mat3ra-esse 2025.6.5.post0__py3-none-any.whl → 2025.6.14.post0__py3-none-any.whl

mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py

@@ -19,115 +19,115 @@ class ScalarSchema(BaseModel):
     value: float
 
 
-class Name186(Enum):
+class Name226(Enum):
     harris_foulkes = "harris_foulkes"
 
 
-class ScalarSchema20(BaseModel):
-    name: Optional[Name186] = None
+class ScalarSchema25(BaseModel):
+    name: Optional[Name226] = None
     value: float
 
 
-class Name187(Enum):
+class Name227(Enum):
     one_electron = "one_electron"
 
 
-class ScalarSchema21(BaseModel):
-    name: Optional[Name187] = None
+class ScalarSchema26(BaseModel):
+    name: Optional[Name227] = None
     value: float
 
 
-class Name188(Enum):
+class Name228(Enum):
     hartree = "hartree"
 
 
-class ScalarSchema22(BaseModel):
-    name: Optional[Name188] = None
+class ScalarSchema27(BaseModel):
+    name: Optional[Name228] = None
     value: float
 
 
-class Name189(Enum):
+class Name229(Enum):
     exchange = "exchange"
 
 
-class ScalarSchema23(BaseModel):
-    name: Optional[Name189] = None
+class ScalarSchema28(BaseModel):
+    name: Optional[Name229] = None
     value: float
 
 
-class Name190(Enum):
+class Name230(Enum):
     exchange_correlation = "exchange_correlation"
 
 
-class ScalarSchema24(BaseModel):
-    name: Optional[Name190] = None
+class ScalarSchema29(BaseModel):
+    name: Optional[Name230] = None
     value: float
 
 
-class Name191(Enum):
+class Name231(Enum):
     ewald = "ewald"
 
 
-class ScalarSchema25(BaseModel):
-    name: Optional[Name191] = None
+class ScalarSchema30(BaseModel):
+    name: Optional[Name231] = None
     value: float
 
 
-class Name192(Enum):
+class Name232(Enum):
     alphaZ = "alphaZ"
 
 
-class ScalarSchema26(BaseModel):
-    name: Optional[Name192] = None
+class ScalarSchema31(BaseModel):
+    name: Optional[Name232] = None
     value: float
 
 
-class Name193(Enum):
+class Name233(Enum):
     atomic_energy = "atomic_energy"
 
 
-class ScalarSchema27(BaseModel):
-    name: Optional[Name193] = None
+class ScalarSchema32(BaseModel):
+    name: Optional[Name233] = None
     value: float
 
 
-class Name194(Enum):
+class Name234(Enum):
     eigenvalues = "eigenvalues"
 
 
-class ScalarSchema28(BaseModel):
-    name: Optional[Name194] = None
+class ScalarSchema33(BaseModel):
+    name: Optional[Name234] = None
     value: float
 
 
-class Name195(Enum):
+class Name235(Enum):
     PAW_double_counting_correction_2 = "PAW_double-counting_correction_2"
 
 
-class ScalarSchema29(BaseModel):
-    name: Optional[Name195] = None
+class ScalarSchema34(BaseModel):
+    name: Optional[Name235] = None
     value: float
 
 
-class Name196(Enum):
+class Name236(Enum):
     PAW_double_counting_correction_3 = "PAW_double-counting_correction_3"
 
 
-class ScalarSchema30(BaseModel):
-    name: Optional[Name196] = None
+class ScalarSchema35(BaseModel):
+    name: Optional[Name236] = None
     value: float
 
 
-class Name197(Enum):
+class Name237(Enum):
     hartree_fock = "hartree_fock"
 
 
-class ScalarSchema31(BaseModel):
-    name: Optional[Name197] = None
+class ScalarSchema36(BaseModel):
+    name: Optional[Name237] = None
     value: float
 
 
-class Name198(Enum):
+class Name238(Enum):
     total_energy_contributions = "total_energy_contributions"
 
 
@@ -146,53 +146,53 @@ class TotalEnergyContributionsSchema(BaseModel):
     """
     product of temperature and configurational entropy
     """
-    harrisFoulkes: Optional[ScalarSchema20] = Field(None, title="scalar schema")
+    harrisFoulkes: Optional[ScalarSchema25] = Field(None, title="scalar schema")
     """
     non self-consitent energy based on an input charge density
     """
-    oneElectron: Optional[ScalarSchema21] = Field(None, title="scalar schema")
+    oneElectron: Optional[ScalarSchema26] = Field(None, title="scalar schema")
     """
     kinetic + pseudopotential energy
     """
-    hartree: Optional[ScalarSchema22] = Field(None, title="scalar schema")
+    hartree: Optional[ScalarSchema27] = Field(None, title="scalar schema")
     """
     energy due to coulomb potential
     """
-    exchange: Optional[ScalarSchema23] = Field(None, title="scalar schema")
+    exchange: Optional[ScalarSchema28] = Field(None, title="scalar schema")
     """
     exchange energy
     """
-    exchangeCorrelation: Optional[ScalarSchema24] = Field(None, title="scalar schema")
+    exchangeCorrelation: Optional[ScalarSchema29] = Field(None, title="scalar schema")
     """
     exchange and correlation energy per particle
     """
-    ewald: Optional[ScalarSchema25] = Field(None, title="scalar schema")
+    ewald: Optional[ScalarSchema30] = Field(None, title="scalar schema")
     """
     summation of interaction energies at long length scales due to coloumbic interactions
     """
-    alphaZ: Optional[ScalarSchema26] = Field(None, title="scalar schema")
+    alphaZ: Optional[ScalarSchema31] = Field(None, title="scalar schema")
     """
     divergent electrostatic ion interaction in compensating electron gas
     """
-    atomicEnergy: Optional[ScalarSchema27] = Field(None, title="scalar schema")
+    atomicEnergy: Optional[ScalarSchema32] = Field(None, title="scalar schema")
     """
     kinetic energy of wavefunctions in the atomic limit
     """
-    eigenvalues: Optional[ScalarSchema28] = Field(None, title="scalar schema")
+    eigenvalues: Optional[ScalarSchema33] = Field(None, title="scalar schema")
     """
     sum of one electron energies of kinetic, electrostatic, and exchange correlation
     """
-    PAWDoubleCounting2: Optional[ScalarSchema29] = Field(None, title="scalar schema")
+    PAWDoubleCounting2: Optional[ScalarSchema34] = Field(None, title="scalar schema")
     """
     double counting correction 2
     """
-    PAWDoubleCounting3: Optional[ScalarSchema30] = Field(None, title="scalar schema")
+    PAWDoubleCounting3: Optional[ScalarSchema35] = Field(None, title="scalar schema")
     """
     double counting correction 3
     """
-    hartreeFock: Optional[ScalarSchema31] = Field(None, title="scalar schema")
+    hartreeFock: Optional[ScalarSchema36] = Field(None, title="scalar schema")
     """
     hartree-fock contribution
     """
-    name: Optional[Name198] = None
+    name: Optional[Name238] = None
     units: Optional[Units] = None

mat3ra/esse/models/properties_directory/non_scalar/vibrational_spectrum.py

@@ -38,7 +38,7 @@ class Label17(Enum):
     Absorption_coefficient = "Absorption coefficient"
 
 
-class Units100(Enum):
+class Units118(Enum):
     field_debye_angstrom__2 = "(debye/angstrom)^2"
     km_mol = "km/mol"
     m_mol = "m/mol"
@@ -50,7 +50,7 @@ class AxisSchema20(BaseModel):
     """
     label of an axis object
     """
-    units: Optional[Units100] = None
+    units: Optional[Units118] = None
     """
     units for an axis
     """

mat3ra/esse/models/properties_directory/scalar/reaction_energy_barrier.py

@@ -24,11 +24,11 @@ class Units(Enum):
     eV_atom = "eV/atom"
 
 
-class Units66(Enum):
+class Units69(Enum):
     eV_A_2 = "eV/A^2"
 
 
 class ReactionEnergyBarrierSchema(BaseModel):
     name: Name
-    units: Union[Units, Units66]
+    units: Union[Units, Units69]
     value: float

mat3ra/esse/models/properties_directory/scalar/surface_energy.py

@@ -24,11 +24,11 @@ class Units(Enum):
     eV_atom = "eV/atom"
 
 
-class Units91(Enum):
+class Units106(Enum):
     eV_A_2 = "eV/A^2"
 
 
 class SurfaceEnergySchema(BaseModel):
     name: Name
-    units: Union[Units, Units91]
+    units: Union[Units, Units106]
     value: float

mat3ra/esse/models/properties_directory/scalar/total_energy.py

@@ -24,11 +24,11 @@ class Units(Enum):
     eV_atom = "eV/atom"
 
 
-class Units94(Enum):
+class Units109(Enum):
     eV_A_2 = "eV/A^2"
 
 
 class TotalEnergySchema(BaseModel):
     name: Name
-    units: Union[Units, Units94]
+    units: Union[Units, Units109]
     value: float

mat3ra/esse/models/properties_directory/scalar/valence_band_offset.py

@@ -24,11 +24,11 @@ class Units(Enum):
     eV_atom = "eV/atom"
 
 
-class Units98(Enum):
+class Units116(Enum):
     eV_A_2 = "eV/A^2"
 
 
 class ValenceBandOffsetSchema(BaseModel):
     name: Name
-    units: Union[Units, Units98]
+    units: Union[Units, Units116]
     value: float

mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py

@@ -24,11 +24,11 @@ class Units(Enum):
     eV_atom = "eV/atom"
 
 
-class Units103(Enum):
+class Units121(Enum):
     eV_A_2 = "eV/A^2"
 
 
 class ZeroPointEnergySchema(BaseModel):
     name: Name
-    units: Union[Units, Units103]
+    units: Union[Units, Units121]
     value: float

mat3ra/esse/models/properties_directory/structural/molecular_pattern.py

@@ -37,12 +37,12 @@ class FunctionalGroupPatternSchema(BaseModel):
     """
 
 
-class Name110(Enum):
+class Name118(Enum):
     ring = "ring"
 
 
 class RingPatternSchema(BaseModel):
-    name: Optional[Name110] = None
+    name: Optional[Name118] = None
     atoms: Optional[List[ObjectWithId]] = Field(None, title="array of ids")
     """
     array of objects containing integer id each
@@ -50,12 +50,12 @@ class RingPatternSchema(BaseModel):
     isAromatic: Optional[bool] = None
 
 
-class Name111(Enum):
+class Name119(Enum):
     special_bond = "special_bond"
 
 
 class SpecialBondPatternSchema(BaseModel):
-    name: Optional[Name111] = None
+    name: Optional[Name119] = None
     atoms: Optional[List[ObjectWithId]] = Field(None, title="array of ids")
     """
     array of objects containing integer id each

{mat3ra_esse-2025.6.5.post0.dist-info → mat3ra_esse-2025.6.14.post0.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: mat3ra-esse
-Version: 2025.6.5.post0
+Version: 2025.6.14.post0
 Summary: Excellent Source of Schemas and Examples.
 Author-email: "Exabyte Inc." <info@mat3ra.com>
 License: # LICENSE

{mat3ra_esse-2025.6.5.post0.dist-info → mat3ra_esse-2025.6.14.post0.dist-info}/RECORD

@@ -2,9 +2,9 @@ mat3ra/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 mat3ra/esse/__init__.py,sha256=nN0dOkxbOK6sWOTNr8aBGi9bQsI9sy6B2nn0UP29-sI,1244
 mat3ra/esse/utils.py,sha256=-FexdtkOYGEWmwJUwWDuJferibc7M1YzUH738Bffuxo,1727
 mat3ra/esse/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-mat3ra/esse/data/examples.py,sha256=7HYWRVx6hI9pNLEvpW1RZbPF_nrhVuw_3UYZrmD7IGw,55540
+mat3ra/esse/data/examples.py,sha256=0mxPYRoZ-5_JANeC77Xg67OON8sHTnPi-I0WRS4YA7s,60952
 mat3ra/esse/data/properties.py,sha256=geWFIVIJbdn2Q_JG3Mz36oQ_dXeZZwnmlS_NgszvHUY,6099
-mat3ra/esse/data/schemas.py,sha256=b8UItIb2rwut4MY2UYhqWWEx_YFGSJLxM34YjCuoNO4,1836026
+mat3ra/esse/data/schemas.py,sha256=bVaJZmsSiPCKL6PGVGJZhBQH6WpcKmEvK430k13r-8w,1925090
 mat3ra/esse/models/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/coordinates_shape_enum.py,sha256=YePazJ_MnDUPF9IwnaiQza0w0DLPm_WpGImQK3TuKGo,319
 mat3ra/esse/models/element.py,sha256=n_06XRiBOS9Tq_z08YGu5_nZDuqLnkxsfAe9mqYON2s,2944
@@ -13,7 +13,7 @@ mat3ra/esse/models/apse/db/nist_jarvis/2024_3.13/__init__.py,sha256=Khec_bQt22_U
 mat3ra/esse/models/apse/db/nist_jarvis/2024_3.13/atoms.py,sha256=KJoqkT9hV3J_xJmaHCLx7bAEBxvGxz0_ZC76b9Auu2k,1451
 mat3ra/esse/models/apse/db/nist_jarvis/2024_3.13/db_entry.py,sha256=U1u7lcPwZCymrEfiOrkjT0nbvDDaiz83LiVUGKtx18s,1909
 mat3ra/esse/models/apse/file/applications/espresso/7.2/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/apse/file/applications/espresso/7.2/pw_x.py,sha256=Pp3HsT4SoBr5q-axD55yPxQJtis4NrgLaxGCQlgB-9k,74723
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw_x.py,sha256=s62z9GfPl3OK9U24M-ExKkfaSHKRestBrNreOutoi6U,74723
 mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/atomic_positions.py,sha256=mnHklX-WdQl7yHBykTvnpid3zOzOVv6fr9kLCIhK85c,1271
 mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/atomic_species.py,sha256=DEYl0xPnsY2XIyRIJhvny8BmaKLASkdBbIN1Xc-o--c,1180
@@ -144,10 +144,10 @@ mat3ra/esse/models/material/builders/base/__init__.py,sha256=Khec_bQt22_UudNLJlj
 mat3ra/esse/models/material/builders/base/selector_parameters.py,sha256=ePtuNvhoyfzmhQD1OEwIvzVyteyakcNBqvCoLCPofOw,370
 mat3ra/esse/models/material/builders/single_material/two_dimensional/slab/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/material/builders/single_material/two_dimensional/slab/builder_parameters.py,sha256=4vq5IwymOgpi24Eu1tus6pByU6z27BVTClH9lhjg5Mg,743
-mat3ra/esse/models/material/builders/single_material/two_dimensional/slab/selector_parameters.py,sha256=1RpA1SmyVMGZOcOwW30Vl470e2nQFJNKhUSvyQBKmRo,2611
+mat3ra/esse/models/material/builders/single_material/two_dimensional/slab/selector_parameters.py,sha256=EsSL1t4Jkg34czyyG5dOOrrbp1NYPqnw7h73XvlwH5U,2606
 mat3ra/esse/models/material/reusable/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/material/reusable/repetitions.py,sha256=CpJjyQLz0MoQsp5fiLSCNDE1NfajQYTRjUJTzLb9YHc,754
-mat3ra/esse/models/material/reusable/slab_configuration_with_termination.py,sha256=96UP1nc0d_JpLlih92BGH_3eoHygs6Sc6nnppzyPi4U,15581
+mat3ra/esse/models/material/reusable/slab_configuration_with_termination.py,sha256=2g06OxdATJ_Wnxs-W0-lX6YDhdRWV3mJ4wg1kBFOz1I,15576
 mat3ra/esse/models/material/reusable/supercell_matrix_2d.py,sha256=Ul--ruw2s6JRVwu4y6M-YKSZBmZb6uI-pfC-Ua0ZWus,722
 mat3ra/esse/models/material/reusable/supercell_matrix_3d.py,sha256=tqKLcZyV3zaSq2I4dZR6mVB-EMoykMvOh-lBaKh_cZc,784
 mat3ra/esse/models/material/reusable/coordinate_conditions/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
@@ -163,14 +163,14 @@ mat3ra/esse/models/material/reusable/slab/miller_indices.py,sha256=FIqFq2U34Q0g5
 mat3ra/esse/models/material/reusable/slab/number_of_layers.py,sha256=-tw5Z2q1eIXe3rm3XOCI_ux31QS6463sb3n0qHQ8Tkc,440
 mat3ra/esse/models/material/reusable/slab/slab_configuration_with_termination.py,sha256=toHZlEtuVcKXTBt_aKg8bveYrsFu3NgijUmoEYcG9xI,13776
 mat3ra/esse/models/material/reusable/slab/slab_with_termination.py,sha256=Z10EKD_ijcMTcNdzrB_E4a9qakwzUICe0a76EfftsCQ,13835
-mat3ra/esse/models/material/reusable/slab/termination.py,sha256=-Zh961QVKipjdbEgcD5Ddqjyftyo0ikNNiUl9334rEo,2364
+mat3ra/esse/models/material/reusable/slab/termination.py,sha256=uYyGTGpqCV1QFvfEYBNu_DU1z7HJRAqlZ4jDbGorxEc,2359
 mat3ra/esse/models/material/reusable/slab/two_slabs_stack.py,sha256=VEfVT6nel6uuC75bCHKMSwE7FsUerc_JvXVSm9QcKdo,14474
 mat3ra/esse/models/material/reusable/slab/vacuum.py,sha256=GlJFBUUYc8JP-zqdLXaUf899-3fy1X2p_sdzbpwPlw8,421
 mat3ra/esse/models/material/reusable/slab/enums/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/material/reusable/slab/enums/exposed_face.py,sha256=-MUlEELT-ec-0XtmZrsrs2HVviP-ITmhxJYiR_1ab5M,268
 mat3ra/esse/models/material/reusable/stack/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/material/reusable/stack/slab_configuration_with_termination.py,sha256=VvSEirucIX05yor2YRN2RSjuM9yJUr-RzvHKLDs_Aow,13848
-mat3ra/esse/models/material/reusable/stack/slab_in_stack.py,sha256=x3hUoJ8ljsvMNZ0AKKPeYAuUBd7AW6endi8egwAnm_U,15785
+mat3ra/esse/models/material/reusable/stack/slab_in_stack.py,sha256=EYiv2pAkhBeBfW-82TYN6Pqy3xaVGetUe5cbK1vfQJk,15780
 mat3ra/esse/models/material/reusable/stack/stack_of_slabs.py,sha256=d22cbirT2w3JLMkb6cyBAtj-_I1-RqOQKtnwG4Jp80w,16206
 mat3ra/esse/models/material/reusable/stack/stack_of_two_slabs.py,sha256=2r5ahhJxqdxiI0DlQ0ZynOCc3zmMq7_7S0t7VehzzSQ,16227
 mat3ra/esse/models/material/reusable/supercell/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
@@ -189,7 +189,7 @@ mat3ra/esse/models/materials_category/defects/enums/point_defect_type.py,sha256=
 mat3ra/esse/models/materials_category/defects/one_dimensional/terrace/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/materials_category/defects/one_dimensional/terrace/configuration.py,sha256=nLnMwm_Dc4mYHYP3Yrz0qooqje38fOwaAecuXuf2jWE,12798
 mat3ra/esse/models/materials_category/defects/two_dimensional/grain_boundary_plane/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/materials_category/defects/two_dimensional/grain_boundary_plane/configuration.py,sha256=iReKVnULHSzR4SFJHuUG4jMW8t2BL3YiZCS8wpAADQg,27395
+mat3ra/esse/models/materials_category/defects/two_dimensional/grain_boundary_plane/configuration.py,sha256=uZY455jUraEXrS1Q9wb-XfIDKHM3aUZ-qykDeI3iWY0,27385
 mat3ra/esse/models/materials_category/defects/two_dimensional/island/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/materials_category/defects/two_dimensional/island/condition_json.py,sha256=RnKPBWrycEr-fU4X7NKZ1tdRlYFcFM-y4cW44rb_wrE,863
 mat3ra/esse/models/materials_category/defects/two_dimensional/island/configuration.py,sha256=ESb5xFkiXH42aqIltQQ-9WEJyYqIuY5g63AcwWESjks,12817
@@ -204,11 +204,11 @@ mat3ra/esse/models/materials_category/defects/zero_dimensional/point/substitutio
 mat3ra/esse/models/materials_category/defects/zero_dimensional/point/vacancy/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/materials_category/defects/zero_dimensional/point/vacancy/configuration.py,sha256=piucwaXcimn031aiU_1A17bwPhpcx35pPeNC9z-lc60,14025
 mat3ra/esse/models/materials_category/multi_material/interfaces/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/materials_category/multi_material/interfaces/configuration.py,sha256=rgJqVlgQFS4N3Kc4sgq4j4htenA9Xf82IEm1hUp_KHI,16221
+mat3ra/esse/models/materials_category/multi_material/interfaces/configuration.py,sha256=56svgFCbz6vmKQnUiuO5CgCIuqAlO0wdX3YctuMUkbs,16216
 mat3ra/esse/models/materials_category/pristine_structures/three_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/materials_category/pristine_structures/three_dimensional/ideal_crystal.py,sha256=x8ZwbukFhJaa3J2b_WnGMyUXYtbqpMme-fo7ZmfYg6Q,11739
 mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab.py,sha256=oVu_x3OSr6om8ctkVML6rixzi65qyf_PuG_nQ28HXe4,15720
+mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab.py,sha256=-xN_Avv0ydJ2qNxv3xZwD452_PEDsTGx1ToD14nXf30,24933
 mat3ra/esse/models/materials_category/single_material/two_dimensional/slab/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/materials_category/single_material/two_dimensional/slab/configuration.py,sha256=gG-dtEKQPSJgGFIjTu41er0By7B1iVFMWE2qiIMU2OI,13098
 mat3ra/esse/models/materials_category_components/entities/auxiliary/three_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
@@ -216,32 +216,32 @@ mat3ra/esse/models/materials_category_components/entities/auxiliary/three_dimens
 mat3ra/esse/models/materials_category_components/entities/auxiliary/two_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/materials_category_components/entities/auxiliary/two_dimensional/miller_indices.py,sha256=7pfnaj6FU41ZyuvBbYz67mWkh21425rJyNw4_Ug9WfU,513
 mat3ra/esse/models/materials_category_components/entities/auxiliary/two_dimensional/supercell_matrix_2d.py,sha256=AKWn7TICc3OHL9Ip1A9coI8Gl-VDpgcZCjKmcSAbXRw,769
-mat3ra/esse/models/materials_category_components/entities/auxiliary/two_dimensional/termination.py,sha256=kfUPs9-yfsOx6-e9_6jLKWskd4ZGt9DkG1zo_5rY7AI,2406
+mat3ra/esse/models/materials_category_components/entities/auxiliary/two_dimensional/termination.py,sha256=LE0QSArs0CTPvIQ6-osWymoeEGh7ebotWqUnFUNksII,2401
 mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.py,sha256=zYg22xaI2cRoq9AzpWBkh8Fk-R6Y53Fgn8ItDtb2Lz4,392
 mat3ra/esse/models/materials_category_components/entities/core/three_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/materials_category_components/entities/core/three_dimensional/crystal.py,sha256=6GYJ50v6qiQZE67-rXTNwISYtBQIGosbaabqxZKEsa8,11733
 mat3ra/esse/models/materials_category_components/entities/core/three_dimensional/void.py,sha256=23O84_CEsV-zdidWHPnadN-mSjISj78_9cojEOfttPw,1059
 mat3ra/esse/models/materials_category_components/entities/core/two_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/materials_category_components/entities/core/two_dimensional/vacuum.py,sha256=z9Bh5HpHb-oV6d2xLk69wbdgWpcRkCv_m4fCGm6mQG4,580
+mat3ra/esse/models/materials_category_components/entities/core/two_dimensional/vacuum.py,sha256=DQuk6wmCNzUgO8ryK7FuRwrz7zZ3hnISjzC4DPIhO6M,12185
 mat3ra/esse/models/materials_category_components/entities/core/zero_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/materials_category_components/entities/core/zero_dimensional/atom.py,sha256=3WX1b139aRToS55r7jWHCTETfXsMcM1CdJ2aqpnUZ_Y,1957
 mat3ra/esse/models/materials_category_components/entities/reusable/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/materials_category_components/entities/reusable/repetitions.py,sha256=MfRry1yBuzDjw_xIHIWHm8tk0XqixdbDrNpqgvBMCQY,784
 mat3ra/esse/models/materials_category_components/entities/reusable/three_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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-mat3ra/esse/models/materials_category_components/entities/reusable/three_dimensional/strained_uniform.py,sha256=sWOBuM4-NR9tOX-GXpWZBSRne5DW4exhT5FDHIhl6kQ,12072
-mat3ra/esse/models/materials_category_components/entities/reusable/three_dimensional/supercell.py,sha256=3cg_8SEi4FgJFNeEyVLdSaLELxwaVyGqPqQCBxJdTK4,12193
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 mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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 mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.py,sha256=CCmr2kn0L9Z-PqPPOXLHjYmHOOS_PtMu6fzblFJgYtQ,12256
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 mat3ra/esse/models/materials_category_components/operations/core/combinations/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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-mat3ra/esse/models/materials_category_components/operations/core/combinations/stack_component.py,sha256=J6GEhlq0t9TvGlqS83eOqcbb_4kHoDfRLIXSQPWtmxA,12303
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 mat3ra/esse/models/materials_category_components/operations/core/modifications/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/materials_category_components/operations/core/modifications/repeat.py,sha256=G0pT_vKMo3C9GnbRhGiDEJNDqbeDe_oJBl3WrnhUXEk,833
 mat3ra/esse/models/materials_category_components/operations/core/modifications/strain.py,sha256=-ofQnUtBVVf-AjO7h2Gc15qGFR6GF8P5x0s0lFkrSiw,577
@@ -441,25 +441,25 @@ mat3ra/esse/models/properties_directory/non_scalar/file_content.py,sha256=4sLUkz
 mat3ra/esse/models/properties_directory/non_scalar/hubbard_u.py,sha256=D54t-aVR681xVuXUsaHboyrOPWWuamNrpEEFrLDCT5g,851
 mat3ra/esse/models/properties_directory/non_scalar/hubbard_v.py,sha256=cPf7FiOgOUi1ozzirTq4tomjqWxAlk6zybuhsYrba1w,1256
 mat3ra/esse/models/properties_directory/non_scalar/hubbard_v_nn.py,sha256=xDW1U9JsHKdoPZlTPmm-mDepEqHoOEomQNFDc1pPtbk,1278
-mat3ra/esse/models/properties_directory/non_scalar/phonon_dispersions.py,sha256=QysNrth3l4bEwd5LkuqJeNVwINWGV8L_6qef8SQ3wFc,1382
-mat3ra/esse/models/properties_directory/non_scalar/phonon_dos.py,sha256=I8225Mn68sjSA944YJl4LvQ6WL7yH-N0Pa9jh_b2GR8,1403
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 mat3ra/esse/models/properties_directory/non_scalar/potential_profile.py,sha256=4_U9JxGoTN6O81IhdZU3O8QMjNLdpXTw8O-ueTvEIj8,1384
 mat3ra/esse/models/properties_directory/non_scalar/reaction_energy_profile.py,sha256=-vSlIz6eI38cijkRYXCoCP5L55f9zM9Z3VLICdpzbi8,1421
 mat3ra/esse/models/properties_directory/non_scalar/stress_tensor.py,sha256=dFsa5qUQo8PDiZG_tZ-DQX7YiXflvb_gcGQHm9NXmMc,758
-mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py,sha256=kzGeDlzZIL7OWzXIeUlHqYQ-RPbIA-PgwQL9fzKNspQ,4464
-mat3ra/esse/models/properties_directory/non_scalar/vibrational_spectrum.py,sha256=4PQl3X_hqMFT7pvdSoe2dhBe_oGQK5El-dBE6Qtk7Bw,1564
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 mat3ra/esse/models/properties_directory/scalar/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/properties_directory/scalar/electron_affinity.py,sha256=mZ_C7hSZoP7X-PnOAiDzVGzqGxJhSbzFn5Xa-zWFJdU,612
 mat3ra/esse/models/properties_directory/scalar/fermi_energy.py,sha256=ZdTL4qFvrjzzFTbc9uXad4HhfyZ9NGlNTc_ckqrnUNM,592
 mat3ra/esse/models/properties_directory/scalar/formation_energy.py,sha256=5Z-xG3fDHLF1kGmJ4hCNnMNgSOmsF-10NAo1Y3NGkf0,608
 mat3ra/esse/models/properties_directory/scalar/ionization_potential.py,sha256=mAtCohwWcKgteQXJ165SaNBe22ODn5s1Sm_eb9Kjolw,624
 mat3ra/esse/models/properties_directory/scalar/pressure.py,sha256=I6OrUOgvCUmXr1dD7Gfn17wAObEWVJW5vy6bdHf5qYE,443
-mat3ra/esse/models/properties_directory/scalar/reaction_energy_barrier.py,sha256=3D0C5z5vkc49yD8nYPw09Ei8fC32Qkaf6F1B9uLjaHI,635
-mat3ra/esse/models/properties_directory/scalar/surface_energy.py,sha256=JR8w_mAI169UTf9IrhTJPFmo-AJa8LF_qk5bgS2_34U,600
-mat3ra/esse/models/properties_directory/scalar/total_energy.py,sha256=9XZl68knWcbA-LIDVLlu5nZD5JAyZVEYzn0-aux_m3g,592
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 mat3ra/esse/models/properties_directory/scalar/total_force.py,sha256=l8X_eaNZNgm5rT_vEsNm5uaxBhAs3zGAcY-3MQHKLss,581
-mat3ra/esse/models/properties_directory/scalar/valence_band_offset.py,sha256=hQmeSt2hdwNmjB8ZpdHqXkeTE9OqFTKeCVJq2mXBJk8,619
-mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py,sha256=EhFVo08L1G0P_RmLZEiURxOiaHnMKGRZqy6fHMiTUEM,613
+mat3ra/esse/models/properties_directory/scalar/valence_band_offset.py,sha256=GZEID1R0eseu4uGyY7OOwgNrbdiaFFe1OvNb5HauXAc,621
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 mat3ra/esse/models/properties_directory/structural/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/properties_directory/structural/atomic_forces.py,sha256=yPM70FgjTSditbp9BweIRO6eqIPjUyLn0lZfK7c2iDw,900
 mat3ra/esse/models/properties_directory/structural/density.py,sha256=5DnHGdXovz-hGHM8EZBzeWM5s8_oaTZ16V1_p-UfvNw,439
@@ -467,7 +467,7 @@ mat3ra/esse/models/properties_directory/structural/elemental_ratio.py,sha256=wgP
 mat3ra/esse/models/properties_directory/structural/inchi.py,sha256=xCi4OEhXn8ie3zzA2W8fIM3lXNMxgk75tiZYFoQs1us,366
 mat3ra/esse/models/properties_directory/structural/inchi_key.py,sha256=bxthmbu3SOeuloWXgFnIOdKtf4cokXVIP_y8Ya9Pe08,381
 mat3ra/esse/models/properties_directory/structural/magnetic_moments.py,sha256=sgvKUcrr5iVhWTbalWt_-aGxUo9MFU9qLivCfmbr-nI,774
-mat3ra/esse/models/properties_directory/structural/molecular_pattern.py,sha256=2oDFx2MLr9sK2n_PlJVJzwkv2tAT3fmLBeZwefO1eys,1793
+mat3ra/esse/models/properties_directory/structural/molecular_pattern.py,sha256=A0rzbku9mEXMt6HY-x1rz0UPTifBLzo0lW9JiOLWbMA,1793
 mat3ra/esse/models/properties_directory/structural/p_norm.py,sha256=A6EJUYY6dzGH7Uq1jTCLj42ePRPSsg7pE4dOL3bxQmA,445
 mat3ra/esse/models/properties_directory/structural/symmetry.py,sha256=aJLmfkhOBRXsJRUacU49465EEa0P_rRU8Dq8lDRFjO8,840
 mat3ra/esse/models/properties_directory/structural/volume.py,sha256=nxXXQKaknwfKp43tslUza_lpa2BPpLrrIvwoq4C1ca8,443
@@ -636,8 +636,8 @@ mat3ra/esse/models/workflow/unit/runtime/_runtime_item_name_object.py,sha256=CIb
 mat3ra/esse/models/workflow/unit/runtime/_runtime_item_string.py,sha256=VouM6ETdIKTiktSTeEpP2pdHZuYHwHrir4W5TLoO_sE,354
 mat3ra/esse/models/workflow/unit/runtime/runtime_item.py,sha256=PujG7jcL8RDok9RSJiEKEB85-uGLoimVnK2k7gqyf2I,471
 mat3ra/esse/models/workflow/unit/runtime/runtime_items.py,sha256=Yi53LFKBWqx8oGA1Po38ulfSy-QaBP38VwWk45Q7ZJQ,943
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-mat3ra_esse-2025.6.5.post0.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
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