.5132692009249924, 1.112623713904791), (527, 24, 3.6159434384678164, 2.9844632888820466, 1.2115891832002788)], [(54, 32, 3.0235403483911765, 3.3469163890282965, 1.106952778324651), (79, 338, 3.065079966624696, 2.8771110934075033, 1.0653325044166342), (89, 277, 3.077438120403443, 3.13762354975632, 1.019556990911969), (164, 124, 3.084328565224637, 3.41114167505157, 1.1059592397229348), (412, 375, 3.2398145652119354, 3.197342863426018, 1.013283436778628), (485, 168, 3.146700520573147, 3.2001342499988508, 1.0169808753887934)], [(66, 309, 3.2853184474249453, 3.1090535846118237, 1.0566940575374897), (120, 67, 2.938311667693787, 3.1466162555198802, 1.0708926116029027), (182, 151, 3.164213033402539, 3.3427462521398987, 1.0564226292138679), (235, 427, 3.019026654169993, 3.144064388841977, 1.0414165719601307), (236, 244, 3.15151015189195, 2.9833897587558273, 1.0563521385842105), (280, 209, 3.560537386519781, 3.0198675452235997, 1.1790376012190789)], [(61, 15, 3.305610723129084, 2.9180032632757515, 1.1328331139075576), (158, 126, 3.399659710101203, 3.0247302443652977, 1.1239546787467587), (298, 434, 3.1922332835661495, 2.8679327352323347, 1.113078157081513), (313, 451, 3.0476161020408923, 3.112557037246623, 1.0213087649596817), (435, 507, 3.0832721091795516, 3.1469051054161548, 1.0206381383099967), (492, 220, 3.038244680856133, 3.82950071355407, 1.2604319651026172)], [(25, 416, 3.3131349517058823, 3.21544374146933, 1.03038187512866), (237, 462, 3.273137615172774, 3.29331922587049, 1.0061658301820748), (347, 146, 3.014494102273366, 3.4965771761984925, 1.1599217173991372), (506, 94, 2.785726285015436, 3.6797890631069325, 1.320944230199753)], [(24, 500, 2.9844632888820466, 3.3810140938077438, 1.1328717315448171), (68, 264, 3.0131714734575383, 3.465128170219541, 1.149993686301362), (301, 485, 3.5445050311947877, 3.0018180010786932, 1.1807861202514882), (375, 381, 3.268209964321089, 2.8698072605774385, 1.1388255961355005), (480, 58, 2.8548439916389876, 3.468568995112218, 1.2149767221153427), (522, 100, 3.6159434384678164, 3.2229277128491907, 1.1219436985979387)], [(106, 412, 3.154855562587185, 3.148663117975456, 1.0019666901093283), (203, 538, 2.8657481118419277, 3.4371961929223307, 1.1994062488322155), (338, 0, 3.5687633935730907, 3.102057576273999, 1.150450404553635), (368, 116, 3.473946735876745, 2.9535099091215455, 1.176209609166333), (499, 97, 3.2768631840781297, 2.9363395436192707, 1.1159687547711654)], [(72, 11, 3.4281753326837094, 3.0741102004064413, 1.115176460567502), (99, 276, 3.0861366116095033, 2.882490557592832, 1.070649339502689), (281, 164, 3.00833323643055, 3.194291038364821, 1.0618142297809114), (338, 386, 2.98246172462166, 3.5691269250207465, 1.1967050224168452), (436, 373, 3.1392209953438908, 2.886802082855901, 1.0874389394364967), (499, 423, 2.8548652815472364, 3.261985628310783, 1.1426057997885286)], [(38, 431, 3.008249822504741, 3.4230038077954377, 1.137872188070259), (98, 159, 3.1779215889423913, 3.21574604530358, 1.011902262312827), (289, 495, 3.4331798474336974, 3.024746876869135, 1.135030462776219), (307, 296, 2.83193656894518, 3.2052241607367087, 1.131813542677818), (327, 437, 2.9725959444296794, 3.346776810378991, 1.125876800259546), (426, 425, 3.2911670962045645, 2.885298605352015, 1.1406677596903467)], [(12, 83, 2.901443117861705, 3.974590146027631, 1.3698666437951093), (178, 232, 3.185339147081731, 3.3193961011549935, 1.042085614084792), (194, 280, 2.88767197657496, 3.3808066626868283, 1.1707724042454333), (244, 56, 3.708078687206466, 3.0145031775174886, 1.2300795417506085), (336, 384, 3.1407232747039346, 3.3191986960219175, 1.0568262166729119), (406, 108, 3.160786186448746, 3.1706741115832973, 1.0031283119297798)], [(40, 148, 3.2513107618704047, 2.964149625378467, 1.0968780840323715), (111, 537, 2.913754861413271, 3.1854773249538106, 1.0932550871519593), (170, 461, 2.9135546556875407, 3.0112431873090935, 1.0335289854373781), (399, 385, 3.0041987741071012, 2.91040429550998, 1.032227302145555), (468, 311, 3.148261551982456, 3.9007400491518682, 1.2390139715982549)], [(78, 41, 3.097957167333639, 3.007363979491309, 1.0301237856342396), (351, 307, 3.087519286360008, 3.3987988580447452, 1.1008186646994897), (431, 212, 2.964039885966948, 3.3126500761638735, 1.117613191322896), (508, 230, 3.174059134900897, 2.976468446276127, 1.0663842712231593), (521, 39, 3.435732804060332, 3.0251419395034724, 1.1357261486461858)], [(44, 167, 3.1740998023237177, 3.2660908617788658, 1.0289817791450044), (155, 344, 2.8472809837667254, 3.3182828120155867, 1.165421618355967), (365, 509, 3.7156762935854437, 2.8974169572899404, 1.282409935593409), (511, 157, 3.1837615376182113, 3.0762338792636443, 1.0349543183564138)], [(57, 155, 3.345474459818699, 3.0088106883822476, 1.1118926400841342), (142, 58, 3.089094945862324, 3.276800903645684, 1.0607640623137151), (145, 349, 3.067297402623201, 3.1371255653115204, 1.0227653707881739), (161, 354, 3.0751574581586096, 3.023606603281613, 1.0170494583591154), (239, 26, 3.425529336320636, 2.9063389361475354, 1.1786406924931156), (509, 325, 3.0621738495350717, 3.484062457121131, 1.1377742180281876)], [(5, 234, 2.9237407698223867, 3.1747895988805253, 1.0858656251776349), (232, 178, 3.230791796494345, 3.3193961011549935, 1.027424950365663), (321, 87, 2.821342850488343, 3.291857348924555, 1.1667696991717158), (400, 483, 3.0439726284496915, 2.97744842648178, 1.0223426882481783), (401, 438, 3.101343144545744, 3.1789008328636488, 1.0250077739557146), (474, 502, 3.391980989157446, 2.8864383357192165, 1.1751441030914187)], [(111, 532, 3.1854773249538106, 2.913754861413271, 1.0932550871519593), (189, 414, 2.999315348624523, 3.5818481840801604, 1.1942219365905573), (256, 140, 3.219095949691826, 2.9498032339900373, 1.0912917555309378), (374, 165, 3.2565045223019746, 2.9362923747194083, 1.1090532231529449), (392, 127, 3.0956718264202094, 3.6171605270102027, 1.168457359122926), (448, 251, 2.943513623693817, 3.3976232712963927, 1.1542746885719228)], [(121, 305, 3.1944587443144403, 3.1800179260025065, 1.0045411122352026), (128, 341, 2.878920604129509, 3.3709084045383895, 1.1708931464463368), (203, 528, 3.4371961929223307, 2.8657481118419277, 1.1994062488322155), (242, 94, 2.905957443141829, 3.4075559351677263, 1.172610405293336), (345, 8, 3.5269870427718897, 3.1725789213690248, 1.11170978884583), (357, 471, 2.9943475132211, 3.2090211368760597, 1.0716929557130894)], [(147, 159, 3.584041604758573, 2.9231171875187254, 1.2261026071968295), (212, 431, 2.833145830699028, 3.3126500761638735, 1.1692479929091883), (356, 404, 3.016537387801347, 3.147884651538419, 1.0435423954194072), (379, 498, 3.769566238402216, 2.9114306965063483, 1.2947470269258379), (430, 167, 3.4811857299456883, 2.9203111406261097, 1.1920598738664976)]]
|
|
612
|
+
"""
|
|
613
|
+
...
|
|
614
|
+
|
|
615
|
+
|
|
616
|
+
def altbc(atoms: Atoms, r_min: float, r_max: float, n_r: int,
|
|
617
|
+
cutoff_angle: float, filter: fastatomstruct.Filter = None) -> NDArray:
|
|
618
|
+
"""Angular-limited three-body correlation.
|
|
619
|
+
|
|
620
|
+
The Angular-limited three-body correlation (ALTBC) is a higher-order
|
|
621
|
+
correlation function that includes three atoms. It is defined as
|
|
622
|
+
|
|
623
|
+
.. math::
|
|
624
|
+
|
|
625
|
+
g^{(3)}(r, r') = \frac{V}{\rho (N - 1)(N - 2)} \sum_{i_1} \sum_{i_2} \sum_{i_3} \langle\delta(r - r_{i_1 i_2}) \delta(r' - r_{i_2 i_3}) \Theta(\beta - \delta)\rangle,
|
|
626
|
+
|
|
627
|
+
with :math:`i_1`, :math:`i_2` and :math:`i_3` distinct indices of atoms, :math:`V` the unit cell
|
|
628
|
+
volume, :math:`N` the number of particles, :math:`\rho = V/N`
|
|
629
|
+
the atomic density, and
|
|
630
|
+
|
|
631
|
+
.. math::
|
|
632
|
+
|
|
633
|
+
\cos\beta = \frac{\vec{r}_{i_1 i_2} \cdot \vec{r}_{i_2 i_3}}{r_{i_1 i_2} r_{i_2 i_3}}
|
|
634
|
+
|
|
635
|
+
the alignment angle and :math:`\delta` an angular threshold (typically
|
|
636
|
+
25° in phase-change materials).
|
|
637
|
+
|
|
638
|
+
Arguments:
|
|
639
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
640
|
+
cell (NDArray): unit cell array, shape is 3x3
|
|
641
|
+
r_min (float): minimum radius / atomic distance
|
|
642
|
+
r_max (float): maximum radius / atomic distance
|
|
643
|
+
n_r (int): number of bins for each :math:`r`
|
|
644
|
+
cutoff_angle (float): maximum bond angle in degrees
|
|
645
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
646
|
+
|
|
647
|
+
Returns:
|
|
648
|
+
2D array of shape `(n_r, n_r)` containing the ALTBC
|
|
649
|
+
|
|
650
|
+
Examples
|
|
651
|
+
--------
|
|
652
|
+
|
|
653
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
654
|
+
|
|
655
|
+
>>> import fastatomstruct as fs
|
|
656
|
+
>>> from ase import io
|
|
657
|
+
>>> atoms = io.read("Sb540.traj")
|
|
658
|
+
>>> fs.altbc(atoms, 2.5, 4.5, 100, 25)
|
|
659
|
+
array([[ 0., 0., 0., ..., 0., 0., 0.],
|
|
660
|
+
[ 0., 0., 0., ..., 0., 0., 0.],
|
|
661
|
+
[ 0., 0., 0., ..., 0., 0., 0.],
|
|
662
|
+
...,
|
|
663
|
+
[ 0., 0., 0., ..., 12., 12., 5.],
|
|
664
|
+
[ 0., 0., 0., ..., 12., 4., 10.],
|
|
665
|
+
[ 0., 0., 0., ..., 5., 10., 6.]])
|
|
666
|
+
"""
|
|
667
|
+
...
|
|
668
|
+
|
|
669
|
+
|
|
670
|
+
def tbc(atoms: Atoms, r_min: float, r_max: float, n_r: int, cutoff_angle: float,
|
|
671
|
+
filter: Optional[fastatomstruct.Filter] = None) -> NDArray:
|
|
672
|
+
"""Three-body correlation.
|
|
673
|
+
|
|
674
|
+
The three-body correlation (TBC) is a higher-order correlation function
|
|
675
|
+
that includes three atoms. It is defined as
|
|
676
|
+
|
|
677
|
+
.. math::
|
|
678
|
+
|
|
679
|
+
g^{(3)}(r, r') = \frac{V}{\rho (N - 1)(N - 2)} \sum_{i_1} \sum_{i_2} \sum_{i_3} \langle\delta(r - r_{i_1 i_2}) \delta(r' - r_{i_2 i_3})\rangle,
|
|
680
|
+
|
|
681
|
+
with :math:`i_1`, :math:`i_2` and :math:`i_3` distinct indices of atoms, :math:`V` the unit cell
|
|
682
|
+
volume, :math:`N` the number of particles, and :math:`\rho = V/N` the atomic density.
|
|
683
|
+
|
|
684
|
+
Arguments:
|
|
685
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
686
|
+
r_min (float): minimum radius / atomic distance
|
|
687
|
+
r_max (float): maximum radius / atomic distance
|
|
688
|
+
n_r (int): number of bins for each :math:`r`
|
|
689
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
690
|
+
|
|
691
|
+
Returns:
|
|
692
|
+
2D array of shape (n_r, n_r) containing the TBC
|
|
693
|
+
|
|
694
|
+
Examples
|
|
695
|
+
--------
|
|
696
|
+
|
|
697
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
698
|
+
|
|
699
|
+
>>> import fastatomstruct as fs
|
|
700
|
+
>>> from ase import io
|
|
701
|
+
>>> atoms = io.read("Sb540.traj")
|
|
702
|
+
>>> fs.tbc(atoms, 2.5, 4.5, 100)
|
|
703
|
+
array([[ 0., 0., 0., ..., 0., 0., 0.],
|
|
704
|
+
[ 0., 0., 0., ..., 0., 0., 0.],
|
|
705
|
+
[ 0., 0., 0., ..., 0., 0., 0.],
|
|
706
|
+
...,
|
|
707
|
+
[ 0., 0., 0., ..., 100., 91., 83.],
|
|
708
|
+
[ 0., 0., 0., ..., 91., 74., 80.],
|
|
709
|
+
[ 0., 0., 0., ..., 83., 80., 96.]])
|
|
710
|
+
"""
|
|
711
|
+
...
|
|
712
|
+
|
|
713
|
+
|
|
714
|
+
def distances(atoms: Atoms, i: int, filter: Optional[fastatomstruct.Filter] = None) -> NDArray:
|
|
715
|
+
"""Distances of one atom to all other atoms.
|
|
716
|
+
|
|
717
|
+
Arguments:
|
|
718
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
719
|
+
i (int): Index of atom to calculate distances for
|
|
720
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
721
|
+
|
|
722
|
+
Returns:
|
|
723
|
+
Distances (array of floats) for this atom
|
|
724
|
+
|
|
725
|
+
Examples
|
|
726
|
+
--------
|
|
727
|
+
|
|
728
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
729
|
+
|
|
730
|
+
>>> import fastatomstruct as fs
|
|
731
|
+
>>> from ase import io
|
|
732
|
+
>>> atoms = io.read("Sb540.traj")
|
|
733
|
+
>>> fs.distances(atoms, 0)
|
|
734
|
+
array([ 0. , 13.45305427, 2.91828225, 11.63855946, 14.23152337,
|
|
735
|
+
12.98086183, 10.09229625, 7.97052848, 12.48575892, 11.68376213,
|
|
736
|
+
10.90332209, 7.74104435, 16.15190625, 16.24227574, 9.87187816,
|
|
737
|
+
11.66458514, 14.68663104, 11.71660523, 16.71265741, 11.72043018,
|
|
738
|
+
12.65826558, 13.49519165, 9.41687702, 19.99444408, 10.37973443,
|
|
739
|
+
7.99728229, 13.61816274, 13.50774181, 15.42548069, 12.78331659,
|
|
740
|
+
14.69245551, 14.52264404, 12.80632247, 14.6919333 , 12.7525009 ,
|
|
741
|
+
8.81892663, 13.08456575, 15.78227991, 10.55052004, 7.38462546,
|
|
742
|
+
13.89727903, 12.97814224, 9.07994266, 7.3494056 , 16.6598059 ,
|
|
743
|
+
15.77506224, 18.8148011 , 14.94695883, 19.54346046, 13.09210181,
|
|
744
|
+
18.52370806, 13.21267724, 17.53237126, 13.69773798, 9.92318978,
|
|
745
|
+
15.24722512, 12.68169007, 17.47706352, 13.38001098, 17.3142893 ,
|
|
746
|
+
16.07975324, 9.50590849, 12.25494589, 14.84074353, 11.61823972,
|
|
747
|
+
13.01514489, 14.26862774, 11.93514476, 12.9590854 , 11.37955313,
|
|
748
|
+
10.93736885, 16.57102791, 5.76662189, 4.87728443, 6.60290485,
|
|
749
|
+
14.95309546, 8.13378436, 11.65879917, 12.06845717, 4.60399339,
|
|
750
|
+
16.01095523, 16.53982762, 10.06996221, 14.30801786, 17.24454067,
|
|
751
|
+
10.02425226, 15.83478322, 6.43750202, 9.41839457, 6.45394489,
|
|
752
|
+
12.61765436, 10.34916904, 18.71061698, 12.20284299, 13.0766057 ,
|
|
753
|
+
15.68238841, 15.78768235, 8.78146163, 11.14209921, 3.47372848,
|
|
754
|
+
15.44425666, 13.18397683, 8.86465355, 15.85267195, 17.08010766,
|
|
755
|
+
18.56117449, 7.00701062, 14.20679296, 16.71142292, 12.98804769,
|
|
756
|
+
12.0010191 , 11.06064295, 10.75372142, 16.04795803, 9.83823783,
|
|
757
|
+
14.45299861, 9.77181582, 14.27364656, 10.04037206, 14.36592624,
|
|
758
|
+
13.24780974, 12.56878422, 12.9189609 , 17.70972824, 9.74302193,
|
|
759
|
+
12.43186957, 13.17125831, 5.9644202 , 10.61360209, 16.05632274,
|
|
760
|
+
4.38268784, 6.64795492, 15.3985803 , 12.27211505, 12.23781216,
|
|
761
|
+
15.19248623, 6.97400373, 15.83467251, 10.95976576, 13.82044358,
|
|
762
|
+
10.46063164, 14.13769976, 16.12717333, 6.69155193, 14.47967226,
|
|
763
|
+
14.12287337, 14.14127043, 13.73241727, 15.14378575, 12.56603332,
|
|
764
|
+
16.41958784, 18.96442397, 15.20458993, 11.84955346, 15.45205798,
|
|
765
|
+
19.22840534, 5.57137442, 15.48363621, 10.50039429, 13.37120077,
|
|
766
|
+
12.9950963 , 15.33644961, 14.00486711, 9.55342674, 7.76769412,
|
|
767
|
+
13.4878439 , 11.54713584, 15.3088453 , 9.68247744, 15.84401275,
|
|
768
|
+
12.37422573, 10.22809455, 14.26282979, 14.42670532, 8.05950516,
|
|
769
|
+
11.99431538, 11.65799056, 16.19542765, 13.61548693, 14.15165814,
|
|
770
|
+
17.28402126, 5.34348235, 16.54436515, 15.77318309, 9.63491383,
|
|
771
|
+
6.82168988, 13.0779276 , 13.90074491, 11.41176921, 8.76332105,
|
|
772
|
+
12.02279105, 16.55599001, 11.01432106, 14.10949256, 16.18903138,
|
|
773
|
+
13.83397709, 10.89930383, 14.03046053, 7.23702111, 12.34905376,
|
|
774
|
+
13.55005226, 13.19399613, 11.89725048, 9.46956465, 7.3034463 ,
|
|
775
|
+
11.32760465, 2.86753452, 15.52769025, 11.61745584, 18.35310755,
|
|
776
|
+
17.04176701, 11.2150203 , 13.2986454 , 13.82744104, 8.69116788,
|
|
777
|
+
15.2131513 , 20.58778579, 16.85423355, 15.31951296, 9.23490219,
|
|
778
|
+
9.34737321, 18.3200486 , 13.2038814 , 13.42948245, 11.14406463,
|
|
779
|
+
11.72218223, 14.30153769, 10.4520376 , 15.9071007 , 14.88436765,
|
|
780
|
+
13.93347168, 11.0300734 , 12.97898727, 15.52743615, 13.72518434,
|
|
781
|
+
13.32411846, 13.91096185, 9.46029323, 10.58043842, 14.67039595,
|
|
782
|
+
11.33730806, 11.30891943, 12.87706341, 9.70928192, 13.28087182,
|
|
783
|
+
9.25479839, 15.54783952, 8.61200567, 10.4780869 , 15.80128269,
|
|
784
|
+
17.28461507, 6.18083802, 7.43525484, 14.40223132, 10.80872322,
|
|
785
|
+
15.47823572, 8.95531222, 13.65618381, 6.84293173, 10.79021807,
|
|
786
|
+
13.22834315, 17.33153406, 15.39201146, 11.34007454, 15.16520504,
|
|
787
|
+
17.00098423, 10.4366974 , 16.73077809, 10.55015716, 7.22746613,
|
|
788
|
+
9.78536784, 11.8135512 , 16.22434369, 13.19639842, 15.19389069,
|
|
789
|
+
18.1126051 , 4.17592756, 7.63884459, 16.49653812, 13.48689902,
|
|
790
|
+
17.26272358, 5.5249288 , 3.44397171, 17.60236508, 18.57300126,
|
|
791
|
+
13.57520375, 16.55796129, 13.73036349, 9.82404664, 6.89819332,
|
|
792
|
+
15.37062647, 13.65269438, 11.12700634, 11.84702993, 9.9336438 ,
|
|
793
|
+
12.81712995, 9.80413585, 9.05876343, 9.59115285, 16.63543699,
|
|
794
|
+
9.8931421 , 9.47635956, 10.78592697, 11.24607161, 12.71695417,
|
|
795
|
+
13.79395519, 13.99265941, 9.29879488, 13.68382268, 11.56198213,
|
|
796
|
+
12.22030669, 14.33775085, 4.59554466, 7.22303138, 13.79472222,
|
|
797
|
+
8.13255815, 9.89700931, 7.06525584, 14.36192485, 9.28105027,
|
|
798
|
+
10.26096821, 9.71585209, 18.3987585 , 11.17951846, 13.35381558,
|
|
799
|
+
14.49531169, 10.72890458, 12.91393083, 11.82131475, 12.73821845,
|
|
800
|
+
6.91370051, 13.42814544, 4.04684835, 12.04687045, 16.14922856,
|
|
801
|
+
13.69096176, 15.78890843, 13.31954903, 3.10205758, 10.5318126 ,
|
|
802
|
+
11.23001924, 7.39202829, 7.54312267, 18.10321074, 17.39011203,
|
|
803
|
+
12.21433378, 13.08225024, 11.01887903, 14.76007905, 12.36980948,
|
|
804
|
+
7.87089367, 9.86418651, 11.24515449, 16.17805612, 15.27997295,
|
|
805
|
+
15.02977129, 16.71976536, 12.94306732, 9.99203251, 20.34685389,
|
|
806
|
+
10.48159708, 13.25482269, 18.44021135, 9.59041856, 5.98710024,
|
|
807
|
+
17.10962816, 13.69695405, 7.34353324, 8.22716915, 12.27095652,
|
|
808
|
+
12.01303339, 4.13135534, 16.63964055, 9.45073445, 10.86616122,
|
|
809
|
+
11.41424525, 5.36565446, 13.77216842, 14.17634097, 13.00724394,
|
|
810
|
+
7.33745139, 11.68663778, 9.74553484, 10.38228877, 13.72793066,
|
|
811
|
+
15.47584264, 4.63098232, 14.10755248, 12.09380609, 13.3478497 ,
|
|
812
|
+
9.52825233, 16.52457824, 6.67705599, 9.98144777, 13.41689489,
|
|
813
|
+
10.77728382, 13.52304351, 17.30058891, 13.40607422, 14.54679752,
|
|
814
|
+
12.40746108, 13.03618451, 15.63029831, 14.61102195, 14.91205602,
|
|
815
|
+
7.83490691, 15.65940363, 13.39435922, 12.15381242, 18.54443755,
|
|
816
|
+
13.69602952, 9.66399217, 8.78247606, 17.01606846, 10.24575702,
|
|
817
|
+
9.45659483, 9.47314765, 12.99511121, 14.06910108, 7.27698167,
|
|
818
|
+
7.07690237, 12.68106448, 14.95951706, 9.86968325, 7.56505568,
|
|
819
|
+
11.16134479, 10.23313075, 11.85848785, 14.74191108, 17.05510993,
|
|
820
|
+
16.9862184 , 12.2564015 , 10.93968714, 15.30167956, 11.61724376,
|
|
821
|
+
5.69614198, 6.92692222, 12.8101883 , 13.8865047 , 14.02129903,
|
|
822
|
+
9.99974618, 4.52931737, 11.63853582, 3.03523776, 13.33358058,
|
|
823
|
+
14.61811649, 9.17010358, 15.43046322, 6.67194401, 14.58522259,
|
|
824
|
+
11.61075149, 7.79561779, 9.06501566, 9.55569018, 15.58967849,
|
|
825
|
+
11.71028543, 14.76017023, 15.16642806, 11.07121076, 4.11604658,
|
|
826
|
+
17.44311726, 12.35099306, 11.07666243, 15.49798333, 21.6357812 ,
|
|
827
|
+
11.65830427, 15.98344232, 17.88262168, 13.54676507, 16.6484437 ,
|
|
828
|
+
13.96117514, 14.12836155, 15.12835964, 18.82867792, 10.39025482,
|
|
829
|
+
11.62023945, 8.01949447, 12.01556067, 14.05326401, 15.22040944,
|
|
830
|
+
14.4366836 , 16.25801028, 10.70484594, 12.47194826, 9.73241794,
|
|
831
|
+
7.83197886, 12.79703477, 14.86020936, 20.60785388, 7.60261554,
|
|
832
|
+
12.35394925, 9.30835578, 7.14509754, 9.48693599, 13.48572795,
|
|
833
|
+
4.43154687, 15.53838671, 16.13946126, 11.83453271, 7.02849507,
|
|
834
|
+
9.9992658 , 13.5412093 , 7.8772154 , 5.27826641, 17.07009366,
|
|
835
|
+
13.06332155, 11.04734786, 4.62950826, 13.80205684, 16.32485245,
|
|
836
|
+
11.58476043, 17.03575044, 7.99200628, 15.13789789, 13.68418964,
|
|
837
|
+
11.44898685, 14.36557244, 6.7666514 , 10.58012836, 13.90014809,
|
|
838
|
+
14.29593232, 9.02228555, 14.041183 , 6.99391147, 14.77841219,
|
|
839
|
+
7.55808524, 8.77282081, 11.9569199 , 6.61068791, 4.47887047,
|
|
840
|
+
9.98397752, 15.87118545, 13.22975652, 11.8398227 , 19.08623473,
|
|
841
|
+
16.32066344, 12.52116397, 8.4370716 , 12.90248561, 15.19129564])
|
|
842
|
+
"""
|
|
843
|
+
...
|
|
844
|
+
|
|
845
|
+
|
|
846
|
+
def all_distances(atoms: Atoms, filter: Optional[fastatomstruct.Filter] = None) -> List[NDArray]:
|
|
847
|
+
"""Distances of each atom to all other atoms.
|
|
848
|
+
|
|
849
|
+
Arguments:
|
|
850
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
851
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
852
|
+
|
|
853
|
+
Returns:
|
|
854
|
+
List containing one array of floats for each atom
|
|
855
|
+
|
|
856
|
+
Examples
|
|
857
|
+
--------
|
|
858
|
+
|
|
859
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
860
|
+
|
|
861
|
+
>>> import fastatomstruct as fs
|
|
862
|
+
>>> import numpy as np
|
|
863
|
+
>>> from ase import io
|
|
864
|
+
>>> atoms = io.read("Sb540.traj")
|
|
865
|
+
>>> d = np.array(fs.all_distances(atoms))
|
|
866
|
+
>>> d
|
|
867
|
+
array([[ 0. , 13.45305427, 2.91828225, ..., 8.4370716 ,
|
|
868
|
+
12.90248561, 15.19129564],
|
|
869
|
+
[13.45305427, 0. , 13.41206116, ..., 11.12712855,
|
|
870
|
+
7.16928015, 13.45660093],
|
|
871
|
+
[ 2.91828225, 13.41206116, 0. , ..., 6.8906441 ,
|
|
872
|
+
12.97953841, 13.27298255],
|
|
873
|
+
...,
|
|
874
|
+
[ 8.4370716 , 11.12712855, 6.8906441 , ..., 0. ,
|
|
875
|
+
12.12511465, 13.76358893],
|
|
876
|
+
[12.90248561, 7.16928015, 12.97953841, ..., 12.12511465,
|
|
877
|
+
0. , 13.02275278],
|
|
878
|
+
[15.19129564, 13.45660093, 13.27298255, ..., 13.76358893,
|
|
879
|
+
13.02275278, 0. ]])
|
|
880
|
+
>>> d.shape
|
|
881
|
+
(540, 540)
|
|
882
|
+
"""
|
|
883
|
+
...
|
|
884
|
+
|
|
885
|
+
|
|
886
|
+
def distance_vectors(atoms: Atoms, i: int, filter: Optional[fastatomstruct.Filter] = None) -> NDArray:
|
|
887
|
+
"""Distance vectors between one atom and all other atoms.
|
|
888
|
+
|
|
889
|
+
Arguments:
|
|
890
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
891
|
+
i (int): Atom index
|
|
892
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
893
|
+
|
|
894
|
+
Returns:
|
|
895
|
+
Distance vectors (2D array of floats) for this atom
|
|
896
|
+
|
|
897
|
+
Examples
|
|
898
|
+
--------
|
|
899
|
+
|
|
900
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
901
|
+
|
|
902
|
+
>>> import fastatomstruct as fs
|
|
903
|
+
>>> from ase import io
|
|
904
|
+
>>> atoms = io.read("Sb540.traj")
|
|
905
|
+
>>> fs.distance_vectors(atoms, 0)
|
|
906
|
+
array([[ 0. , 0. , 0. ],
|
|
907
|
+
[-12.51621245, -1.81873614, 4.58489846],
|
|
908
|
+
[ 0.70907609, -2.7956268 , -0.4450317 ],
|
|
909
|
+
...,
|
|
910
|
+
[ -4.8092365 , -6.69770233, -1.78779332],
|
|
911
|
+
[ 12.63852603, 2.2464042 , -1.30209939],
|
|
912
|
+
[ 9.35835886, -7.42100408, -9.38750666]])
|
|
913
|
+
"""
|
|
914
|
+
...
|
|
915
|
+
|
|
916
|
+
|
|
917
|
+
def all_distance_vectors(atoms: Atoms, i: int, filter: Optional[fastatomstruct.Filter] = None) -> List[NDArray]:
|
|
918
|
+
"""Distance vectors between all atoms and all other atoms.
|
|
919
|
+
|
|
920
|
+
Arguments:
|
|
921
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
922
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
923
|
+
|
|
924
|
+
Returns:
|
|
925
|
+
Distance vectors (list of 2D arrays of floats) for all atoms
|
|
926
|
+
|
|
927
|
+
Examples
|
|
928
|
+
--------
|
|
929
|
+
|
|
930
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
931
|
+
|
|
932
|
+
>>> import fastatomstruct as fs
|
|
933
|
+
>>> from ase import io
|
|
934
|
+
>>> atoms = io.read("Sb540.traj")
|
|
935
|
+
>>> fs.all_distance_vectors(atoms)
|
|
936
|
+
[..., array([[-12.63852603, -2.2464042 , 1.30209939],
|
|
937
|
+
[ 0.46526151, -4.06514034, 5.88699785],
|
|
938
|
+
[-11.92944994, -5.04203099, 0.85706769],
|
|
939
|
+
...,
|
|
940
|
+
[ 8.17223747, -8.94410653, -0.48569392],
|
|
941
|
+
[ 0. , 0. , 0. ],
|
|
942
|
+
[ -3.28016718, -9.66740827, -8.08540726]]), array([[ -9.35835886, 7.42100408, 9.38750666],
|
|
943
|
+
[ 3.74542869, 5.60226793, -11.64759489],
|
|
944
|
+
[ -8.64928276, 4.62537728, 8.94247496],
|
|
945
|
+
...,
|
|
946
|
+
[ 11.45240464, 0.72330175, 7.59971334],
|
|
947
|
+
[ 3.28016718, 9.66740827, 8.08540726],
|
|
948
|
+
[ 0. , 0. , 0. ]])]
|
|
949
|
+
"""
|
|
950
|
+
|
|
951
|
+
|
|
952
|
+
def r_theta_phi(atoms: Atoms, filter: Optional[fastatomstruct.Filter] = None) -> List[List]:
|
|
953
|
+
"""List of distances and angles of an atom to all other atoms.
|
|
954
|
+
|
|
955
|
+
Arguments:
|
|
956
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
957
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
958
|
+
|
|
959
|
+
Returns:
|
|
960
|
+
List of three lists (r, theta, and phi)
|
|
961
|
+
|
|
962
|
+
Examples
|
|
963
|
+
--------
|
|
964
|
+
|
|
965
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
966
|
+
|
|
967
|
+
>>> import fastatomstruct as fs
|
|
968
|
+
>>> from ase import io
|
|
969
|
+
>>> atoms = io.read("Sb540.traj")
|
|
970
|
+
>>> rtp = fs.r_theta_phi(atoms)
|
|
971
|
+
>>> len(rtp)
|
|
972
|
+
540
|
|
973
|
+
>>> rtp[0]
|
|
974
|
+
(array([ 0. , 13.45305427, 2.91828225, 11.63855946, 14.23152337,
|
|
975
|
+
12.98086183, 10.09229625, 7.97052848, 12.48575892, 11.68376213,
|
|
976
|
+
10.90332209, 7.74104435, 16.15190625, 16.24227574, 9.87187816,
|
|
977
|
+
11.66458514, 14.68663104, 11.71660523, 16.71265741, 11.72043018,
|
|
978
|
+
12.65826558, 13.49519165, 9.41687702, 19.99444408, 10.37973443,
|
|
979
|
+
7.99728229, 13.61816274, 13.50774181, 15.42548069, 12.78331659,
|
|
980
|
+
14.69245551, 14.52264404, 12.80632247, 14.6919333 , 12.7525009 ,
|
|
981
|
+
8.81892663, 13.08456575, 15.78227991, 10.55052004, 7.38462546,
|
|
982
|
+
13.89727903, 12.97814224, 9.07994266, 7.3494056 , 16.6598059 ,
|
|
983
|
+
15.77506224, 18.8148011 , 14.94695883, 19.54346046, 13.09210181,
|
|
984
|
+
18.52370806, 13.21267724, 17.53237126, 13.69773798, 9.92318978,
|
|
985
|
+
15.24722512, 12.68169007, 17.47706352, 13.38001098, 17.3142893 ,
|
|
986
|
+
16.07975324, 9.50590849, 12.25494589, 14.84074353, 11.61823972,
|
|
987
|
+
13.01514489, 14.26862774, 11.93514476, 12.9590854 , 11.37955313,
|
|
988
|
+
10.93736885, 16.57102791, 5.76662189, 4.87728443, 6.60290485,
|
|
989
|
+
14.95309546, 8.13378436, 11.65879917, 12.06845717, 4.60399339,
|
|
990
|
+
16.01095523, 16.53982762, 10.06996221, 14.30801786, 17.24454067,
|
|
991
|
+
10.02425226, 15.83478322, 6.43750202, 9.41839457, 6.45394489,
|
|
992
|
+
12.61765436, 10.34916904, 18.71061698, 12.20284299, 13.0766057 ,
|
|
993
|
+
15.68238841, 15.78768235, 8.78146163, 11.14209921, 3.47372848,
|
|
994
|
+
15.44425666, 13.18397683, 8.86465355, 15.85267195, 17.08010766,
|
|
995
|
+
18.56117449, 7.00701062, 14.20679296, 16.71142292, 12.98804769,
|
|
996
|
+
12.0010191 , 11.06064295, 10.75372142, 16.04795803, 9.83823783,
|
|
997
|
+
14.45299861, 9.77181582, 14.27364656, 10.04037206, 14.36592624,
|
|
998
|
+
13.24780974, 12.56878422, 12.9189609 , 17.70972824, 9.74302193,
|
|
999
|
+
12.43186957, 13.17125831, 5.9644202 , 10.61360209, 16.05632274,
|
|
1000
|
+
4.38268784, 6.64795492, 15.3985803 , 12.27211505, 12.23781216,
|
|
1001
|
+
15.19248623, 6.97400373, 15.83467251, 10.95976576, 13.82044358,
|
|
1002
|
+
10.46063164, 14.13769976, 16.12717333, 6.69155193, 14.47967226,
|
|
1003
|
+
14.12287337, 14.14127043, 13.73241727, 15.14378575, 12.56603332,
|
|
1004
|
+
16.41958784, 18.96442397, 15.20458993, 11.84955346, 15.45205798,
|
|
1005
|
+
19.22840534, 5.57137442, 15.48363621, 10.50039429, 13.37120077,
|
|
1006
|
+
12.9950963 , 15.33644961, 14.00486711, 9.55342674, 7.76769412,
|
|
1007
|
+
13.4878439 , 11.54713584, 15.3088453 , 9.68247744, 15.84401275,
|
|
1008
|
+
12.37422573, 10.22809455, 14.26282979, 14.42670532, 8.05950516,
|
|
1009
|
+
11.99431538, 11.65799056, 16.19542765, 13.61548693, 14.15165814,
|
|
1010
|
+
17.28402126, 5.34348235, 16.54436515, 15.77318309, 9.63491383,
|
|
1011
|
+
6.82168988, 13.0779276 , 13.90074491, 11.41176921, 8.76332105,
|
|
1012
|
+
12.02279105, 16.55599001, 11.01432106, 14.10949256, 16.18903138,
|
|
1013
|
+
13.83397709, 10.89930383, 14.03046053, 7.23702111, 12.34905376,
|
|
1014
|
+
13.55005226, 13.19399613, 11.89725048, 9.46956465, 7.3034463 ,
|
|
1015
|
+
11.32760465, 2.86753452, 15.52769025, 11.61745584, 18.35310755,
|
|
1016
|
+
17.04176701, 11.2150203 , 13.2986454 , 13.82744104, 8.69116788,
|
|
1017
|
+
15.2131513 , 20.58778579, 16.85423355, 15.31951296, 9.23490219,
|
|
1018
|
+
9.34737321, 18.3200486 , 13.2038814 , 13.42948245, 11.14406463,
|
|
1019
|
+
11.72218223, 14.30153769, 10.4520376 , 15.9071007 , 14.88436765,
|
|
1020
|
+
13.93347168, 11.0300734 , 12.97898727, 15.52743615, 13.72518434,
|
|
1021
|
+
13.32411846, 13.91096185, 9.46029323, 10.58043842, 14.67039595,
|
|
1022
|
+
11.33730806, 11.30891943, 12.87706341, 9.70928192, 13.28087182,
|
|
1023
|
+
9.25479839, 15.54783952, 8.61200567, 10.4780869 , 15.80128269,
|
|
1024
|
+
17.28461507, 6.18083802, 7.43525484, 14.40223132, 10.80872322,
|
|
1025
|
+
15.47823572, 8.95531222, 13.65618381, 6.84293173, 10.79021807,
|
|
1026
|
+
13.22834315, 17.33153406, 15.39201146, 11.34007454, 15.16520504,
|
|
1027
|
+
17.00098423, 10.4366974 , 16.73077809, 10.55015716, 7.22746613,
|
|
1028
|
+
9.78536784, 11.8135512 , 16.22434369, 13.19639842, 15.19389069,
|
|
1029
|
+
18.1126051 , 4.17592756, 7.63884459, 16.49653812, 13.48689902,
|
|
1030
|
+
17.26272358, 5.5249288 , 3.44397171, 17.60236508, 18.57300126,
|
|
1031
|
+
13.57520375, 16.55796129, 13.73036349, 9.82404664, 6.89819332,
|
|
1032
|
+
15.37062647, 13.65269438, 11.12700634, 11.84702993, 9.9336438 ,
|
|
1033
|
+
12.81712995, 9.80413585, 9.05876343, 9.59115285, 16.63543699,
|
|
1034
|
+
9.8931421 , 9.47635956, 10.78592697, 11.24607161, 12.71695417,
|
|
1035
|
+
13.79395519, 13.99265941, 9.29879488, 13.68382268, 11.56198213,
|
|
1036
|
+
12.22030669, 14.33775085, 4.59554466, 7.22303138, 13.79472222,
|
|
1037
|
+
8.13255815, 9.89700931, 7.06525584, 14.36192485, 9.28105027,
|
|
1038
|
+
10.26096821, 9.71585209, 18.3987585 , 11.17951846, 13.35381558,
|
|
1039
|
+
14.49531169, 10.72890458, 12.91393083, 11.82131475, 12.73821845,
|
|
1040
|
+
6.91370051, 13.42814544, 4.04684835, 12.04687045, 16.14922856,
|
|
1041
|
+
13.69096176, 15.78890843, 13.31954903, 3.10205758, 10.5318126 ,
|
|
1042
|
+
11.23001924, 7.39202829, 7.54312267, 18.10321074, 17.39011203,
|
|
1043
|
+
12.21433378, 13.08225024, 11.01887903, 14.76007905, 12.36980948,
|
|
1044
|
+
7.87089367, 9.86418651, 11.24515449, 16.17805612, 15.27997295,
|
|
1045
|
+
15.02977129, 16.71976536, 12.94306732, 9.99203251, 20.34685389,
|
|
1046
|
+
10.48159708, 13.25482269, 18.44021135, 9.59041856, 5.98710024,
|
|
1047
|
+
17.10962816, 13.69695405, 7.34353324, 8.22716915, 12.27095652,
|
|
1048
|
+
12.01303339, 4.13135534, 16.63964055, 9.45073445, 10.86616122,
|
|
1049
|
+
11.41424525, 5.36565446, 13.77216842, 14.17634097, 13.00724394,
|
|
1050
|
+
7.33745139, 11.68663778, 9.74553484, 10.38228877, 13.72793066,
|
|
1051
|
+
15.47584264, 4.63098232, 14.10755248, 12.09380609, 13.3478497 ,
|
|
1052
|
+
9.52825233, 16.52457824, 6.67705599, 9.98144777, 13.41689489,
|
|
1053
|
+
10.77728382, 13.52304351, 17.30058891, 13.40607422, 14.54679752,
|
|
1054
|
+
12.40746108, 13.03618451, 15.63029831, 14.61102195, 14.91205602,
|
|
1055
|
+
7.83490691, 15.65940363, 13.39435922, 12.15381242, 18.54443755,
|
|
1056
|
+
13.69602952, 9.66399217, 8.78247606, 17.01606846, 10.24575702,
|
|
1057
|
+
9.45659483, 9.47314765, 12.99511121, 14.06910108, 7.27698167,
|
|
1058
|
+
7.07690237, 12.68106448, 14.95951706, 9.86968325, 7.56505568,
|
|
1059
|
+
11.16134479, 10.23313075, 11.85848785, 14.74191108, 17.05510993,
|
|
1060
|
+
16.9862184 , 12.2564015 , 10.93968714, 15.30167956, 11.61724376,
|
|
1061
|
+
5.69614198, 6.92692222, 12.8101883 , 13.8865047 , 14.02129903,
|
|
1062
|
+
9.99974618, 4.52931737, 11.63853582, 3.03523776, 13.33358058,
|
|
1063
|
+
14.61811649, 9.17010358, 15.43046322, 6.67194401, 14.58522259,
|
|
1064
|
+
11.61075149, 7.79561779, 9.06501566, 9.55569018, 15.58967849,
|
|
1065
|
+
11.71028543, 14.76017023, 15.16642806, 11.07121076, 4.11604658,
|
|
1066
|
+
17.44311726, 12.35099306, 11.07666243, 15.49798333, 21.6357812 ,
|
|
1067
|
+
11.65830427, 15.98344232, 17.88262168, 13.54676507, 16.6484437 ,
|
|
1068
|
+
13.96117514, 14.12836155, 15.12835964, 18.82867792, 10.39025482,
|
|
1069
|
+
11.62023945, 8.01949447, 12.01556067, 14.05326401, 15.22040944,
|
|
1070
|
+
14.4366836 , 16.25801028, 10.70484594, 12.47194826, 9.73241794,
|
|
1071
|
+
7.83197886, 12.79703477, 14.86020936, 20.60785388, 7.60261554,
|
|
1072
|
+
12.35394925, 9.30835578, 7.14509754, 9.48693599, 13.48572795,
|
|
1073
|
+
4.43154687, 15.53838671, 16.13946126, 11.83453271, 7.02849507,
|
|
1074
|
+
9.9992658 , 13.5412093 , 7.8772154 , 5.27826641, 17.07009366,
|
|
1075
|
+
13.06332155, 11.04734786, 4.62950826, 13.80205684, 16.32485245,
|
|
1076
|
+
11.58476043, 17.03575044, 7.99200628, 15.13789789, 13.68418964,
|
|
1077
|
+
11.44898685, 14.36557244, 6.7666514 , 10.58012836, 13.90014809,
|
|
1078
|
+
14.29593232, 9.02228555, 14.041183 , 6.99391147, 14.77841219,
|
|
1079
|
+
7.55808524, 8.77282081, 11.9569199 , 6.61068791, 4.47887047,
|
|
1080
|
+
9.98397752, 15.87118545, 13.22975652, 11.8398227 , 19.08623473,
|
|
1081
|
+
16.32066344, 12.52116397, 8.4370716 , 12.90248561, 15.19129564]), array([0. , 1.22302091, 1.7238915 , 0.47646215, 1.62384316,
|
|
1082
|
+
2.95326345, 1.10723667, 1.97824638, 1.79039151, 2.39433773,
|
|
1083
|
+
1.2131014 , 2.01979774, 0.77866993, 1.57821039, 2.66511577,
|
|
1084
|
+
1.97935002, 0.75387289, 1.18201577, 1.97027174, 2.49732039,
|
|
1085
|
+
1.69102013, 0.90792801, 1.76572344, 2.25929041, 1.31648984,
|
|
1086
|
+
1.10970093, 1.28627299, 1.40759739, 2.0220961 , 2.30083338,
|
|
1087
|
+
2.26100634, 2.41869043, 1.47723175, 2.44552962, 0.95726838,
|
|
1088
|
+
2.46909512, 2.01322501, 0.9848478 , 1.97446629, 1.51123056,
|
|
1089
|
+
2.01738023, 1.1315978 , 0.15840277, 1.37127406, 0.9727314 ,
|
|
1090
|
+
2.38549664, 2.10231654, 1.82194757, 0.87050439, 1.00498966,
|
|
1091
|
+
0.82312658, 0.79746472, 1.02458 , 2.5442081 , 1.45667487,
|
|
1092
|
+
0.97644397, 1.95252473, 1.19202475, 1.39691644, 1.97138786,
|
|
1093
|
+
2.4206387 , 2.11263437, 1.23473594, 1.02928194, 0.87030377,
|
|
1094
|
+
1.02659501, 2.08872068, 1.67049213, 1.09728166, 1.54595987,
|
|
1095
|
+
2.1562678 , 2.16282083, 2.18634168, 1.15958952, 1.23419981,
|
|
1096
|
+
0.71061967, 2.43593949, 1.5317282 , 1.3572686 , 1.51646963,
|
|
1097
|
+
2.28299442, 1.76999577, 0.5594528 , 1.00609091, 0.93199362,
|
|
1098
|
+
0.71603707, 0.74104541, 2.95048048, 1.3623519 , 1.40197129,
|
|
1099
|
+
2.62120414, 1.9403318 , 1.04912261, 1.13070678, 1.19519909,
|
|
1100
|
+
0.7870274 , 0.6380334 , 2.45801875, 2.28248212, 2.93587653,
|
|
1101
|
+
1.22999389, 2.22557633, 2.19917033, 2.24772066, 2.34285022,
|
|
1102
|
+
2.13029904, 1.60718437, 1.18233418, 2.38568283, 2.95961546,
|
|
1103
|
+
2.18742368, 1.78419664, 0.47331643, 1.59197429, 2.6579909 ,
|
|
1104
|
+
1.61082153, 1.88798121, 1.2023511 , 0.49729666, 2.22021477,
|
|
1105
|
+
1.8984104 , 1.92201191, 1.21511248, 2.3241126 , 2.20329608,
|
|
1106
|
+
2.30130918, 2.62659774, 1.66093286, 1.72307745, 1.15828406,
|
|
1107
|
+
2.18012325, 1.26145036, 2.48133935, 0.8349398 , 0.92599819,
|
|
1108
|
+
1.9790025 , 1.32220431, 2.37099303, 1.08925441, 0.65266139,
|
|
1109
|
+
2.41423862, 1.62965686, 1.39481077, 0.58485455, 2.50791136,
|
|
1110
|
+
1.31159722, 0.63233387, 2.40028931, 2.20125791, 1.46410673,
|
|
1111
|
+
0.94252098, 1.9372445 , 1.07546467, 2.51827937, 1.1937498 ,
|
|
1112
|
+
1.05846694, 0.83237417, 1.07195918, 2.50680572, 2.46794706,
|
|
1113
|
+
2.0199967 , 1.56230372, 1.34579508, 0.82875857, 1.89105444,
|
|
1114
|
+
1.75287859, 1.10716431, 0.85515772, 0.78320891, 1.55331883,
|
|
1115
|
+
1.75029388, 1.36241211, 0.5840545 , 1.02807456, 0.61534178,
|
|
1116
|
+
0.71542827, 2.722047 , 1.35778715, 2.50432546, 2.22848318,
|
|
1117
|
+
2.23182758, 0.91976347, 2.01743627, 1.74288568, 0.39544338,
|
|
1118
|
+
1.63979555, 2.07963519, 0.66750854, 2.34167012, 1.44621272,
|
|
1119
|
+
0.85474408, 1.20217374, 0.75335583, 2.22580185, 2.31158974,
|
|
1120
|
+
2.51757698, 1.14527508, 0.76528402, 0.98340388, 1.25519079,
|
|
1121
|
+
0.57437818, 0.9276409 , 1.07399901, 1.68738768, 1.32428387,
|
|
1122
|
+
0.80006258, 0.04782869, 2.00106456, 2.31464642, 0.86119476,
|
|
1123
|
+
2.37432318, 1.4649733 , 2.08993288, 0.89274159, 1.00690789,
|
|
1124
|
+
0.97314198, 2.08723753, 1.18667011, 1.1280919 , 0.65933608,
|
|
1125
|
+
2.51583271, 0.90189469, 1.90567992, 0.97459249, 0.72467736,
|
|
1126
|
+
0.46590933, 1.82097291, 1.39166894, 0.89390057, 2.07480425,
|
|
1127
|
+
1.54478666, 1.14974382, 2.74020996, 2.32631452, 0.36808817,
|
|
1128
|
+
2.18533038, 2.14227248, 0.89798061, 2.93138663, 1.32406887,
|
|
1129
|
+
2.40343412, 2.26136956, 1.45359315, 1.45525469, 2.17635922,
|
|
1130
|
+
1.72734781, 0.80535713, 1.02119857, 1.46800377, 0.8215235 ,
|
|
1131
|
+
0.81739778, 1.70710033, 2.80271241, 2.47774945, 1.11414251,
|
|
1132
|
+
1.00347968, 2.15156538, 0.65570324, 0.5231689 , 2.63245244,
|
|
1133
|
+
1.9796373 , 2.19805588, 0.70110851, 2.33818557, 0.90772044,
|
|
1134
|
+
0.84479394, 1.78537261, 2.19521117, 1.11817448, 1.90068736,
|
|
1135
|
+
2.04316663, 1.65296857, 2.15212189, 0.91759358, 0.76945467,
|
|
1136
|
+
0.98915659, 2.36096369, 1.38276015, 0.86428906, 1.87937089,
|
|
1137
|
+
2.23663568, 2.1776537 , 1.43978589, 1.77779368, 2.29306394,
|
|
1138
|
+
1.3788257 , 0.81485191, 0.65995997, 0.71020451, 2.1822808 ,
|
|
1139
|
+
2.47812418, 0.9067476 , 2.65595263, 0.46611543, 1.73038152,
|
|
1140
|
+
0.89305432, 1.39403462, 0.93851792, 2.09934207, 2.18406997,
|
|
1141
|
+
1.45974351, 1.20308517, 1.69774085, 2.02890379, 1.44236564,
|
|
1142
|
+
2.14180396, 2.16675634, 1.72622341, 0.55420182, 2.18147231,
|
|
1143
|
+
0.91475956, 1.3910534 , 0.67953891, 2.50019276, 1.02469631,
|
|
1144
|
+
0.85997206, 0.26999289, 2.15911905, 2.63711985, 2.31942982,
|
|
1145
|
+
2.09306493, 2.9390576 , 0.8642066 , 0.95146373, 1.91639733,
|
|
1146
|
+
1.41930901, 0.71167437, 1.96570719, 1.22049595, 1.77612122,
|
|
1147
|
+
0.3335231 , 0.58774261, 1.81334148, 0.62008523, 0.89475238,
|
|
1148
|
+
1.15040084, 2.34482331, 0.37300647, 1.65967357, 1.96575657,
|
|
1149
|
+
0.50320774, 1.79942307, 2.24251415, 2.11552818, 0.97663611,
|
|
1150
|
+
1.70114442, 1.53776515, 0.74239722, 2.46944736, 1.24508309,
|
|
1151
|
+
0.9705605 , 1.64133836, 0.79287013, 2.36267897, 1.76010388,
|
|
1152
|
+
1.12659205, 2.15343821, 1.63883704, 1.59134054, 0.91505453,
|
|
1153
|
+
1.16893309, 0.47638906, 2.14777958, 0.43809548, 0.13252755,
|
|
1154
|
+
1.21708536, 1.78465189, 0.7528546 , 1.87088635, 0.60715976,
|
|
1155
|
+
0.91865922, 0.75122381, 0.78396458, 2.88214306, 1.76421523,
|
|
1156
|
+
1.58689834, 2.46287124, 2.37551272, 0.74961164, 2.34149992,
|
|
1157
|
+
2.19276542, 1.83402182, 2.32989978, 0.25525475, 2.51900063,
|
|
1158
|
+
1.79279969, 0.81391856, 1.79095151, 1.77307293, 2.72950402,
|
|
1159
|
+
1.88864462, 0.86027407, 1.82916189, 1.06092249, 1.46289744,
|
|
1160
|
+
1.49709851, 0.66301639, 0.77924025, 0.91384556, 1.811294 ,
|
|
1161
|
+
0.1276993 , 2.75092982, 2.35105093, 0.58939071, 2.18471084,
|
|
1162
|
+
1.78231963, 2.37516393, 1.23776859, 2.00949013, 2.31828135,
|
|
1163
|
+
2.14810196, 2.16868096, 1.53178233, 1.03077874, 1.10618988,
|
|
1164
|
+
1.75685873, 1.23964235, 2.33682559, 1.26223319, 2.75896605,
|
|
1165
|
+
0.4772932 , 0.35437454, 2.13014865, 2.00379702, 0.6771264 ,
|
|
1166
|
+
2.077447 , 2.06516742, 2.29955034, 0.9492543 , 2.34127067,
|
|
1167
|
+
2.41438855, 1.84730638, 2.37440368, 0.83354872, 1.94599066,
|
|
1168
|
+
1.9402149 , 2.72560449, 2.03462606, 2.53062944, 2.1949429 ,
|
|
1169
|
+
2.87193928, 1.61057202, 1.42689054, 1.61804163, 0.75940871,
|
|
1170
|
+
1.8539287 , 0.92894221, 0.77296501, 1.80376766, 1.98079022,
|
|
1171
|
+
2.02180853, 2.49251142, 1.35744012, 1.42560564, 0.61685182,
|
|
1172
|
+
1.39472516, 1.11573945, 0.81272365, 2.13968972, 0.86974214,
|
|
1173
|
+
1.93547254, 1.71278327, 0.96688879, 0.78864187, 0.94713233,
|
|
1174
|
+
2.66627438, 2.01992385, 2.2898705 , 1.60077403, 2.40170347,
|
|
1175
|
+
2.21992742, 1.5991143 , 2.17810733, 0.82794101, 0.28337881,
|
|
1176
|
+
2.70621422, 1.18341575, 1.77335606, 1.03963344, 1.97724589,
|
|
1177
|
+
1.39185332, 0.74868966, 1.76779094, 0.35063194, 1.40492085,
|
|
1178
|
+
1.08270857, 1.50385546, 2.19386743, 0.9313968 , 1.20041681,
|
|
1179
|
+
1.11613366, 2.53308361, 2.55426397, 1.69759207, 2.01964201,
|
|
1180
|
+
2.47572556, 2.33621761, 2.30231849, 2.34163468, 2.15703724,
|
|
1181
|
+
1.38199887, 1.53144935, 0.44028149, 1.04932209, 0.91289674,
|
|
1182
|
+
2.46872048, 1.1105031 , 1.3561764 , 1.57168665, 1.38284512,
|
|
1183
|
+
0.75672232, 1.08250932, 0.95224188, 1.18715148, 2.75779514,
|
|
1184
|
+
2.01260113, 0.48351781, 1.19450625, 2.64000735, 1.99364176,
|
|
1185
|
+
0.98931373, 1.55812588, 1.30538253, 1.48551471, 2.07780508,
|
|
1186
|
+
2.31695416, 0.94710817, 1.32388268, 1.69981202, 2.38133815,
|
|
1187
|
+
2.00307074, 2.35683828, 1.7821809 , 1.61342967, 1.04499877,
|
|
1188
|
+
1.37802239, 2.96502261, 1.78431234, 1.67188691, 2.23693274]), array([ 0.00000000e+00, -2.99729221e+00, -1.32239697e+00, 1.51887047e+00,
|
|
1189
|
+
-9.42639036e-01, 1.12525959e+00, 1.66504779e+00, 6.97584494e-01,
|
|
1190
|
+
-2.80240835e+00, 1.48973032e+00, -2.51346684e-01, -7.98195502e-01,
|
|
1191
|
+
3.09267947e+00, 2.34389877e+00, 1.91602782e+00, 2.90474375e+00,
|
|
1192
|
+
-2.20727943e+00, -1.74417610e+00, 8.91849207e-01, 8.45792477e-01,
|
|
1193
|
+
-1.13288599e+00, -1.18406697e+00, -1.71265255e+00, -2.52038376e+00,
|
|
1194
|
+
4.40006127e-01, -3.67319565e-01, -2.74684556e+00, 3.57066602e-01,
|
|
1195
|
+
6.90189973e-01, -1.95966833e+00, 8.72938420e-01, 2.24471860e+00,
|
|
1196
|
+
-1.44688775e+00, 2.71594405e+00, -2.66748115e+00, -1.16334695e+00,
|
|
1197
|
+
-2.79792913e+00, 2.14350878e+00, -9.88422605e-01, -3.24930838e-01,
|
|
1198
|
+
-1.84017708e+00, -9.01070823e-01, -1.94271288e+00, 2.75276356e+00,
|
|
1199
|
+
-7.45623482e-01, -1.58218857e+00, -6.65881799e-01, 2.48381201e+00,
|
|
1200
|
+
-2.23356165e+00, 1.04935114e+00, -7.46199907e-01, -7.93702876e-01,
|
|
1201
|
+
2.32411438e+00, -1.61857376e+00, 1.36483873e+00, 2.46479295e+00,
|
|
1202
|
+
-3.08378895e+00, -2.36818881e+00, 2.47561493e+00, 2.20897694e+00,
|
|
1203
|
+
-2.22159123e+00, 2.75745153e+00, -2.42497928e+00, -1.67405501e-01,
|
|
1204
|
+
1.64654311e+00, -5.00712290e-01, 4.97043409e-01, 2.66573488e+00,
|
|
1205
|
+
6.41423843e-01, 1.12613280e+00, 1.04440484e+00, -2.38209962e+00,
|
|
1206
|
+
-4.33598720e-01, -2.22383332e+00, -3.01804741e+00, 2.71902862e+00,
|
|
1207
|
+
-3.17920290e-01, -4.48153017e-01, -8.56598837e-01, 9.39942931e-01,
|
|
1208
|
+
2.10032318e+00, -7.31249051e-01, -2.17919854e+00, 3.03251157e+00,
|
|
1209
|
+
-4.09666526e-01, 2.83775854e+00, -1.20258340e+00, 2.24441522e+00,
|
|
1210
|
+
-3.02584720e+00, 1.73016630e+00, -2.20208584e+00, 5.39050002e-01,
|
|
1211
|
+
6.85654800e-01, 2.68348719e+00, 3.04734411e+00, 1.90033836e+00,
|
|
1212
|
+
6.99327659e-01, 3.18343212e-01, -1.26202480e+00, 1.83039949e+00,
|
|
1213
|
+
-9.76144674e-01, 1.81543047e+00, 1.80321981e+00, 5.13266032e-01,
|
|
1214
|
+
1.32153477e+00, -2.21061865e+00, 6.10758750e-01, 2.46960392e+00,
|
|
1215
|
+
-2.61983499e+00, -4.35767967e-01, -9.45337043e-01, -2.00186832e+00,
|
|
1216
|
+
6.49158932e-01, -7.71235256e-01, 2.99929662e+00, 2.19231481e+00,
|
|
1217
|
+
-5.34189973e-01, 3.24073104e-01, -9.20993938e-01, -1.56866040e+00,
|
|
1218
|
+
2.66507897e+00, 1.77363750e-01, 1.68520959e+00, -2.38872993e+00,
|
|
1219
|
+
1.40833356e+00, -2.46618739e+00, 2.46231699e+00, -3.09479007e+00,
|
|
1220
|
+
2.88551829e+00, -2.54379176e+00, 1.76983797e+00, -1.44084525e+00,
|
|
1221
|
+
1.19053942e+00, 2.99193253e+00, -2.43716871e-01, -2.34389574e+00,
|
|
1222
|
+
-2.58301054e+00, 1.86667583e+00, -2.98853147e+00, 3.00645762e+00,
|
|
1223
|
+
-2.19722451e+00, 2.47731413e+00, 2.35207308e+00, -1.52186508e+00,
|
|
1224
|
+
1.53939294e+00, -2.23275421e+00, -4.28197899e-02, -8.86769424e-01,
|
|
1225
|
+
-1.81032183e+00, -3.01125516e+00, 8.31446155e-01, 2.36994257e+00,
|
|
1226
|
+
-2.75210726e+00, -6.40398255e-01, 5.42118417e-01, -2.36736214e+00,
|
|
1227
|
+
2.44719798e+00, 1.18126282e+00, 2.49097745e+00, -1.20098037e+00,
|
|
1228
|
+
-2.19776430e+00, -2.35352408e+00, -6.69289160e-01, -4.48630289e-01,
|
|
1229
|
+
1.32365036e+00, -2.53507778e+00, -1.12973453e+00, -5.62474666e-01,
|
|
1230
|
+
1.14749878e+00, 7.89138869e-01, -1.61719200e+00, -1.12015097e+00,
|
|
1231
|
+
-1.14006344e+00, 1.41214381e+00, 7.01800276e-01, 4.20680951e-01,
|
|
1232
|
+
-2.65572364e+00, 7.53434149e-01, 3.04590999e+00, -2.19017329e+00,
|
|
1233
|
+
2.30769451e+00, 8.33037921e-01, 2.48177597e+00, 8.17980557e-01,
|
|
1234
|
+
-2.71223984e+00, -9.03154678e-01, 8.68453161e-01, -1.90093872e+00,
|
|
1235
|
+
-2.76684559e+00, -2.27854088e+00, 1.96652840e+00, 2.32666383e+00,
|
|
1236
|
+
-2.49101511e+00, -2.86323624e+00, 2.86891339e+00, -2.83385889e+00,
|
|
1237
|
+
-2.66833532e+00, -3.16354039e-01, 1.67428691e+00, -4.80051909e-01,
|
|
1238
|
+
-1.51673582e+00, 6.97344445e-02, 3.72373832e-01, 1.76259035e-01,
|
|
1239
|
+
-1.88219445e+00, -1.87449741e+00, -7.68713276e-01, -2.03117656e+00,
|
|
1240
|
+
2.73224027e+00, 2.63122887e+00, -1.82571270e+00, -2.44392594e+00,
|
|
1241
|
+
-6.95553336e-01, 3.55014062e-01, -1.90122778e+00, 1.92425160e+00,
|
|
1242
|
+
2.36310998e+00, 7.23944149e-01, -2.24254762e+00, 1.56405781e+00,
|
|
1243
|
+
-2.61683512e+00, -1.00342729e+00, 2.31693045e+00, -1.79711009e+00,
|
|
1244
|
+
-1.51065746e+00, 2.10422497e+00, 6.65758682e-01, 2.01395175e+00,
|
|
1245
|
+
-2.39698125e+00, 2.29405535e+00, -2.54066240e+00, -1.45764145e+00,
|
|
1246
|
+
2.90398495e+00, 2.47570149e+00, 5.56221653e-01, 2.47491850e+00,
|
|
1247
|
+
2.89369365e+00, 4.84501873e-01, -2.01988546e+00, -2.55176129e+00,
|
|
1248
|
+
1.92796494e+00, 2.63411045e-01, 1.17590235e-01, -2.70944565e+00,
|
|
1249
|
+
-3.13408597e+00, -3.02095940e+00, -1.77249166e+00, -2.52674071e+00,
|
|
1250
|
+
-1.88180456e-01, 1.63068214e+00, 2.11581135e+00, -1.34053292e+00,
|
|
1251
|
+
-2.08378903e+00, -2.44587174e+00, 2.00639321e+00, 2.81149579e+00,
|
|
1252
|
+
-2.21029280e+00, 1.61137232e+00, -2.87770939e+00, -2.15835008e-01,
|
|
1253
|
+
-1.60827069e+00, -8.15065308e-01, 2.26889754e+00, -1.63155728e+00,
|
|
1254
|
+
6.14573549e-01, 2.82075644e+00, 1.45933227e+00, 7.23217488e-01,
|
|
1255
|
+
2.93905655e+00, 1.79738020e+00, -3.05660008e+00, 2.30880550e+00,
|
|
1256
|
+
1.06442049e+00, -1.45473119e+00, -1.49589029e+00, -2.52721882e+00,
|
|
1257
|
+
-3.12877125e+00, 2.15333189e+00, -2.21751274e-01, 4.34557720e-01,
|
|
1258
|
+
2.63667549e+00, 1.09961189e+00, 1.68967369e+00, 2.37608409e+00,
|
|
1259
|
+
-4.55239810e-01, 1.94277250e+00, 2.46793206e+00, -2.53426890e+00,
|
|
1260
|
+
2.15872652e+00, -1.26932164e+00, -3.59448614e-01, 2.26258558e+00,
|
|
1261
|
+
4.72992731e-01, 2.89649384e+00, 1.74171690e+00, -2.95853671e+00,
|
|
1262
|
+
-1.40288912e+00, -1.43628464e+00, 2.21336461e+00, -2.06177104e+00,
|
|
1263
|
+
-1.76097467e+00, 8.91053210e-01, 2.06371690e+00, -2.42168496e+00,
|
|
1264
|
+
1.70018284e+00, 2.21744169e-01, -1.28810938e+00, -1.37912257e+00,
|
|
1265
|
+
-2.87339184e+00, 5.85683519e-01, -2.21824133e+00, 2.15596521e+00,
|
|
1266
|
+
1.57339281e+00, 1.89267898e+00, -2.41719499e+00, -2.97603316e+00,
|
|
1267
|
+
-2.85614889e-01, -3.07077824e+00, 9.68908449e-01, 8.07764606e-01,
|
|
1268
|
+
-2.73271863e+00, 2.42830377e+00, 2.30505133e+00, -7.08796982e-01,
|
|
1269
|
+
-1.08562684e+00, -9.90818263e-01, -2.90850602e+00, -1.32894064e+00,
|
|
1270
|
+
1.09461943e+00, -2.21680356e+00, 1.47077582e+00, 2.47637280e+00,
|
|
1271
|
+
-2.23388209e+00, -5.33804078e-01, -2.05451152e+00, 1.90838719e+00,
|
|
1272
|
+
4.92920730e-03, -9.66502880e-01, 2.93644167e-01, 2.48248928e+00,
|
|
1273
|
+
-1.14641716e-01, 2.80193062e+00, -2.57243424e+00, 8.92606776e-01,
|
|
1274
|
+
-2.21777573e+00, -3.04689659e+00, -2.23543268e+00, 5.46489428e-02,
|
|
1275
|
+
-1.96942332e+00, -2.03886036e+00, 2.15013537e+00, -1.03545321e+00,
|
|
1276
|
+
2.47585925e+00, 1.57257439e+00, -2.35236239e+00, -6.83073959e-01,
|
|
1277
|
+
-4.97177247e-01, 4.06591473e-01, 4.98525562e-01, 2.48385793e+00,
|
|
1278
|
+
1.34976100e+00, -2.15753124e+00, 2.46943716e+00, -1.56001449e+00,
|
|
1279
|
+
-1.15706590e+00, -8.20253771e-01, 9.78454604e-01, -2.17839476e+00,
|
|
1280
|
+
-2.38967151e-01, 1.01220773e+00, 1.29278026e+00, -2.85445344e+00,
|
|
1281
|
+
-9.56258905e-01, 7.72612572e-01, -2.42443785e+00, 7.62138251e-01,
|
|
1282
|
+
-2.22537704e+00, 6.44911506e-01, 1.28167515e+00, -4.14154565e-01,
|
|
1283
|
+
-1.76218976e+00, 7.83100544e-01, -7.32265035e-01, 1.19584842e+00,
|
|
1284
|
+
-4.33207696e-02, 2.22022148e+00, 2.91581954e-02, -5.85111089e-01,
|
|
1285
|
+
-3.84870644e-01, 1.36577342e+00, 1.03532555e+00, 1.37907373e+00,
|
|
1286
|
+
-2.54127778e+00, 2.46937035e+00, -1.20084859e+00, -2.03569106e+00,
|
|
1287
|
+
2.00281569e+00, 6.00219500e-01, 2.66567778e+00, 2.03204122e+00,
|
|
1288
|
+
-2.10226305e+00, 2.05171728e+00, -1.30245974e+00, 3.99840192e-01,
|
|
1289
|
+
-2.57155254e+00, 2.16989098e+00, -2.88827088e+00, 1.41385368e+00,
|
|
1290
|
+
-1.03999328e-01, -2.04458458e+00, 2.08664475e+00, -1.34298916e-01,
|
|
1291
|
+
9.35203330e-01, 5.12290424e-01, -2.21215385e+00, -2.70316091e+00,
|
|
1292
|
+
-6.96345105e-01, 1.17825812e+00, -1.20306060e+00, -9.43208700e-01,
|
|
1293
|
+
1.36433291e-03, -2.74329641e+00, -1.03791684e+00, 1.83212413e-01,
|
|
1294
|
+
-7.37562156e-01, -1.95361742e+00, -1.66154407e+00, 2.23150660e+00,
|
|
1295
|
+
-9.19875868e-01, -2.38401802e-01, -5.93782112e-01, -7.45481849e-01,
|
|
1296
|
+
3.08512524e+00, 1.00028372e+00, 2.08362366e+00, 2.44710980e+00,
|
|
1297
|
+
5.40786782e-01, 1.25085421e+00, 1.92519512e+00, -2.91872741e-02,
|
|
1298
|
+
-5.58849229e-01, -5.33071055e-01, 2.67821317e+00, 3.13288790e+00,
|
|
1299
|
+
7.73220909e-01, -8.79006862e-01, -1.03560798e+00, -2.94444154e+00,
|
|
1300
|
+
-1.87078718e+00, 1.04728590e+00, 1.50237065e+00, 1.20113420e+00,
|
|
1301
|
+
2.46473452e+00, 1.71029852e+00, -7.86643787e-01, 2.27136171e+00,
|
|
1302
|
+
8.34624258e-01, -2.63757334e+00, -4.97889756e-01, -1.38339540e+00,
|
|
1303
|
+
-6.87090879e-01, -1.37273260e+00, 8.24785961e-01, 5.56740645e-02,
|
|
1304
|
+
2.32708692e+00, -1.07611994e+00, -8.35281566e-01, 1.11224599e+00,
|
|
1305
|
+
1.97733884e+00, 9.61717333e-01, 1.55077629e+00, 6.24233707e-01,
|
|
1306
|
+
-3.01444235e-01, 7.81285929e-01, 2.48148211e+00, -1.66004000e+00,
|
|
1307
|
+
5.45851919e-01, 1.17437789e+00, -2.03052952e+00, -5.60767197e-01,
|
|
1308
|
+
5.89675946e-01, 3.17495528e-01, -1.27153168e-01, -1.67766441e+00,
|
|
1309
|
+
2.93530477e+00, 1.18458516e+00, -2.77439786e+00, 1.28169107e+00,
|
|
1310
|
+
-8.71338202e-01, -9.85736731e-01, 2.27034153e+00, -1.74534548e+00,
|
|
1311
|
+
2.98366747e+00, 2.50251561e+00, -3.47619040e-01, -1.09828294e+00,
|
|
1312
|
+
2.75090590e-01, -1.02713709e+00, -1.13625145e-01, 3.17353750e-01,
|
|
1313
|
+
1.06991648e-01, 9.26368935e-01, 2.45803671e+00, -7.20747518e-01,
|
|
1314
|
+
1.15243640e+00, 3.12817983e-01, 5.29084513e-02, 2.41606871e+00,
|
|
1315
|
+
-6.25851494e-01, -7.98460973e-01, -1.08547036e+00, 9.95684524e-01,
|
|
1316
|
+
2.77356530e+00, 2.15372294e+00, -3.15174223e-02, 1.81092793e+00,
|
|
1317
|
+
-5.38714318e-01, 1.47165951e-01, 1.30664587e+00, -2.57361178e+00,
|
|
1318
|
+
1.64878302e+00, -6.34515656e-01, 9.10702818e-01, 1.27921121e+00,
|
|
1319
|
+
2.65846926e+00, 2.45348962e+00, 4.44149352e-02, 6.75189287e-01,
|
|
1320
|
+
1.54321306e-01, 3.80716290e-01, -1.30317636e+00, 3.10940192e+00,
|
|
1321
|
+
-1.83717001e+00, -8.16877080e-01, -8.51124222e-01, -2.36046052e+00,
|
|
1322
|
+
2.47195378e+00, -2.19352915e+00, 1.75905504e-01, -6.70446604e-01]))
|
|
1323
|
+
"""
|
|
1324
|
+
...
|
|
1325
|
+
|
|
1326
|
+
|
|
1327
|
+
def neighbour_lists(atoms: Atoms, r_cut: float, filter: Optional[fastatomstruct.Filter] = None) -> List[NDArray]:
|
|
1328
|
+
"""List of nearest neighbours for each atom.
|
|
1329
|
+
|
|
1330
|
+
Currently only supports one cutoff radius.
|
|
1331
|
+
|
|
1332
|
+
Arguments:
|
|
1333
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
1334
|
+
r_cut (float): cutoff radius
|
|
1335
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
1336
|
+
|
|
1337
|
+
Returns:
|
|
1338
|
+
List of 1D arrays
|
|
1339
|
+
|
|
1340
|
+
Examples
|
|
1341
|
+
--------
|
|
1342
|
+
|
|
1343
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
1344
|
+
|
|
1345
|
+
>>> import fastatomstruct as fs
|
|
1346
|
+
>>> from ase import io
|
|
1347
|
+
>>> atoms = io.read("Sb540.traj")
|
|
1348
|
+
>>> n = fs.neighbour_lists(atoms, 3.2)
|
|
1349
|
+
>>> len(n)
|
|
1350
|
+
540
|
|
1351
|
+
>>> n[0]
|
|
1352
|
+
array([ 2, 206, 338, 443], dtype=uint64)
|
|
1353
|
+
"""
|
|
1354
|
+
...
|
|
1355
|
+
|
|
1356
|
+
|
|
1357
|
+
def coordination_numbers(atoms: Atoms, r_cut: float, filter: Optional[fastatomstruct.Filter] = None) -> NDArray:
|
|
1358
|
+
"""Coordination number of each atom.
|
|
1359
|
+
|
|
1360
|
+
Currently only supports one cutoff radius.
|
|
1361
|
+
|
|
1362
|
+
Arguments:
|
|
1363
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
1364
|
+
r_cut (float): cutoff radius
|
|
1365
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
1366
|
+
|
|
1367
|
+
Returns:
|
|
1368
|
+
1D array of length n containing the coordination numbers
|
|
1369
|
+
|
|
1370
|
+
Examples
|
|
1371
|
+
--------
|
|
1372
|
+
|
|
1373
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
1374
|
+
|
|
1375
|
+
>>> import fastatomstruct as fs
|
|
1376
|
+
>>> from ase import io
|
|
1377
|
+
>>> atoms = io.read("Sb540.traj")
|
|
1378
|
+
>>> fs.coordination_numbers(atoms, 3.2)
|
|
1379
|
+
array([4, 3, 4, 5, 4, 4, 5, 3, 3, 4, 2, 3, 3, 5, 4, 3, 3, 3, 3, 3, 5, 2,
|
|
1380
|
+
5, 4, 4, 2, 3, 3, 3, 4, 4, 4, 2, 4, 5, 5, 5, 5, 3, 4, 4, 4, 3, 3,
|
|
1381
|
+
3, 4, 2, 3, 4, 4, 3, 3, 5, 3, 3, 6, 4, 4, 3, 3, 4, 3, 4, 4, 3, 3,
|
|
1382
|
+
4, 4, 5, 3, 4, 3, 4, 3, 4, 4, 3, 3, 4, 5, 4, 4, 4, 4, 4, 3, 3, 3,
|
|
1383
|
+
4, 5, 3, 3, 4, 4, 3, 4, 4, 3, 4, 4, 4, 4, 4, 5, 5, 3, 5, 5, 4, 4,
|
|
1384
|
+
3, 4, 3, 3, 3, 4, 4, 3, 3, 3, 4, 3, 4, 5, 3, 4, 4, 3, 3, 3, 3, 3,
|
|
1385
|
+
4, 3, 3, 2, 5, 2, 4, 4, 4, 4, 4, 4, 3, 3, 3, 4, 3, 4, 3, 1, 3, 5,
|
|
1386
|
+
5, 3, 4, 4, 3, 3, 4, 5, 5, 3, 4, 3, 3, 3, 2, 5, 4, 4, 2, 4, 3, 3,
|
|
1387
|
+
3, 4, 3, 3, 5, 3, 3, 4, 4, 4, 3, 3, 3, 4, 3, 4, 3, 4, 2, 2, 4, 4,
|
|
1388
|
+
4, 4, 3, 5, 4, 3, 3, 3, 5, 3, 3, 4, 3, 4, 4, 3, 3, 3, 3, 4, 3, 2,
|
|
1389
|
+
4, 3, 4, 3, 4, 4, 2, 4, 3, 4, 4, 3, 2, 5, 4, 4, 4, 2, 2, 4, 4, 4,
|
|
1390
|
+
3, 4, 3, 3, 3, 3, 4, 3, 5, 4, 3, 3, 3, 4, 4, 2, 3, 2, 2, 2, 5, 3,
|
|
1391
|
+
3, 4, 3, 4, 3, 3, 4, 5, 5, 4, 2, 2, 4, 5, 5, 2, 4, 4, 5, 2, 5, 4,
|
|
1392
|
+
4, 3, 3, 4, 3, 3, 5, 3, 3, 4, 3, 3, 4, 4, 3, 5, 4, 5, 2, 4, 3, 4,
|
|
1393
|
+
3, 3, 3, 3, 6, 4, 5, 3, 3, 4, 4, 3, 4, 2, 4, 3, 4, 4, 3, 3, 3, 5,
|
|
1394
|
+
3, 3, 4, 2, 4, 4, 4, 3, 3, 3, 4, 3, 5, 3, 3, 5, 2, 4, 3, 4, 4, 3,
|
|
1395
|
+
4, 3, 4, 2, 4, 3, 4, 4, 5, 2, 4, 5, 4, 3, 4, 3, 4, 3, 4, 3, 3, 3,
|
|
1396
|
+
4, 4, 3, 4, 2, 4, 3, 4, 4, 3, 3, 3, 4, 3, 4, 4, 3, 4, 4, 5, 4, 3,
|
|
1397
|
+
4, 3, 4, 3, 4, 4, 5, 3, 4, 4, 4, 3, 5, 4, 4, 5, 3, 5, 4, 4, 2, 3,
|
|
1398
|
+
3, 3, 3, 3, 2, 4, 3, 4, 4, 5, 3, 3, 5, 3, 3, 3, 4, 4, 5, 4, 3, 4,
|
|
1399
|
+
4, 4, 3, 3, 2, 3, 5, 3, 4, 5, 3, 5, 4, 5, 3, 4, 4, 4, 4, 4, 4, 4,
|
|
1400
|
+
3, 3, 4, 4, 3, 3, 4, 4, 3, 3, 3, 2, 3, 4, 4, 3, 4, 4, 4, 4, 4, 3,
|
|
1401
|
+
3, 3, 2, 4, 3, 5, 4, 5, 4, 4, 3, 3, 4, 3, 4, 3, 4, 3, 2, 4, 4, 4,
|
|
1402
|
+
3, 3, 6, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 3, 3, 2, 5, 4, 4, 3, 3,
|
|
1403
|
+
2, 5, 4, 5, 4, 5, 4, 4, 4, 4, 4, 3], dtype=uint64)
|
|
1404
|
+
"""
|
|
1405
|
+
...
|
|
1406
|
+
|
|
1407
|
+
|
|
1408
|
+
def bond_angle_distribution(atoms: Atoms, r_cut: float,
|
|
1409
|
+
n_bins: int, filter: Optional[fastatomstruct.Filter] = None) -> NDArray:
|
|
1410
|
+
"""Distribution of bond angles.
|
|
1411
|
+
|
|
1412
|
+
Arguments:
|
|
1413
|
+
atoms (ase.Atoms): Atoms object from ASE
|
|
1414
|
+
r_cut (float): cutoff radius
|
|
1415
|
+
n_bins (int): Number of bins for the bond angle histogram
|
|
1416
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
1417
|
+
|
|
1418
|
+
Returns:
|
|
1419
|
+
Two 1D arrays of length n_bins containing the bond angles and histogram of bond angles.
|
|
1420
|
+
|
|
1421
|
+
Examples
|
|
1422
|
+
--------
|
|
1423
|
+
|
|
1424
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
1425
|
+
|
|
1426
|
+
>>> import fastatomstruct as fs
|
|
1427
|
+
>>> from ase import io
|
|
1428
|
+
>>> atoms = io.read("Sb540.traj")
|
|
1429
|
+
>>> fs.bond_angle_distribution(atoms, 3.2, 180)
|
|
1430
|
+
(array([ 0., 1., 2., 3., 4., 5., 6., 7., 8., 9., 10.,
|
|
1431
|
+
11., 12., 13., 14., 15., 16., 17., 18., 19., 20., 21.,
|
|
1432
|
+
22., 23., 24., 25., 26., 27., 28., 29., 30., 31., 32.,
|
|
1433
|
+
33., 34., 35., 36., 37., 38., 39., 40., 41., 42., 43.,
|
|
1434
|
+
44., 45., 46., 47., 48., 49., 50., 51., 52., 53., 54.,
|
|
1435
|
+
55., 56., 57., 58., 59., 60., 61., 62., 63., 64., 65.,
|
|
1436
|
+
66., 67., 68., 69., 70., 71., 72., 73., 74., 75., 76.,
|
|
1437
|
+
77., 78., 79., 80., 81., 82., 83., 84., 85., 86., 87.,
|
|
1438
|
+
88., 89., 90., 91., 92., 93., 94., 95., 96., 97., 98.,
|
|
1439
|
+
99., 100., 101., 102., 103., 104., 105., 106., 107., 108., 109.,
|
|
1440
|
+
110., 111., 112., 113., 114., 115., 116., 117., 118., 119., 120.,
|
|
1441
|
+
121., 122., 123., 124., 125., 126., 127., 128., 129., 130., 131.,
|
|
1442
|
+
132., 133., 134., 135., 136., 137., 138., 139., 140., 141., 142.,
|
|
1443
|
+
143., 144., 145., 146., 147., 148., 149., 150., 151., 152., 153.,
|
|
1444
|
+
154., 155., 156., 157., 158., 159., 160., 161., 162., 163., 164.,
|
|
1445
|
+
165., 166., 167., 168., 169., 170., 171., 172., 173., 174., 175.,
|
|
1446
|
+
176., 177., 178., 179.]),
|
|
1447
|
+
array([ 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.,
|
|
1448
|
+
0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.,
|
|
1449
|
+
0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.,
|
|
1450
|
+
0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.,
|
|
1451
|
+
0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.,
|
|
1452
|
+
0., 0., 0., 0., 0., 0., 0., 2., 2., 0., 0.,
|
|
1453
|
+
0., 0., 0., 0., 0., 0., 4., 4., 2., 4., 12.,
|
|
1454
|
+
6., 12., 24., 36., 40., 60., 72., 142., 138., 156., 210.,
|
|
1455
|
+
...
|
|
1456
|
+
0., 0., 0., 0., 0., 0., 0., 2., 0., 0., 4.,
|
|
1457
|
+
0., 2., 0., 4., 0., 0., 0., 0., 2., 6., 2.,
|
|
1458
|
+
4., 8., 4., 6., 6., 10., 4., 8., 26., 26., 42.,
|
|
1459
|
+
50., 38., 48., 56., 52., 56., 52., 76., 50., 50., 40.,
|
|
1460
|
+
36., 16., 10., 4.]))
|
|
1461
|
+
"""
|
|
1462
|
+
...
|
|
1463
|
+
|
|
1464
|
+
|
|
1465
|
+
def radial_distribution_function(atoms: Atoms, r_max: float,
|
|
1466
|
+
n_bins: int, filter: Optional[fastatomstruct.Filter] = None) -> Tuple[NDArray, NDArray]:
|
|
1467
|
+
"""Radial distribution function (RDF).
|
|
1468
|
+
|
|
1469
|
+
Estimated using a rectangular window function. The RDF is defined as
|
|
1470
|
+
|
|
1471
|
+
.. math::
|
|
1472
|
+
|
|
1473
|
+
g(r) = \frac{d n_r}{4 \pi \rho r^2 dr}.
|
|
1474
|
+
|
|
1475
|
+
Arguments:
|
|
1476
|
+
atoms (ase.Atoms): Atoms object from ASE or list of Atoms objects
|
|
1477
|
+
r_max (float): Maximum radius for the RDF computation
|
|
1478
|
+
n_bins (int): Number of bins
|
|
1479
|
+
filter (fastatomstruct.Filter): Filter instance
|
|
1480
|
+
|
|
1481
|
+
Returns:
|
|
1482
|
+
(1D array of length n_bins containing the radii, 1D array of length n_bins containing the RDF)
|
|
1483
|
+
|
|
1484
|
+
Examples
|
|
1485
|
+
--------
|
|
1486
|
+
|
|
1487
|
+
The exemplary file "Sb540.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb540.traj>`_.
|
|
1488
|
+
|
|
1489
|
+
>>> import fastatomstruct as fs
|
|
1490
|
+
>>> from ase import io
|
|
1491
|
+
>>> atoms = io.read("Sb540.traj")
|
|
1492
|
+
>>> fs.radial_distribution_function(atoms, 10, 100)
|
|
1493
|
+
(array([0. , 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1. , 1.1, 1.2,
|
|
1494
|
+
1.3, 1.4, 1.5, 1.6, 1.7, 1.8, 1.9, 2. , 2.1, 2.2, 2.3, 2.4, 2.5,
|
|
1495
|
+
2.6, 2.7, 2.8, 2.9, 3. , 3.1, 3.2, 3.3, 3.4, 3.5, 3.6, 3.7, 3.8,
|
|
1496
|
+
3.9, 4. , 4.1, 4.2, 4.3, 4.4, 4.5, 4.6, 4.7, 4.8, 4.9, 5. , 5.1,
|
|
1497
|
+
5.2, 5.3, 5.4, 5.5, 5.6, 5.7, 5.8, 5.9, 6. , 6.1, 6.2, 6.3, 6.4,
|
|
1498
|
+
6.5, 6.6, 6.7, 6.8, 6.9, 7. , 7.1, 7.2, 7.3, 7.4, 7.5, 7.6, 7.7,
|
|
1499
|
+
7.8, 7.9, 8. , 8.1, 8.2, 8.3, 8.4, 8.5, 8.6, 8.7, 8.8, 8.9, 9. ,
|
|
1500
|
+
9.1, 9.2, 9.3, 9.4, 9.5, 9.6, 9.7, 9.8, 9.9]), array([ nan, 0. , 0. , 0. , 0. ,
|
|
1501
|
+
0. , 0. , 0. , 0. , 0. ,
|
|
1502
|
+
0. , 0. , 0. , 0. , 0. ,
|
|
1503
|
+
0. , 0. , 0. , 0. , 0. ,
|
|
1504
|
+
0. , 0. , 0. , 0. , 0. ,
|
|
1505
|
+
0. , 0.01357761, 0.13849533, 1.35803798, 2.55381745,
|
|
1506
|
+
3.11047932, 2.85573424, 1.90022878, 1.50024473, 1.06393955,
|
|
1507
|
+
0.53946888, 0.31869665, 0.26147559, 0.20975713, 0.46465595,
|
|
1508
|
+
0.69412131, 1.1903064 , 1.83673335, 2.37776314, 2.71655972,
|
|
1509
|
+
2.17563581, 1.52251451, 1.07615304, 0.66129555, 0.47402311,
|
|
1510
|
+
0.52500812, 0.68106246, 0.80447332, 0.85609023, 0.97261497,
|
|
1511
|
+
0.78282433, 0.5853612 , 0.52827722, 0.35742531, 0.40341997,
|
|
1512
|
+
0.51246422, 0.73013309, 0.97897244, 0.98282868, 0.8067009 ,
|
|
1513
|
+
0.83203587, 0.90815376, 1.24724054, 1.54231535, 1.71963653,
|
|
1514
|
+
1.68396709, 1.66781841, 1.47308674, 1.37444435, 1.47666662,
|
|
1515
|
+
1.45060517, 1.42698412, 1.45517891, 1.22349342, 0.99270356,
|
|
1516
|
+
0.68408236, 0.49522574, 0.36855817, 0.33841338, 0.35511913,
|
|
1517
|
+
0.41287206, 0.55721067, 0.63542276, 0.75380977, 0.82271293,
|
|
1518
|
+
0.98696812, 0.97537108, 1.08549646, 1.19705248, 1.21846285,
|
|
1519
|
+
1.19599703, 1.29171737, 1.34423667, 1.40868964, 1.46559489]))
|
|
1520
|
+
"""
|
|
1521
|
+
|
|
1522
|
+
|
|
1523
|
+
def mean_squared_displacement_single(atoms: List[Atoms], timestep: float) -> NDArray:
|
|
1524
|
+
"""Mean squared displacement (MSD) without temporal averaging.
|
|
1525
|
+
|
|
1526
|
+
The (non-averaged) MSD is defined as
|
|
1527
|
+
|
|
1528
|
+
.. math::
|
|
1529
|
+
|
|
1530
|
+
\mathrm{MSD} = \langle |\vec{x}(t) - \vec{x}(t_0)|^2 \rangle = \frac{1}{N} \sum_{i = 1}^N |\vec{x}^i(t) - \vec{x}^i(t_0)|^2.
|
|
1531
|
+
|
|
1532
|
+
Arguments:
|
|
1533
|
+
atoms (List[ase.Atoms]): List of Atoms objects from ASE
|
|
1534
|
+
timestep (float): Time step of the input trajectory (in fs)
|
|
1535
|
+
|
|
1536
|
+
Returns:
|
|
1537
|
+
Two 1D arrays containing time and the MSD
|
|
1538
|
+
|
|
1539
|
+
Examples
|
|
1540
|
+
--------
|
|
1541
|
+
|
|
1542
|
+
The exemplary file "Sb-1.00-300-100.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb-1.00-300-100.traj>`_.
|
|
1543
|
+
|
|
1544
|
+
>>> import fastatomstruct as fs
|
|
1545
|
+
>>> from ase import io
|
|
1546
|
+
>>> atoms = io.read("Sb-1.00-300-100.traj", index=":")
|
|
1547
|
+
>>> fs.mean_squared_displacement_single(atoms, 2)
|
|
1548
|
+
(array([0.00000000e+00, 2.00000000e+00, 4.50000000e+00, 7.62500000e+00,
|
|
1549
|
+
1.15312500e+01, 1.64140625e+01, 2.25175781e+01, 3.01469727e+01,
|
|
1550
|
+
3.96837158e+01, 5.16046448e+01, 6.65058060e+01, 8.51322575e+01,
|
|
1551
|
+
1.08415322e+02, 1.37519152e+02, 1.73898940e+02, 2.19373675e+02,
|
|
1552
|
+
2.76217094e+02, 3.47271368e+02, 4.36089210e+02, 5.47111512e+02,
|
|
1553
|
+
6.85889390e+02, 8.59361738e+02, 1.07620217e+03, 1.34725272e+03,
|
|
1554
|
+
1.68606589e+03, 2.10958237e+03]), array([0. , 0.08570729, 0.14451626, 0.17254087, 0.18339419,
|
|
1555
|
+
0.18973448, 0.22214894, 0.2472062 , 0.23734063, 0.26985745,
|
|
1556
|
+
0.30982666, 0.33184891, 0.33978547, 0.38758629, 0.4960587 ,
|
|
1557
|
+
0.56526925, 0.69970379, 0.84905888, 0.72705065, 0.83070123,
|
|
1558
|
+
0.97334769, 1.25106927, 1.58822374, 1.89869893, 2.01082199,
|
|
1559
|
+
2.03046029]))
|
|
1560
|
+
"""
|
|
1561
|
+
|
|
1562
|
+
|
|
1563
|
+
def squared_displacement_single(atoms: List[Atoms], timestep: float) -> NDArray:
|
|
1564
|
+
"""Squared displacement (SD) for each atom without temporal averaging.
|
|
1565
|
+
|
|
1566
|
+
The (non-averaged) SD is defined as
|
|
1567
|
+
|
|
1568
|
+
.. math::
|
|
1569
|
+
|
|
1570
|
+
\mathrm{SD}_i = |\vec{x}^i(t) - \vec{x}^i(t_0)|^2 = |\vec{x}^i(t) - \vec{x}^i(t_0)|^2.
|
|
1571
|
+
|
|
1572
|
+
Arguments:
|
|
1573
|
+
atoms (List[ase.Atoms]): List of Atoms objects from ASE
|
|
1574
|
+
timestep (float): Time step of the input trajectory (in fs)
|
|
1575
|
+
|
|
1576
|
+
Returns:
|
|
1577
|
+
1D array of length n_times containing the times, 2D array of shape (n_atoms, n_times) containing the SD
|
|
1578
|
+
|
|
1579
|
+
Examples
|
|
1580
|
+
--------
|
|
1581
|
+
|
|
1582
|
+
The exemplary file "Sb-1.00-300-100.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb-1.00-300-100.traj>`_.
|
|
1583
|
+
|
|
1584
|
+
>>> import fastatomstruct as fs
|
|
1585
|
+
>>> from ase import io
|
|
1586
|
+
>>> atoms = io.read("Sb-1.00-300-100.traj", index=":")
|
|
1587
|
+
>>> fs.squared_displacement_single(atoms, 2)
|
|
1588
|
+
(array([0.00000000e+00, 2.00000000e+00, 4.50000000e+00, 7.62500000e+00,
|
|
1589
|
+
1.15312500e+01, 1.64140625e+01, 2.25175781e+01, 3.01469727e+01,
|
|
1590
|
+
3.96837158e+01, 5.16046448e+01, 6.65058060e+01, 8.51322575e+01,
|
|
1591
|
+
1.08415322e+02, 1.37519152e+02, 1.73898940e+02, 2.19373675e+02,
|
|
1592
|
+
2.76217094e+02, 3.47271368e+02, 4.36089210e+02, 5.47111512e+02,
|
|
1593
|
+
6.85889390e+02, 8.59361738e+02, 1.07620217e+03, 1.34725272e+03,
|
|
1594
|
+
1.68606589e+03, 2.10958237e+03]), array([[0. , 0.01527723, 0.04965418, ..., 0.30716283, 0.74459351,
|
|
1595
|
+
0.93403832],
|
|
1596
|
+
[0. , 0.10336262, 0.12957674, ..., 1.56028193, 0.69138778,
|
|
1597
|
+
1.92792858],
|
|
1598
|
+
[0. , 0.02684147, 0.017915 , ..., 0.95177762, 0.65267762,
|
|
1599
|
+
2.02677489],
|
|
1600
|
+
...,
|
|
1601
|
+
[0. , 0.09875333, 0.20993371, ..., 0.35825702, 0.41746509,
|
|
1602
|
+
0.29975324],
|
|
1603
|
+
[0. , 0.01581711, 0.21283568, ..., 0.21601321, 0.63707872,
|
|
1604
|
+
0.48397539],
|
|
1605
|
+
[0. , 0.06138846, 0.47158164, ..., 0.32970027, 0.18566879,
|
|
1606
|
+
0.40088013]]))
|
|
1607
|
+
"""
|
|
1608
|
+
...
|
|
1609
|
+
|
|
1610
|
+
|
|
1611
|
+
def non_gaussian_alpha2(atoms: List[Atoms]) -> NDArray:
|
|
1612
|
+
"""(Temporally averaged) non-Gaussian parameter.
|
|
1613
|
+
|
|
1614
|
+
It is defined as
|
|
1615
|
+
|
|
1616
|
+
.. math::
|
|
1617
|
+
|
|
1618
|
+
\alpha_2(t) = \left\langle \frac{3}{5} \frac{\sum_{i = 1}^N |\vec{x}^i(t) - \vec{x}^i(t_0)|^4}{(\sum_{i = 1}^N |\vec{x}^i(t) - \vec{x}^i(t_0)|^2)^2} \right\rangle_{t_0},
|
|
1619
|
+
|
|
1620
|
+
and can be used to identify non-Gaussian behaviour in molecular dynamics.
|
|
1621
|
+
|
|
1622
|
+
Arguments:
|
|
1623
|
+
atoms (List[ase.Atoms]): List of Atoms objects from ASE
|
|
1624
|
+
timestep (float): Time step of the input trajectory (in fs)
|
|
1625
|
+
|
|
1626
|
+
Returns:
|
|
1627
|
+
Two 1D arrays containing the times and the non-Gaussian parameter
|
|
1628
|
+
|
|
1629
|
+
Examples
|
|
1630
|
+
--------
|
|
1631
|
+
|
|
1632
|
+
The exemplary file "Sb-1.00-300-100.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb-1.00-300-100.traj>`_.
|
|
1633
|
+
|
|
1634
|
+
>>> import fastatomstruct as fs
|
|
1635
|
+
>>> from ase import io
|
|
1636
|
+
>>> atoms = io.read("Sb-1.00-300-100.traj", index=":")
|
|
1637
|
+
>>> fs.non_gaussian_alpha2(atoms, 2)
|
|
1638
|
+
(array([0.00000000e+00, 2.00000000e+00, 4.50000000e+00, 7.62500000e+00,
|
|
1639
|
+
1.15312500e+01, 1.64140625e+01, 2.25175781e+01, 3.01469727e+01,
|
|
1640
|
+
3.96837158e+01, 5.16046448e+01, 6.65058060e+01, 8.51322575e+01,
|
|
1641
|
+
1.08415322e+02, 1.37519152e+02, 1.73898940e+02, 2.19373675e+02,
|
|
1642
|
+
2.76217094e+02, 3.47271368e+02, 4.36089210e+02, 5.47111512e+02,
|
|
1643
|
+
6.85889390e+02, 8.59361738e+02, 1.07620217e+03, 1.34725272e+03,
|
|
1644
|
+
1.68606589e+03, 2.10958237e+03]), array([0. , 0.05451509, 0.05746702, 0.03857166, 0.0436452 ,
|
|
1645
|
+
0.13699174, 0.18596818, 0.13470472, 0.12885145, 0.15707456,
|
|
1646
|
+
0.18798212, 0.1485821 , 0.21675234, 0.37810897, 0.30411076,
|
|
1647
|
+
0.26653256, 0.18371315, 0.22608079, 0.40846979, 0.29919836,
|
|
1648
|
+
0.29243173, 0.36112955, 0.22192952, 0.21543669, 0.45339333,
|
|
1649
|
+
0.511548 ]))
|
|
1650
|
+
"""
|
|
1651
|
+
...
|
|
1652
|
+
|
|
1653
|
+
|
|
1654
|
+
def non_gaussian_alpha2_single(atoms: List[Atoms], timestep: float) -> NDArray:
|
|
1655
|
+
"""(Non-averaged) non-Gaussian parameter.
|
|
1656
|
+
|
|
1657
|
+
It is defined as
|
|
1658
|
+
|
|
1659
|
+
.. math::
|
|
1660
|
+
|
|
1661
|
+
\alpha_2(t) = \frac{3}{5} \frac{\sum_{i = 1}^N |\vec{x}^i(t) - \vec{x}^i(t_0)|^4}{(\sum_{i = 1}^N |\vec{x}^i(t) - \vec{x}^i(t_0)|^2)^2},
|
|
1662
|
+
|
|
1663
|
+
and can be used to identify non-Gaussian behaviour in molecular dynamics.
|
|
1664
|
+
|
|
1665
|
+
Arguments:
|
|
1666
|
+
atoms (List[ase.Atoms]): List of Atoms objects from ASE
|
|
1667
|
+
timestep (float): Time step of the input trajectory (in fs)
|
|
1668
|
+
|
|
1669
|
+
Returns:
|
|
1670
|
+
1D array of times, 2D array of shape (n_atoms, n_times) containing the non-Gaussian
|
|
1671
|
+
parameter each time and atom
|
|
1672
|
+
|
|
1673
|
+
Examples
|
|
1674
|
+
--------
|
|
1675
|
+
|
|
1676
|
+
The exemplary file "Sb-1.00-300-100.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb-1.00-300-100.traj>`_.
|
|
1677
|
+
|
|
1678
|
+
>>> import fastatomstruct as fs
|
|
1679
|
+
>>> from ase import io
|
|
1680
|
+
>>> atoms = io.read("Sb-1.00-300-100.traj", index=":")
|
|
1681
|
+
>>> fs.non_gaussian_alpha2_single(atoms, 2)
|
|
1682
|
+
(array([0.00000000e+00, 2.00000000e+00, 4.50000000e+00, 7.62500000e+00,
|
|
1683
|
+
1.15312500e+01, 1.64140625e+01, 2.25175781e+01, 3.01469727e+01,
|
|
1684
|
+
3.96837158e+01, 5.16046448e+01, 6.65058060e+01, 8.51322575e+01,
|
|
1685
|
+
1.08415322e+02, 1.37519152e+02, 1.73898940e+02, 2.19373675e+02,
|
|
1686
|
+
2.76217094e+02, 3.47271368e+02, 4.36089210e+02, 5.47111512e+02,
|
|
1687
|
+
6.85889390e+02, 8.59361738e+02, 1.07620217e+03, 1.34725272e+03,
|
|
1688
|
+
1.68606589e+03, 2.10958237e+03]), array([ nan, 0.05451509, 0.08587094, 0.09528725, 0.16900584,
|
|
1689
|
+
0.44242745, 0.50440087, 0.34962665, 0.26894454, 0.51749794,
|
|
1690
|
+
0.45986851, 0.38946558, 0.3658462 , 0.49804137, 0.38984063,
|
|
1691
|
+
0.35371946, 0.25276157, 0.1813512 , 0.47461673, 0.30959159,
|
|
1692
|
+
0.24564468, 0.24307653, 0.15243596, 0.02262402, 0.06824235,
|
|
1693
|
+
0.1051412 ]))
|
|
1694
|
+
"""
|
|
1695
|
+
...
|
|
1696
|
+
|
|
1697
|
+
|
|
1698
|
+
def overlap_q(atoms: List[Atoms], a: float, timestep: float) -> Tuple[NDArray, NDArray, NDArray, NDArray]:
|
|
1699
|
+
"""Time-averaged overlap parameter.
|
|
1700
|
+
|
|
1701
|
+
It is defined as
|
|
1702
|
+
|
|
1703
|
+
.. math::
|
|
1704
|
+
|
|
1705
|
+
Q(t) = \left\langle \sum_{i, j = 1}^N w(|\vec{r}_i(t_0) - \vec{r}_j(t)|) \right\rangle_{t_0}
|
|
1706
|
+
|
|
1707
|
+
(see Lacevic et al., "Spatially heterogeneous dynamics investigated via a time-dependent four-point density correlation function").
|
|
1708
|
+
Here, :math:`w(x)` is an "overlap" function that is one for :math:`x \leq a` and zero otherwise.
|
|
1709
|
+
The overlap parameter can be split into a self-part
|
|
1710
|
+
|
|
1711
|
+
.. math::
|
|
1712
|
+
|
|
1713
|
+
Q_\mathrm{s}(t) = \left\langle \sum_{i = 1}^N w(|\vec{r}_i(0) - \vec{r}_i(t)|) \right\rangle_{t_0}
|
|
1714
|
+
|
|
1715
|
+
and a distinct part
|
|
1716
|
+
|
|
1717
|
+
.. math::
|
|
1718
|
+
|
|
1719
|
+
Q_\mathrm{d}(t) = \left\langle \sum_{i, j = 1, i \neq j}^N w(|\vec{r}_i(0) - \vec{r}_j(t)|) \right\rangle_{t_0}.
|
|
1720
|
+
|
|
1721
|
+
Time is sampled on a logarithmic scale. The resuting array of times is returned (first array).
|
|
1722
|
+
|
|
1723
|
+
Arguments:
|
|
1724
|
+
atoms (List[ase.Atoms]): List of Atoms objects from ASE
|
|
1725
|
+
a (float): Cutoff for the overlap function
|
|
1726
|
+
timestep (float): Time step of the input trajectory (in fs)
|
|
1727
|
+
|
|
1728
|
+
Returns:
|
|
1729
|
+
Four arrays of length n_times (time, full q, self part, distinct part)
|
|
1730
|
+
|
|
1731
|
+
Examples
|
|
1732
|
+
--------
|
|
1733
|
+
|
|
1734
|
+
The exemplary file "Sb-1.00-300-100.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb-1.00-300-100.traj>`_.
|
|
1735
|
+
|
|
1736
|
+
>>> import fastatomstruct as fs
|
|
1737
|
+
>>> from ase import io
|
|
1738
|
+
>>> atoms = io.read("Sb-1.00-300-100.traj", index=":")
|
|
1739
|
+
>>> fs.overlap_q(atoms, 2, 200)
|
|
1740
|
+
(array([0.00000000e+00, 2.00000000e+02, 4.50000000e+02, 7.62500000e+02,
|
|
1741
|
+
1.15312500e+03, 1.64140625e+03, 2.25175781e+03, 3.01469727e+03,
|
|
1742
|
+
3.96837158e+03, 5.16046448e+03, 6.65058060e+03, 8.51322575e+03,
|
|
1743
|
+
1.08415322e+04, 1.37519152e+04, 1.73898940e+04, 2.19373675e+04,
|
|
1744
|
+
2.76217094e+04, 3.47271368e+04, 4.36089210e+04, 5.47111512e+04,
|
|
1745
|
+
6.85889390e+04, 8.59361738e+04, 1.07620217e+05, 1.34725272e+05,
|
|
1746
|
+
1.68606589e+05, 2.10958237e+05]), array([ 0. , 728. , 728. , 728. ,
|
|
1747
|
+
728. , 728.33333333, 728.22222222, 728.41666667,
|
|
1748
|
+
728.8125 , 728.42857143, 728.96428571, 729.81081081,
|
|
1749
|
+
729.22916667, 730.14516129, 734.1125 , 733.65686275,
|
|
1750
|
+
738.43076923, 745.56363636, 742.38755981, 744.89015152,
|
|
1751
|
+
745.996997 , 749.01431981, 758.91461101, 770.95468278,
|
|
1752
|
+
773.55354994, 765.79654511]), array([ 0. , 728. , 728. , 728. ,
|
|
1753
|
+
728. , 728. , 728. , 728. ,
|
|
1754
|
+
728. , 727.95238095, 727.92857143, 727.97297297,
|
|
1755
|
+
727.97916667, 727.08064516, 726.9375 , 726.23529412,
|
|
1756
|
+
725.54615385, 723.93939394, 723.71291866, 723.51515152,
|
|
1757
|
+
722.92192192, 717.01193317, 713.38519924, 709.77492447,
|
|
1758
|
+
706.20336943, 701.01535509]), array([ 0. , 0. , 0. , 0. , 0. ,
|
|
1759
|
+
0.33333333, 0.22222222, 0.41666667, 0.8125 , 0.47619048,
|
|
1760
|
+
1.03571429, 1.83783784, 1.25 , 3.06451613, 7.175 ,
|
|
1761
|
+
7.42156863, 12.88461538, 21.62424242, 18.67464115, 21.375 ,
|
|
1762
|
+
23.07507508, 32.00238663, 45.52941176, 61.17975831, 67.35018051,
|
|
1763
|
+
64.78119002]))
|
|
1764
|
+
"""
|
|
1765
|
+
...
|
|
1766
|
+
|
|
1767
|
+
|
|
1768
|
+
def overlap_q_self(atoms: List[Atoms], a: float, timestep: float) -> Tuple[NDArray, NDArray]:
|
|
1769
|
+
"""Self part of the overlap parameter.
|
|
1770
|
+
|
|
1771
|
+
It is defined as
|
|
1772
|
+
|
|
1773
|
+
.. math::
|
|
1774
|
+
|
|
1775
|
+
Q_\mathrm{s}(t) = \left\langle \sum_{i = 1}^N w(|\vec{r}_i(0) - \vec{r}_i(t)|) \right\rangle_{t_0},
|
|
1776
|
+
|
|
1777
|
+
where :math:`w(x)` is an "overlap" function that is one for :math:`x \leq a` and zero otherwise.
|
|
1778
|
+
|
|
1779
|
+
Time is sampled on a logarithmic scale. The resuting array of times is returned (first array).
|
|
1780
|
+
|
|
1781
|
+
Arguments:
|
|
1782
|
+
atoms (List[ase.Atoms]): List of Atoms objects from ASE
|
|
1783
|
+
a (float): Cutoff for the overlap function
|
|
1784
|
+
timestep (float): Time step of the input trajectory (in fs)
|
|
1785
|
+
|
|
1786
|
+
Returns:
|
|
1787
|
+
Two arrays of length n_times containing the self part of the overlap parameter (time, self part)
|
|
1788
|
+
|
|
1789
|
+
Examples
|
|
1790
|
+
--------
|
|
1791
|
+
|
|
1792
|
+
The exemplary file "Sb-1.00-300-100.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb-1.00-300-100.traj>`_.
|
|
1793
|
+
|
|
1794
|
+
>>> import fastatomstruct as fs
|
|
1795
|
+
>>> from ase import io
|
|
1796
|
+
>>> atoms = io.read("Sb-1.00-300-100.traj", index=":")
|
|
1797
|
+
>>> fs.overlap_q_self(atoms, 2, 200)
|
|
1798
|
+
(array([0.00000000e+00, 2.00000000e+02, 4.50000000e+02, 7.62500000e+02,
|
|
1799
|
+
1.15312500e+03, 1.64140625e+03, 2.25175781e+03, 3.01469727e+03,
|
|
1800
|
+
3.96837158e+03, 5.16046448e+03, 6.65058060e+03, 8.51322575e+03,
|
|
1801
|
+
1.08415322e+04, 1.37519152e+04, 1.73898940e+04, 2.19373675e+04,
|
|
1802
|
+
2.76217094e+04, 3.47271368e+04, 4.36089210e+04, 5.47111512e+04,
|
|
1803
|
+
6.85889390e+04, 8.59361738e+04, 1.07620217e+05, 1.34725272e+05,
|
|
1804
|
+
1.68606589e+05, 2.10958237e+05]), array([ 0. , 728. , 728. , 728. ,
|
|
1805
|
+
728. , 728. , 728. , 728. ,
|
|
1806
|
+
728. , 727.95238095, 727.92857143, 727.97297297,
|
|
1807
|
+
727.97916667, 727.08064516, 726.9375 , 726.23529412,
|
|
1808
|
+
725.54615385, 723.93939394, 723.71291866, 723.51515152,
|
|
1809
|
+
722.92192192, 717.01193317, 713.38519924, 709.77492447,
|
|
1810
|
+
706.20336943, 701.01535509]))
|
|
1811
|
+
"""
|
|
1812
|
+
...
|
|
1813
|
+
|
|
1814
|
+
|
|
1815
|
+
def overlap_q_self_atomic(atoms: List[Atoms], a: float) -> NDArray:
|
|
1816
|
+
"""Self part of the overlap parameter for each individual atom.
|
|
1817
|
+
|
|
1818
|
+
It is defined as
|
|
1819
|
+
|
|
1820
|
+
.. math::
|
|
1821
|
+
|
|
1822
|
+
Q_\mathrm{s}(i, t) = \left\langle w(|\vec{r}_i(0) - \vec{r}_i(t)|) \right\rangle_{t_0},
|
|
1823
|
+
|
|
1824
|
+
where :math:`w(x)` is an "overlap" function that is one for :math:`x \leq a` and zero otherwise.
|
|
1825
|
+
|
|
1826
|
+
Arguments:
|
|
1827
|
+
atoms (List[ase.Atoms]): List of Atoms objects from ASE
|
|
1828
|
+
a (float): Cutoff for the overlap function
|
|
1829
|
+
|
|
1830
|
+
Returns:
|
|
1831
|
+
Array of shape n_times and array of shape (n_atoms, n_times) containing the time and the self part of the overlap parameter
|
|
1832
|
+
|
|
1833
|
+
Examples
|
|
1834
|
+
--------
|
|
1835
|
+
|
|
1836
|
+
The exemplary file "Sb-1.00-300-100.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb-1.00-300-100.traj>`_.
|
|
1837
|
+
|
|
1838
|
+
>>> import fastatomstruct as fs
|
|
1839
|
+
>>> from ase import io
|
|
1840
|
+
>>> atoms = io.read("Sb-1.00-300-100.traj", index=":")
|
|
1841
|
+
>>> fs.overlap_q_self_atomic(atoms, 2)
|
|
1842
|
+
array([[0. , 1. , 1. , ..., 1. , 1. ,
|
|
1843
|
+
1. ],
|
|
1844
|
+
[0. , 1. , 1. , ..., 1. , 1. ,
|
|
1845
|
+
0.99906716],
|
|
1846
|
+
[0. , 1. , 1. , ..., 1. , 1. ,
|
|
1847
|
+
1. ],
|
|
1848
|
+
...,
|
|
1849
|
+
[0. , 1. , 1. , ..., 1. , 1. ,
|
|
1850
|
+
1. ],
|
|
1851
|
+
[0. , 1. , 1. , ..., 1. , 1. ,
|
|
1852
|
+
1. ],
|
|
1853
|
+
[0. , 1. , 1. , ..., 0.98878505, 1. ,
|
|
1854
|
+
0.9869403 ]])
|
|
1855
|
+
"""
|
|
1856
|
+
...
|
|
1857
|
+
|
|
1858
|
+
|
|
1859
|
+
def overlap_q_distinct(atoms: List[Atoms], a: float, timestep: float) -> Tuple[NDArray, NDArray]:
|
|
1860
|
+
"""Distinct part of the overlap parameter.
|
|
1861
|
+
|
|
1862
|
+
It is defined as
|
|
1863
|
+
|
|
1864
|
+
.. math::
|
|
1865
|
+
|
|
1866
|
+
Q_\mathrm{d}(t) = \left\langle \sum_{i, j = 1, i \neq j}^N w(|\vec{r}_i(0) - \vec{r}_j(t)|) \right\rangle_{t_0},
|
|
1867
|
+
|
|
1868
|
+
where :math:`w(x)` is an "overlap" function that is one for :math:`x \leq a` and zero otherwise.
|
|
1869
|
+
|
|
1870
|
+
Arguments:
|
|
1871
|
+
atoms (List[ase.Atoms]): List of Atoms objects from ASE
|
|
1872
|
+
a (float): Cutoff for the overlap function
|
|
1873
|
+
timestep (float): Time step of the input trajectory (in fs)
|
|
1874
|
+
|
|
1875
|
+
Returns:
|
|
1876
|
+
Two arrays of length n_times containing the time and the distinct part of the overlap parameter
|
|
1877
|
+
|
|
1878
|
+
Examples
|
|
1879
|
+
--------
|
|
1880
|
+
|
|
1881
|
+
The exemplary file "Sb-1.00-300-100.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb-1.00-300-100.traj>`_.
|
|
1882
|
+
|
|
1883
|
+
>>> import fastatomstruct as fs
|
|
1884
|
+
>>> from ase import io
|
|
1885
|
+
>>> atoms = io.read("Sb-1.00-300-100.traj", index=":")
|
|
1886
|
+
>>> fs.overlap_q_distinct(atoms, 2, 200)
|
|
1887
|
+
(array([0.00000000e+00, 2.00000000e+02, 4.50000000e+02, 7.62500000e+02,
|
|
1888
|
+
1.15312500e+03, 1.64140625e+03, 2.25175781e+03, 3.01469727e+03,
|
|
1889
|
+
3.96837158e+03, 5.16046448e+03, 6.65058060e+03, 8.51322575e+03,
|
|
1890
|
+
1.08415322e+04, 1.37519152e+04, 1.73898940e+04, 2.19373675e+04,
|
|
1891
|
+
2.76217094e+04, 3.47271368e+04, 4.36089210e+04, 5.47111512e+04,
|
|
1892
|
+
6.85889390e+04, 8.59361738e+04, 1.07620217e+05, 1.34725272e+05,
|
|
1893
|
+
1.68606589e+05, 2.10958237e+05]), array([ 0. , 0. , 0. , 0. , 0. ,
|
|
1894
|
+
0.33333333, 0.22222222, 0.41666667, 0.8125 , 0.47619048,
|
|
1895
|
+
1.03571429, 1.83783784, 1.25 , 3.06451613, 7.175 ,
|
|
1896
|
+
7.42156863, 12.88461538, 21.62424242, 18.67464115, 21.375 ,
|
|
1897
|
+
23.07507508, 32.00238663, 45.52941176, 61.17975831, 67.35018051,
|
|
1898
|
+
64.78119002]))
|
|
1899
|
+
"""
|
|
1900
|
+
...
|
|
1901
|
+
|
|
1902
|
+
|
|
1903
|
+
def overlap_q_single(atoms: List[Atoms], a: float, timestep: float) -> \
|
|
1904
|
+
Tuple[NDArray, NDArray, NDArray, NDArray]:
|
|
1905
|
+
"""Non-averaged overlap parameter.
|
|
1906
|
+
|
|
1907
|
+
It is defined as
|
|
1908
|
+
|
|
1909
|
+
.. math::
|
|
1910
|
+
|
|
1911
|
+
Q(t) = \sum_{i, j = 1}^N w(|\vec{r}_i(0) - \vec{r}_j(t)|)
|
|
1912
|
+
|
|
1913
|
+
(see Lacevic et al., "Spatially heterogeneous dynamics investigated via a
|
|
1914
|
+
time-dependent four-point density correlation function").
|
|
1915
|
+
Here, :math:`w(x)` is an "overlap" function that is one for :math:`x \leq a` and zero
|
|
1916
|
+
otherwise. The overlap parameter can be split into a self-part
|
|
1917
|
+
|
|
1918
|
+
.. math::
|
|
1919
|
+
|
|
1920
|
+
Q_\mathrm{s}(t) = \sum_{i = 1}^N w(|\vec{r}_i(0) - \vec{r}_i(t)|)
|
|
1921
|
+
|
|
1922
|
+
and a distinct part
|
|
1923
|
+
|
|
1924
|
+
.. math::
|
|
1925
|
+
|
|
1926
|
+
Q_\mathrm{d}(t) = \sum_{i, j = 1, i \neq j}^N w(|\vec{r}_i(0) - \vec{r}_j(t)|).
|
|
1927
|
+
|
|
1928
|
+
Arguments:
|
|
1929
|
+
atoms (List[ase.Atoms]): List of Atoms objects from ASE
|
|
1930
|
+
a (float): Cutoff for the overlap function
|
|
1931
|
+
timestep (float): Time step of the input trajectory (in fs)
|
|
1932
|
+
|
|
1933
|
+
Returns:
|
|
1934
|
+
Tuple of four arrays of length n_times (time, full q, self part, distinct part)
|
|
1935
|
+
|
|
1936
|
+
Examples
|
|
1937
|
+
--------
|
|
1938
|
+
|
|
1939
|
+
The exemplary file "Sb-1.00-300-100.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb-1.00-300-100.traj>`_.
|
|
1940
|
+
|
|
1941
|
+
>>> import fastatomstruct as fs
|
|
1942
|
+
>>> from ase import io
|
|
1943
|
+
>>> atoms = io.read("Sb-1.00-300-100.traj", index=":")
|
|
1944
|
+
>>> fs.overlap_q_single(atoms, 2, 200)
|
|
1945
|
+
(array([0.00000000e+00, 2.00000000e+02, 4.50000000e+02, 7.62500000e+02,
|
|
1946
|
+
1.15312500e+03, 1.64140625e+03, 2.25175781e+03, 3.01469727e+03,
|
|
1947
|
+
3.96837158e+03, 5.16046448e+03, 6.65058060e+03, 8.51322575e+03,
|
|
1948
|
+
1.08415322e+04, 1.37519152e+04, 1.73898940e+04, 2.19373675e+04,
|
|
1949
|
+
2.76217094e+04, 3.47271368e+04, 4.36089210e+04, 5.47111512e+04,
|
|
1950
|
+
6.85889390e+04, 8.59361738e+04, 1.07620217e+05, 1.34725272e+05,
|
|
1951
|
+
1.68606589e+05, 2.10958237e+05]), array([728., 728., 728., 728., 728., 729., 729., 729., 729., 729., 729.,
|
|
1952
|
+
729., 733., 734., 749., 742., 742., 755., 753., 763., 766., 784.,
|
|
1953
|
+
795., 810., 815., 807.]), array([728., 728., 728., 728., 728., 728., 728., 728., 728., 727., 727.,
|
|
1954
|
+
727., 727., 727., 728., 724., 724., 718., 719., 718., 711., 696.,
|
|
1955
|
+
680., 658., 646., 641.]), array([ 0., 0., 0., 0., 0., 1., 1., 1., 1., 2., 2.,
|
|
1956
|
+
2., 6., 7., 21., 18., 18., 37., 34., 45., 55., 88.,
|
|
1957
|
+
115., 152., 169., 166.]))
|
|
1958
|
+
"""
|
|
1959
|
+
...
|
|
1960
|
+
|
|
1961
|
+
|
|
1962
|
+
def overlap_q_single_self(atoms: List[Atoms], a: float, timestep: float) -> Tuple[NDArray, NDArray]:
|
|
1963
|
+
"""Self part of the overlap parameter.
|
|
1964
|
+
|
|
1965
|
+
It is defined as
|
|
1966
|
+
|
|
1967
|
+
.. math::
|
|
1968
|
+
|
|
1969
|
+
Q_\mathrm{s}(t) = \sum_{i = 1}^N w(|\vec{r}_i(0) - \vec{r}_i(t)|),
|
|
1970
|
+
|
|
1971
|
+
where :math:`w(x)` is an "overlap" function that is one for :math:`x \leq a` and zero
|
|
1972
|
+
otherwise.
|
|
1973
|
+
|
|
1974
|
+
Arguments:
|
|
1975
|
+
atoms (List[ase.Atoms]): List of Atoms objects from ASE
|
|
1976
|
+
a (float): Cutoff for the overlap function
|
|
1977
|
+
timestep (float): Time step of the input trajectory (in fs)
|
|
1978
|
+
|
|
1979
|
+
Returns:
|
|
1980
|
+
Two arrays of length n_times containing the time and the self part of the overlap parameter
|
|
1981
|
+
|
|
1982
|
+
Examples
|
|
1983
|
+
--------
|
|
1984
|
+
|
|
1985
|
+
The exemplary file "Sb-1.00-300-100.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb-1.00-300-100.traj>`_.
|
|
1986
|
+
|
|
1987
|
+
>>> import fastatomstruct as fs
|
|
1988
|
+
>>> from ase import io
|
|
1989
|
+
>>> atoms = io.read("Sb-1.00-300-100.traj", index=":")
|
|
1990
|
+
>>> fs.overlap_q_single_self(atoms, 2, 200)
|
|
1991
|
+
(array([0.00000000e+00, 2.00000000e+02, 4.50000000e+02, 7.62500000e+02,
|
|
1992
|
+
1.15312500e+03, 1.64140625e+03, 2.25175781e+03, 3.01469727e+03,
|
|
1993
|
+
3.96837158e+03, 5.16046448e+03, 6.65058060e+03, 8.51322575e+03,
|
|
1994
|
+
1.08415322e+04, 1.37519152e+04, 1.73898940e+04, 2.19373675e+04,
|
|
1995
|
+
2.76217094e+04, 3.47271368e+04, 4.36089210e+04, 5.47111512e+04,
|
|
1996
|
+
6.85889390e+04, 8.59361738e+04, 1.07620217e+05, 1.34725272e+05,
|
|
1997
|
+
1.68606589e+05, 2.10958237e+05]), array([728., 728., 728., 728., 728., 728., 728., 728., 728., 727., 727.,
|
|
1998
|
+
727., 727., 727., 728., 724., 724., 718., 719., 718., 711., 696.,
|
|
1999
|
+
680., 658., 646., 641.]))
|
|
2000
|
+
"""
|
|
2001
|
+
...
|
|
2002
|
+
|
|
2003
|
+
|
|
2004
|
+
def overlap_q_single_distinct(atoms: List[Atoms], a: float, timestep: float) -> Tuple[NDArray, NDArray]:
|
|
2005
|
+
"""Distinct part of the overlap parameter.
|
|
2006
|
+
|
|
2007
|
+
It is defined as
|
|
2008
|
+
|
|
2009
|
+
.. math::
|
|
2010
|
+
|
|
2011
|
+
Q_\mathrm{d}(t) = \sum_{i, j = 1, i \neq j}^N w(|\vec{r}_i(0) - \vec{r}_j(t)|),
|
|
2012
|
+
|
|
2013
|
+
where :math:`w(x)` is an "overlap" function that is one for :math:`x \leq a` and zero
|
|
2014
|
+
otherwise.
|
|
2015
|
+
|
|
2016
|
+
Arguments:
|
|
2017
|
+
atoms (List[ase.Atoms]): List of Atoms objects from ASE
|
|
2018
|
+
a (float): Cutoff for the overlap function
|
|
2019
|
+
timestep (float): Time step of the input trajectory (in fs)
|
|
2020
|
+
|
|
2021
|
+
Returns:
|
|
2022
|
+
Two arrays of length n_times containing the time and the distinct part of the overlap parameter
|
|
2023
|
+
|
|
2024
|
+
Examples
|
|
2025
|
+
--------
|
|
2026
|
+
|
|
2027
|
+
The exemplary file "Sb-1.00-300-100.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb-1.00-300-100.traj>`_.
|
|
2028
|
+
|
|
2029
|
+
>>> import fastatomstruct as fs
|
|
2030
|
+
>>> from ase import io
|
|
2031
|
+
>>> atoms = io.read("Sb-1.00-300-100.traj", index=":")
|
|
2032
|
+
>>> fs.overlap_q_single_distinct(atoms, 2, 200)
|
|
2033
|
+
(array([0.00000000e+00, 2.00000000e+02, 4.50000000e+02, 7.62500000e+02,
|
|
2034
|
+
1.15312500e+03, 1.64140625e+03, 2.25175781e+03, 3.01469727e+03,
|
|
2035
|
+
3.96837158e+03, 5.16046448e+03, 6.65058060e+03, 8.51322575e+03,
|
|
2036
|
+
1.08415322e+04, 1.37519152e+04, 1.73898940e+04, 2.19373675e+04,
|
|
2037
|
+
2.76217094e+04, 3.47271368e+04, 4.36089210e+04, 5.47111512e+04,
|
|
2038
|
+
6.85889390e+04, 8.59361738e+04, 1.07620217e+05, 1.34725272e+05,
|
|
2039
|
+
1.68606589e+05, 2.10958237e+05]), array([ 0., 0., 0., 0., 0., 1., 1., 1., 1., 2., 2.,
|
|
2040
|
+
2., 6., 7., 21., 18., 18., 37., 34., 45., 55., 88.,
|
|
2041
|
+
115., 152., 169., 166.]))
|
|
2042
|
+
"""
|
|
2043
|
+
...
|
|
2044
|
+
|
|
2045
|
+
|
|
2046
|
+
def fourpoint_susceptibility(
|
|
2047
|
+
atoms: List[Atoms], a: float, temperature: float, timestep: float
|
|
2048
|
+
) -> Tuple[NDArray, NDArray, NDArray, NDArray, NDArray]:
|
|
2049
|
+
"""Four-point susceptibility.
|
|
2050
|
+
|
|
2051
|
+
It is defined as
|
|
2052
|
+
|
|
2053
|
+
.. math::
|
|
2054
|
+
|
|
2055
|
+
\chi_4(t) = \frac{\beta V}{N^2} \left[\langle Q^2(t) \rangle - \langle Q(t) \rangle^2\right]
|
|
2056
|
+
|
|
2057
|
+
and gives information about dynamical heterogeneities. It can be split into three different parts
|
|
2058
|
+
|
|
2059
|
+
.. math::
|
|
2060
|
+
|
|
2061
|
+
\chi_4(t) = \chi_\mathrm{ss}(t) + \chi_\mathrm{dd}(t) + \chi_\mathrm{sd}(t),
|
|
2062
|
+
|
|
2063
|
+
(see Lacevic et al., "Spatially heterogeneous dynamics investigated via a time-dependent four-point density correlation function"), where
|
|
2064
|
+
|
|
2065
|
+
.. math::
|
|
2066
|
+
|
|
2067
|
+
\begin{split}
|
|
2068
|
+
\chi_\mathrm{ss}(t) &\propto \langle Q_\mathrm{s}^2(t)\rangle - \langle Q_\mathrm{s}(t) \rangle^2, \\
|
|
2069
|
+
\chi_\mathrm{dd}(t) &\propto \langle Q_\mathrm{d}^2(t)\rangle - \langle Q_\mathrm{d}(t) \rangle^2\mathrm{, and} \\
|
|
2070
|
+
\chi_\mathrm{sd}(t) &\propto \langle Q_\mathrm{s}(t) Q_\mathrm{d}(t) \rangle - \langle Q_\mathrm{s}(t) \rangle \langle Q_\mathrm{d}(t) \rangle.
|
|
2071
|
+
\end{split}
|
|
2072
|
+
|
|
2073
|
+
:math:`Q(t)`, :math:`Q_\mathrm{s}(t)` and :math:`Q_\mathrm{d}(t)` are the overlap parameters defined as
|
|
2074
|
+
|
|
2075
|
+
.. math::
|
|
2076
|
+
|
|
2077
|
+
Q(t) = \sum_{i, j = 1}^N w(|\vec{r}_i(0) - \vec{r}_j(t)|),
|
|
2078
|
+
|
|
2079
|
+
with the self part
|
|
2080
|
+
|
|
2081
|
+
.. math::
|
|
2082
|
+
|
|
2083
|
+
Q_\mathrm{s}(t) = \sum_{i = 1}^N w(|\vec{r}_i(0) - \vec{r}_i(t)|),
|
|
2084
|
+
|
|
2085
|
+
and the distinct part
|
|
2086
|
+
|
|
2087
|
+
.. math::
|
|
2088
|
+
|
|
2089
|
+
Q_\mathrm{d}(t) = \sum_{i, j = 1, i \neq j}^N w(|\vec{r}_i(0) - \vec{r}_j(t)|)
|
|
2090
|
+
|
|
2091
|
+
(see Lacevic et al., "Spatially heterogeneous dynamics investigated via a time-dependent four-point density correlation function").
|
|
2092
|
+
|
|
2093
|
+
Arguments:
|
|
2094
|
+
atoms (List[ase.Atoms]): List of Atoms objects from ASE
|
|
2095
|
+
a (float): Cutoff for the overlap function
|
|
2096
|
+
temperature (float): Temperature of the system (in K)
|
|
2097
|
+
timestep (float): Time step of the input trajectory (in fs)
|
|
2098
|
+
|
|
2099
|
+
Returns:
|
|
2100
|
+
Five arrays of length n_times containing the time and four-point susceptibility (full, self part, distinct part, cross part)
|
|
2101
|
+
|
|
2102
|
+
Examples
|
|
2103
|
+
--------
|
|
2104
|
+
|
|
2105
|
+
The exemplary file "Sb-1.00-300-100.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb-1.00-300-100.traj>`_.
|
|
2106
|
+
|
|
2107
|
+
>>> import fastatomstruct as fs
|
|
2108
|
+
>>> from ase import io
|
|
2109
|
+
>>> atoms = io.read("Sb-1.00-300-100.traj", index=":")
|
|
2110
|
+
>>> fs.fourpoint_susceptibility(atoms, 2, 300, 200)
|
|
2111
|
+
(array([0.00000000e+00, 2.00000000e+02, 4.50000000e+02, 7.62500000e+02,
|
|
2112
|
+
1.15312500e+03, 1.64140625e+03, 2.25175781e+03, 3.01469727e+03,
|
|
2113
|
+
3.96837158e+03, 5.16046448e+03, 6.65058060e+03, 8.51322575e+03,
|
|
2114
|
+
1.08415322e+04, 1.37519152e+04, 1.73898940e+04, 2.19373675e+04,
|
|
2115
|
+
2.76217094e+04, 3.47271368e+04, 4.36089210e+04, 5.47111512e+04,
|
|
2116
|
+
6.85889390e+04, 8.59361738e+04, 1.07620217e+05, 1.34725272e+05,
|
|
2117
|
+
1.68606589e+05, 2.10958237e+05]), array([0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
|
|
2118
|
+
0.00000000e+00, 3.67770417e-01, 2.86043658e-01, 4.02248894e-01,
|
|
2119
|
+
1.49334902e+00, 6.83002204e-01, 1.82595198e+00, 3.21322276e+00,
|
|
2120
|
+
3.76605527e+00, 8.19518588e+00, 3.76528238e+01, 5.12245972e+01,
|
|
2121
|
+
1.58465429e+02, 4.72641884e+02, 3.07650655e+02, 3.49178041e+02,
|
|
2122
|
+
6.51803710e+02, 1.12799195e+03, 2.11344492e+03, 3.62413461e+03,
|
|
2123
|
+
3.97949143e+03, 2.89466312e+03]), array([0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
|
|
2124
|
+
0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
|
|
2125
|
+
0.00000000e+00, 7.50551873e-02, 1.09768211e-01, 4.35199469e-02,
|
|
2126
|
+
3.37601751e-02, 1.45735247e+00, 2.24842766e+00, 5.23022981e+00,
|
|
2127
|
+
1.21477507e+01, 3.38154261e+01, 3.33430304e+01, 3.31992587e+01,
|
|
2128
|
+
6.63575617e+01, 2.30103357e+02, 4.61289215e+02, 7.26624117e+02,
|
|
2129
|
+
7.48902645e+02, 8.56246437e+02]), array([0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
|
|
2130
|
+
0.00000000e+00, 3.67770417e-01, 2.86043658e-01, 4.02248894e-01,
|
|
2131
|
+
1.49334902e+00, 7.28035316e-01, 1.83017383e+00, 3.17695614e+00,
|
|
2132
|
+
3.89606786e+00, 9.65598261e+00, 4.21095979e+01, 5.95280642e+01,
|
|
2133
|
+
1.89217064e+02, 5.66126085e+02, 3.74069040e+02, 4.23432522e+02,
|
|
2134
|
+
8.06913757e+02, 1.46415590e+03, 2.75190309e+03, 4.63806120e+03,
|
|
2135
|
+
5.08380153e+03, 3.80785978e+03]), array([ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
|
|
2136
|
+
0.00000000e+00, 0.00000000e+00, 0.00000000e+00, -9.40739754e-14,
|
|
2137
|
+
0.00000000e+00, -1.20088300e-01, -1.13990066e-01, -7.25332452e-03,
|
|
2138
|
+
-1.63772764e-01, -2.91814919e+00, -6.70520174e+00, -1.35336968e+01,
|
|
2139
|
+
-4.28993855e+01, -1.27299627e+02, -9.97614155e+01, -1.07453740e+02,
|
|
2140
|
+
-2.21467608e+02, -5.66267306e+02, -1.09974738e+03, -1.74055071e+03,
|
|
2141
|
+
-1.85321275e+03, -1.76944310e+03]))
|
|
2142
|
+
"""
|
|
2143
|
+
...
|
|
2144
|
+
|
|
2145
|
+
|
|
2146
|
+
def fourpoint_susceptibility_self(
|
|
2147
|
+
atoms: List[Atoms], a: float, temperature: float, timestep: float) -> Tuple[NDArray]:
|
|
2148
|
+
"""Self part of the four-point susceptibility.
|
|
2149
|
+
|
|
2150
|
+
It is defined as
|
|
2151
|
+
|
|
2152
|
+
.. math::
|
|
2153
|
+
|
|
2154
|
+
\chi_\mathrm{ss}(t) = \frac{\beta V}{N^2} \left[\langle Q_\mathrm{s}^2(t) \rangle - \langle Q_\mathrm{s}(t) \rangle^2\right].
|
|
2155
|
+
|
|
2156
|
+
:math:`Q_\mathrm{s}(t)` is the self part of the overlap parameter, defined as
|
|
2157
|
+
|
|
2158
|
+
.. math::
|
|
2159
|
+
|
|
2160
|
+
Q_\mathrm{s}(t) = \sum_{i = 1}^N w(|\vec{r}_i(0) - \vec{r}_i(t)|)
|
|
2161
|
+
|
|
2162
|
+
(see Lacevic et al., "Spatially heterogeneous dynamics investigated via a time-dependent four-point density correlation function").
|
|
2163
|
+
|
|
2164
|
+
Arguments:
|
|
2165
|
+
atoms (List[ase.Atoms]): List of Atoms objects from ASE
|
|
2166
|
+
a (float): Cutoff for the overlap function
|
|
2167
|
+
temperature (float): Temperature of the system (in K)
|
|
2168
|
+
timestep (float): Time step of the input trajectory (in fs)
|
|
2169
|
+
|
|
2170
|
+
Returns:
|
|
2171
|
+
Two arrays of length n_times containing the time and the self part of the four-point susceptibility
|
|
2172
|
+
|
|
2173
|
+
Examples
|
|
2174
|
+
--------
|
|
2175
|
+
|
|
2176
|
+
The exemplary file "Sb-1.00-300-100.traj" `can be found here <https://zivgitlab.uni-muenster.de/ag-salinga/fastatomstruct/-/raw/master/regressiontesting/Structures/Sb-1.00-300-100.traj>`_.
|
|
2177
|
+
|
|
2178
|
+
>>> import fastatomstruct as fs
|
|
2179
|
+
>>> from ase import io
|
|
2180
|
+
>>> atoms = io.read("Sb-1.00-300-100.traj", index=":")
|
|
2181
|
+
>>> fs.fourpoint_susceptibility_self(atoms, 2, 300, 200)
|
|
2182
|
+
(array([0.00000000e+00, 2.00000000e+02, 4.50000000e+02, 7.62500000e+02,
|
|
2183
|
+
1.15312500e+03, 1.64140625e+03, 2.25175781e+03, 3.01469727e+03,
|
|
2184
|
+
3.96837158e+03, 5.16046448e+03, 6.65058060e+03, 8.51322575e+03,
|
|
2185
|
+
1.08415322e+04, 1.37519152e+04, 1.73898940e+04, 2.19373675e+04,
|
|
2186
|
+
2.76217094e+04, 3.47271368e+04, 4.36089210e+04, 5.47111512e+04,
|
|
2187
|
+
6.85889390e+04, 8.59361738e+04, 1.07620217e+05, 1.34725272e+05,
|
|
2188
|
+
1.68606589e+05, 2.10958237e+05]), array([0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
|
|
2189
|
+
0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
|
|
2190
|
+
0.00000000e+00, 7.50551873e-02, 1.09768211e-01, 4.35199469e-02,
|
|
2191
|
+
3.37601751e-02, 1.45735247e+00, 2.24842766e+00, 5.23022981e+00,
|
|
2192
|
+
1.21477507e+01, 3.38154261e+01, 3.33430304e+01, 3.31992587e+01,
|
|
2193
|
+
6.63575617e+01, 2.30103357e+02, 4.61289215e+02, 7.26624117e+02,
|
|
2194
|
+
7.48902645e+02, 8.56246437e+02]))
|
|
2195
|
+
"""
|
|
2196
|
+
...
|