mat3ra-esse 2025.5.17.post0__py3-none-any.whl → 2025.5.17.post2__py3-none-any.whl

{mat3ra_esse-2025.5.17.post0.dist-info → mat3ra_esse-2025.5.17.post2.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: mat3ra-esse
-Version: 2025.5.17.post0
+Version: 2025.5.17.post2
 Summary: Excellent Source of Schemas and Examples.
 Author-email: "Exabyte Inc." <info@mat3ra.com>
 License: # LICENSE

{mat3ra_esse-2025.5.17.post0.dist-info → mat3ra_esse-2025.5.17.post2.dist-info}/RECORD

@@ -2,17 +2,18 @@ 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=ThOlaFxBZCJs3v8fSBP0XQZw0HL4JTi6KloWdIqx7hI,54800
+mat3ra/esse/data/examples.py,sha256=81JgqrLeBsaQXoX5420k8Ho4OA-VadBTKI9Gs5jP6BY,72446
 mat3ra/esse/data/properties.py,sha256=geWFIVIJbdn2Q_JG3Mz36oQ_dXeZZwnmlS_NgszvHUY,6099
-mat3ra/esse/data/schemas.py,sha256=dLxU-CGYrq0TTfJOwpnd5ghhDKZqwp8I-vl6VLIGY8U,1779407
+mat3ra/esse/data/schemas.py,sha256=aqXwFShvA2rX2a4mJBMMPvQXQrySTVQzKPw9N-y4sbI,1963629
 mat3ra/esse/models/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/element.py,sha256=BkbJnlxQ9b1uE9p9C4RfmTc5xCQ0Jzue66lSNHrHohw,2944
+mat3ra/esse/models/coordinates_shape_enum.py,sha256=YePazJ_MnDUPF9IwnaiQza0w0DLPm_WpGImQK3TuKGo,319
+mat3ra/esse/models/element.py,sha256=x-_wbyuTIWxUo2rby0cpGV7FjVQsBA3dQI11ARb7Db0,2948
 mat3ra/esse/models/project.py,sha256=fqUckRBLyCzVc_77-EtQUg_zFDV_zTYfnLmOoE77zPE,1148
 mat3ra/esse/models/apse/db/nist_jarvis/2024_3.13/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 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=Tz5Mz5r9W1qKZCoV-9NDsMMzzXWxzPBoA00kDFVeJis,74723
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw_x.py,sha256=Ivmy8hwsyMar2sofQ1xon1j7CGq5GfK7Caf98qZwqj0,74723
 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
@@ -90,11 +91,12 @@ mat3ra/esse/models/core/reusable/atomic_string.py,sha256=HGERo3jqAURe_kWKQS4_fk8
 mat3ra/esse/models/core/reusable/atomic_strings.py,sha256=wvZwjAKPTfhD1RZk59G6t1-yQZZNpoKWxVca63QAeFo,631
 mat3ra/esse/models/core/reusable/atomic_vector.py,sha256=_XJEynxYb3CobXK3FX7tacIYBbVM2wdD6PsMPcBhd9M,430
 mat3ra/esse/models/core/reusable/atomic_vectors.py,sha256=AbeH2EwEG07Pzah_ZTdo9k0HPtZW9wfB-ztybUG1zg4,587
+mat3ra/esse/models/core/reusable/axis_enum.py,sha256=dyVkL-53ONey-3ZUGVGLLAlJahMmT8ketPO1k-Rg4Gg,219
 mat3ra/esse/models/core/reusable/band_gap.py,sha256=_L79BKX80sAH7ZuyxFSdomJLS2dq4iQJR4lNxe8xBEs,1168
 mat3ra/esse/models/core/reusable/categories.py,sha256=Z90c6gdSMUdEYwoThEyusMXb5ufqoQh-tISYafPWwME,1350
 mat3ra/esse/models/core/reusable/category_path.py,sha256=SFyMHOXwrIewKkr4lCZRfSO-oszEx29XEK6TuLJrBtQ,359
 mat3ra/esse/models/core/reusable/dielectric_tensor_component.py,sha256=_rr6oeTSxUp9iIwaDNt84oeu32_EMXB2vb-MeuxosjY,623
-mat3ra/esse/models/core/reusable/energy.py,sha256=qGAgrXgJrZWyt70pptomMlvLrSt8d6_DD7lWfI_FndQ,512
+mat3ra/esse/models/core/reusable/energy.py,sha256=juszF0zIxvqNIEpfRyWHoC6-N9sUv1PX3Fu_0oV1uHk,512
 mat3ra/esse/models/core/reusable/energy_accuracy_levels.py,sha256=ndCRZOzYZZ-Ok-mjANEKtvOuMSQvE2WzCXqXvrJrNtA,655
 mat3ra/esse/models/core/reusable/file_metadata.py,sha256=DyPL1zQJR3HTyOGgvQzE7BxasTCkVRffeG_4WKfxf-8,520
 mat3ra/esse/models/core/reusable/frequency_function_matrix.py,sha256=I4B-ukMJ_aGpP_PHDd63bW8Jav1mreGeMiLqtrElIno,429
@@ -105,6 +107,14 @@ mat3ra/esse/models/core/reusable/atomic_data/per_orbital.py,sha256=pd3oG1FfLevoA
 mat3ra/esse/models/core/reusable/atomic_data/per_orbital_pair.py,sha256=gLJkxLpRfNAixmVV1LCz-UHp-C55iq7SM7QJQnFSLWM,919
 mat3ra/esse/models/core/reusable/atomic_data/value_number.py,sha256=nEF8VBqob3JNGFogaJsaHWOchl_lGyh9MHDbFLF4h78,376
 mat3ra/esse/models/core/reusable/atomic_data/value_string.py,sha256=vwk-4oyLWQB7Qbw5dpUt79oaojZsJVlbZvPfp-3JH7U,348
+mat3ra/esse/models/core/reusable/coordinate_conditions/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/core/reusable/coordinate_conditions/base.py,sha256=L7zYSATgDrli55qZhAutLnzOUXCp1PqTxL8-0XRO940,497
+mat3ra/esse/models/core/reusable/coordinate_conditions/box.py,sha256=MldQtO6zNM-C40C4EKR8k4p29RaGGJh_Hc8N2gCTfX8,733
+mat3ra/esse/models/core/reusable/coordinate_conditions/cylinder.py,sha256=x9f179N27Ix8Djbj7MI_8XRkg02aMRNftZZclGV6-SU,721
+mat3ra/esse/models/core/reusable/coordinate_conditions/enum.py,sha256=qlOpxIW7i5SowG5-rLSz6DAqIOlIIvPrQyqYMGoZmCQ,337
+mat3ra/esse/models/core/reusable/coordinate_conditions/plane.py,sha256=hZHVpkgFEhuzuMXlvgsO7vntA1BGe_hm2W6pZWfkQ74,741
+mat3ra/esse/models/core/reusable/coordinate_conditions/sphere.py,sha256=-ZyoNpJTqu6i0EcWpV2t7n7OBuyFaGlICJFPbwpWsyk,660
+mat3ra/esse/models/core/reusable/coordinate_conditions/triangular_prism.py,sha256=JW6AQQFLK_mLfh3HQjSdQsIe409XHLzmyCjGCjrft08,929
 mat3ra/esse/models/core/reusable/energy_accuracy_levels/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
 mat3ra/esse/models/core/reusable/energy_accuracy_levels/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/core/reusable/energy_accuracy_levels/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py,sha256=rMNirWgvD2MCc8jWTZmXCDEbKOcBl4Do5-R9W-mJIM4,652
@@ -126,7 +136,7 @@ mat3ra/esse/models/in_memory_entity/named_defaultable_runtime_items.py,sha256=g7
 mat3ra/esse/models/job/__init__.py,sha256=tQXT9GQRHDoVyW9AmI_Sjkqg78fkKSb4tL6TmWn--m4,64815
 mat3ra/esse/models/job/base.py,sha256=QZzYedxsoGbqQvIgLhBsCQDWvTlTgXM64-Jcy-Z4umc,8088
 mat3ra/esse/models/job/compute.py,sha256=strKlGY8VnnnFij3KxxZr2Hozf2_zhujhTb4cQxP5KU,5501
-mat3ra/esse/models/material/__init__.py,sha256=Jg6TeT-SA-lLUwfWHlnMkwVqLziik-r3isPxtjXT_ns,11681
+mat3ra/esse/models/material/__init__.py,sha256=obWZRNO8eMaQdWsk3rB6TDnwo4Bv7qQv68V7QNjkTy8,11681
 mat3ra/esse/models/material/consistency_check.py,sha256=6fF96LF_xOwT4k47Ez3ADx3-yVnREgwY95N5aA12o0c,934
 mat3ra/esse/models/material/conventional.py,sha256=y6PGJsMs4ktea-q9LGZnRIYscFjfWjdZFmeyehAJdBE,303
 mat3ra/esse/models/material/builders/base/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
@@ -136,57 +146,66 @@ mat3ra/esse/models/material/builders/single_material/two_dimensional/slab/builde
 mat3ra/esse/models/material/builders/single_material/two_dimensional/slab/selector_parameters.py,sha256=1RpA1SmyVMGZOcOwW30Vl470e2nQFJNKhUSvyQBKmRo,2611
 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/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
+mat3ra/esse/models/material/reusable/coordinate_conditions/base.py,sha256=hJ1d7RipRxjQAa3X1mCLqJQDb7c_J75WZsjwRhjPHeI,501
+mat3ra/esse/models/material/reusable/coordinate_conditions/box.py,sha256=rmBBYJxNHm88JwLWt9dophRNDAJspUNNsPEs1_rUR5s,677
+mat3ra/esse/models/material/reusable/coordinate_conditions/cylinder.py,sha256=qyI2xEO47u69sW-Fytbzw7vfyA2PuTd5aMnp_EZ6drs,744
+mat3ra/esse/models/material/reusable/coordinate_conditions/plane.py,sha256=E-ty2O5JCPWlM4kQu4phYeNxk-GJiegV6kwi6h7ixfI,689
+mat3ra/esse/models/material/reusable/coordinate_conditions/sphere.py,sha256=TzA9skQ5GOEItZjlp3S2qCylZAhGFa6ZdF6qf3LJyuQ,676
+mat3ra/esse/models/material/reusable/coordinate_conditions/triangular_prism.py,sha256=5opNLpzZj2s_v_gUHROv-joE6sfG-Sx2hMky3-fzz3Y,843
 mat3ra/esse/models/material/reusable/slab/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/material/reusable/slab/enums.py,sha256=ahZsneu0LQal4eYK3wo1YbFZKogytxYYMm0DEh8e4KQ,252
 mat3ra/esse/models/material/reusable/slab/miller_indices.py,sha256=FIqFq2U34Q0g5zA8QF9twGHEc3vbkeyJb8fcexQJn8Q,467
 mat3ra/esse/models/material/reusable/slab/number_of_layers.py,sha256=-tw5Z2q1eIXe3rm3XOCI_ux31QS6463sb3n0qHQ8Tkc,440
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 mat3ra/esse/models/material/reusable/slab/termination.py,sha256=-Zh961QVKipjdbEgcD5Ddqjyftyo0ikNNiUl9334rEo,2364
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 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
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 mat3ra/esse/models/materials_category/defects/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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 mat3ra/esse/models/materials_category/defects/by_host/two_dimensional/adatom/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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 mat3ra/esse/models/materials_category/defects/enums/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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 mat3ra/esse/models/materials_category/defects/enums/point_defect_type.py,sha256=Wsg5UOsO9cvpuATN0RMPIwuo8DsEBCQDa2X4pez22Ho,313
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 mat3ra/esse/models/materials_category/defects/one_dimensional/terrace/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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 mat3ra/esse/models/materials_category/defects/two_dimensional/island/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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-mat3ra/esse/models/materials_category/defects/two_dimensional/slab_grain_boundary/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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-mat3ra/esse/models/materials_category/defects/zero_dimensional/adatom/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/materials_category/defects/zero_dimensional/adatom/base_configuration.py,sha256=-U147Otr9n7CED5TKyejcaH8fLXPkCUIBoPjr5EThvA,10456
-mat3ra/esse/models/materials_category/defects/zero_dimensional/adatom/configuration.py,sha256=gr70EtIa9rnmFuoEh2mmm6m_Jj3o1QTExS8u2pu9rOU,10431
-mat3ra/esse/models/materials_category/defects/zero_dimensional/complex/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/materials_category/defects/zero_dimensional/complex/pair.py,sha256=FqxYnlPdufEQPg4wnMKgZKBCX8pc660uffyu0OF0JKo,33469
-mat3ra/esse/models/materials_category/defects/zero_dimensional/defect_pair/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/materials_category/defects/zero_dimensional/defect_pair/configuration.py,sha256=P1pZbjMW3spvK0YHUrl3IJP_VojjHYmtgSUTiU7Mzhc,26775
+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
+mat3ra/esse/models/materials_category/defects/zero_dimensional/complex/pair/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/materials_category/defects/zero_dimensional/complex/pair/configuration.py,sha256=lS0TGkwNhfpFlSHoCLpVbqsPCaQbVbzwL0oFnsc4_3s,33490
 mat3ra/esse/models/materials_category/defects/zero_dimensional/point/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/materials_category/defects/zero_dimensional/point/base_configuration.py,sha256=v9wGMjyrHcAl1TVuDl-aMWP-QIsfzM1lczo-dE8MeaY,870
-mat3ra/esse/models/materials_category/defects/zero_dimensional/point/configuration.py,sha256=Gy7sWvQSWUNwlhlcDQ7TAfbyJdvBU5_Dq0PPtWZcnCA,13995
+mat3ra/esse/models/materials_category/defects/zero_dimensional/point/configuration.py,sha256=8yrw_WxsGg_s8b5gPV_5OF26gDj0mgNx8jzV-Spcc8c,13995
 mat3ra/esse/models/materials_category/defects/zero_dimensional/point/interstitial/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/materials_category/defects/zero_dimensional/point/interstitial/configuration.py,sha256=lDrwc13UQpnWr4wNwR0nEN17JFUqYxRKLp1hnERtjxI,14040
+mat3ra/esse/models/materials_category/defects/zero_dimensional/point/interstitial/configuration.py,sha256=K-wsFIFxJI3_WtH6ZdhV3yIRD5yKV4nsn4yMB3BJq1o,14040
 mat3ra/esse/models/materials_category/defects/zero_dimensional/point/substitution/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/materials_category/defects/zero_dimensional/point/substitution/configuration.py,sha256=lNZcty5QMn2kCbz6ZbYCUFT3t3ZASSTqiqePF8W9tMk,14040
+mat3ra/esse/models/materials_category/defects/zero_dimensional/point/substitution/configuration.py,sha256=tlfIMAonNwQLv4Jax_xssBR8vEE0yThxplwdCbVoy8o,14044
 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=rwe0oJhuRiRHmJux5fwAmHMNtcmfizgiiAbwQC_nraM,14025
-mat3ra/esse/models/materials_category/defects/zero_dimensional/slab/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/materials_category/defects/zero_dimensional/slab/configuration.py,sha256=a-ib5sO9Sjn1PlbK0_kYBBonzJtbfnK6aaCeh0jOWlE,11018
+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/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=5DURmT0rsZe_ZV31G4SkLUEzXkpWWru49m2tE63TV8w,13161
+mat3ra/esse/models/materials_category/single_material/two_dimensional/slab/configuration.py,sha256=gG-dtEKQPSJgGFIjTu41er0By7B1iVFMWE2qiIMU2OI,13098
 mat3ra/esse/models/method/__init__.py,sha256=KErSMWtloFyYMkQVa8lWT-fox0LgnDD3395K9aLbNNY,668
 mat3ra/esse/models/method/categorized_method.py,sha256=f2dQIPERDoY61WL-KR_6dmAftRyPv_d_J6XSaV5yjqE,2479
 mat3ra/esse/models/method/method_parameters.py,sha256=CH4qkchLAsq_L0iaet5dESnbTePbQYfXK47U8MemrxQ,1086
@@ -366,7 +385,7 @@ mat3ra/esse/models/models_directory/legacy/dft.py,sha256=4S3t0S0Mbj1Vo2QqfZMJO3S
 mat3ra/esse/models/models_directory/legacy/ml.py,sha256=QRKfPsxElrbdDBLMCzcKtQ8dMqwes3IqiI4udyKGjJ0,1112
 mat3ra/esse/models/models_directory/legacy/unknown.py,sha256=GxE6kGWW1vv_gRNbatQcvgt0V5RVayroQVLclPs19Lk,1134
 mat3ra/esse/models/properties_directory/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/properties_directory/derived_properties.py,sha256=nu8IuB33ClDt8G-Su1zrJX80_MsVX3FTYrkE5An_-kw,3010
+mat3ra/esse/models/properties_directory/derived_properties.py,sha256=MHZ3KILXoHX7zndLxRc_eQF2XfWHVGpf2FQy6i1Pea0,3017
 mat3ra/esse/models/properties_directory/electronic_configuration.py,sha256=B0BdTCuUf25tXd2w2kJyLtnfNJwWUnl6tYhXeZvwFjQ,480
 mat3ra/esse/models/properties_directory/elemental/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/properties_directory/elemental/atomic_radius.py,sha256=VsSKIbLYl9GseztXyzggDAMyMH0qJ3s_9IS8lxYKz88,591
@@ -377,31 +396,31 @@ mat3ra/esse/models/properties_directory/non_scalar/average_potential_profile.py,
 mat3ra/esse/models/properties_directory/non_scalar/band_gaps.py,sha256=7ypgPAH8RgGlntishJctQeAFDsjBUbSoZ0GfRwue85I,1817
 mat3ra/esse/models/properties_directory/non_scalar/band_structure.py,sha256=W7-ZbbqDqEC42glSrpzvR__UvKeEA7rWEM5kDrp97BY,1588
 mat3ra/esse/models/properties_directory/non_scalar/charge_density_profile.py,sha256=PSA9V0WCP0Zur_OmzFPLD_3X8Ovttl1z4yzMeWBDOy8,1295
-mat3ra/esse/models/properties_directory/non_scalar/density_of_states.py,sha256=1Skq2pXK1rwpQDNXmumfFuF8pGltE11mCX4O_nsstiA,2010
+mat3ra/esse/models/properties_directory/non_scalar/density_of_states.py,sha256=DyAUqsNcbX84B40HKlhuxzb-iiZ4LgYnHOCaIVtD0FE,2010
 mat3ra/esse/models/properties_directory/non_scalar/dielectric_tensor.py,sha256=_1KlHVqxzjgh9Z36kpsjeHRi-SsjxhmLWt8wMYi_6rc,807
 mat3ra/esse/models/properties_directory/non_scalar/file_content.py,sha256=4sLUkzH_EQ-aViO7aCxhPgNDXIAr2MqfF6vQfZaC6pc,1429
 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=tp77uuAKFfHR6WSTePBYjZzeVQvPhb35nlw_MdoEspA,1382
-mat3ra/esse/models/properties_directory/non_scalar/phonon_dos.py,sha256=1spxI8O-zHQbsyd5Rd7TWl3s9VP2Bu1aQWVmURqS8_Q,1403
+mat3ra/esse/models/properties_directory/non_scalar/phonon_dispersions.py,sha256=ZNNLsaBEGWVV3xl06PnFwPv5IeXbtCgN6gIYH4dYgl4,1382
+mat3ra/esse/models/properties_directory/non_scalar/phonon_dos.py,sha256=9ivIikx1THXE2tKQVL4JUu6tLoyQeFbbo6tVhCnMKBw,1403
 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=adCWQ6kk7P9OzLbl69UA6Xn1dDa3yN2aarZLEg_k_l4,4464
-mat3ra/esse/models/properties_directory/non_scalar/vibrational_spectrum.py,sha256=HxQzNK9nTg-Ry1chN4hkJknDi-YZzCXlBRFCHQf2D1Q,1562
+mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py,sha256=nP1z-PTbJU6jCXcOmP_-iJ6Ph5FJDyBFBzpY0_RM19k,4464
+mat3ra/esse/models/properties_directory/non_scalar/vibrational_spectrum.py,sha256=g_sSDeyb9Ox91wfFD_kFObG-m92vGlovXsVIGfvAzxw,1564
 mat3ra/esse/models/properties_directory/scalar/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/properties_directory/scalar/electron_affinity.py,sha256=4qE8A7FOkee3-P3pYsHxQ0fFYy_Z1uLS2Nxjqc2nX04,612
-mat3ra/esse/models/properties_directory/scalar/fermi_energy.py,sha256=7FzkZGoAmO-NZsFTa-bt1PexLg2SgpmU1T5OgnmKvEg,592
-mat3ra/esse/models/properties_directory/scalar/formation_energy.py,sha256=Hau0IGtPnMYkz5iBt7Gs06EqTOQgXX4iU7Nc3SZtOQ8,608
-mat3ra/esse/models/properties_directory/scalar/ionization_potential.py,sha256=A4zXxYMyLmskW-Io3ufvclzsyk6UUonxlmkLKNn9ieo,624
+mat3ra/esse/models/properties_directory/scalar/electron_affinity.py,sha256=54zoAN81uZFh_WfRoJr7w2-wH2hkjnc4_GaZruXI8IY,612
+mat3ra/esse/models/properties_directory/scalar/fermi_energy.py,sha256=qRspa7NBhhx6kB-fFMUnWPEfrzbBffNnroL2okFug3c,592
+mat3ra/esse/models/properties_directory/scalar/formation_energy.py,sha256=FOkMK4LPwQdGd-qazVR1A13U_ZX3Oa6Lft-n1Fpj6xQ,608
+mat3ra/esse/models/properties_directory/scalar/ionization_potential.py,sha256=ColHXwIWC_P6feWeE5xZDEnbnj2W7Lt0J8_grsHHfrk,624
 mat3ra/esse/models/properties_directory/scalar/pressure.py,sha256=I6OrUOgvCUmXr1dD7Gfn17wAObEWVJW5vy6bdHf5qYE,443
-mat3ra/esse/models/properties_directory/scalar/reaction_energy_barrier.py,sha256=8VDAWeE8Q4Paj96mq3YTRoV6hGBUVbyR3lQBFashds8,635
-mat3ra/esse/models/properties_directory/scalar/surface_energy.py,sha256=nXwX95qA8ON06D_OCn6KVMsgB5EZyuNZdezACp49upA,600
-mat3ra/esse/models/properties_directory/scalar/total_energy.py,sha256=86ImesKD5rSsnOKGUywQM9HyrdUtTiOWBgbfIe2YK_I,592
+mat3ra/esse/models/properties_directory/scalar/reaction_energy_barrier.py,sha256=M3hqr9LPrm8vYMKDgA1HxqOAS7jkkCz-fKCt862bHYs,635
+mat3ra/esse/models/properties_directory/scalar/surface_energy.py,sha256=GJZsszmpSzHtuesZYTD9W7Ar_vDwN6LLFcKfLdt1HGQ,602
+mat3ra/esse/models/properties_directory/scalar/total_energy.py,sha256=WKk2ToylFA8mqGJZoT6bBmb_al2QYMcUEQ57NQy8YgE,594
 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=uLA6zm2S-AXiupOTHObJmdpP4PPMl5rBgKR_wMxJZ8o,619
-mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py,sha256=CTHmszzH5cSpMhTMAFMpnCcFy7IU35FjHo8DX6wwX5g,611
+mat3ra/esse/models/properties_directory/scalar/valence_band_offset.py,sha256=inGZTPJAfQ1Em-2-IoKGJoxbIL6hMF_ssvqgHGGByNg,621
+mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py,sha256=OhvFPw8LHOEConNPTpVl54YjFu2X_AkM4qBKSIP2-GY,613
 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
@@ -409,7 +428,7 @@ 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=A0rzbku9mEXMt6HY-x1rz0UPTifBLzo0lW9JiOLWbMA,1793
+mat3ra/esse/models/properties_directory/structural/molecular_pattern.py,sha256=UIhwS2W9vO_dO63P60NlscUJHnYq9YkUx6PEal9u77k,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
@@ -441,7 +460,7 @@ mat3ra/esse/models/properties_directory/structural/patterns/ring.py,sha256=vZ7ts
 mat3ra/esse/models/properties_directory/structural/patterns/special_bond.py,sha256=KnVmYAti3CfLIds1wVM8qW_cN75VGGdWQ7Ew3VFPpSE,742
 mat3ra/esse/models/properties_directory/workflow/convergence/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/properties_directory/workflow/convergence/electronic.py,sha256=MuMgO1Gq1285cvnjASCcFsHOD2ArcSjrV2OOWISF-M4,558
-mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py,sha256=1fl3oDEDH4jnT_CtBAqY-HwUnJMi1OYUjrZhqfWqVaQ,1306
+mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py,sha256=llKFUs2fVXFZ14WOW3rzZewKOH1UH7TFSHIpNgl0dd4,1306
 mat3ra/esse/models/properties_directory/workflow/convergence/kpoint.py,sha256=zQi62_9dhbhFfN-iaqvzftnuYWG8-iVKmVYIDID0v8w,915
 mat3ra/esse/models/property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/property/base.py,sha256=mb5Q1XgYt7WrFhUir0O99ufQNzhiJog0yfoqECokquA,5003
@@ -578,8 +597,8 @@ 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
-mat3ra_esse-2025.5.17.post0.dist-info/licenses/LICENSE.md,sha256=CBGo1CDw-8EWCk7x9HOiF-OShdnHY6j__TjFyZPpQME,563
-mat3ra_esse-2025.5.17.post0.dist-info/METADATA,sha256=JqIBHiIdcnXYnWG4CANlAg0tozd3PXhklQLuei6CDZI,9000
-mat3ra_esse-2025.5.17.post0.dist-info/WHEEL,sha256=Nw36Djuh_5VDukK0H78QzOX-_FQEo6V37m3nkm96gtU,91
-mat3ra_esse-2025.5.17.post0.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
-mat3ra_esse-2025.5.17.post0.dist-info/RECORD,,
+mat3ra_esse-2025.5.17.post2.dist-info/licenses/LICENSE.md,sha256=CBGo1CDw-8EWCk7x9HOiF-OShdnHY6j__TjFyZPpQME,563
+mat3ra_esse-2025.5.17.post2.dist-info/METADATA,sha256=c9zW8bqEcgVxvg8N7DBbPpOU3QjRVM3WUO8545EaWp0,9000
+mat3ra_esse-2025.5.17.post2.dist-info/WHEEL,sha256=Nw36Djuh_5VDukK0H78QzOX-_FQEo6V37m3nkm96gtU,91
+mat3ra_esse-2025.5.17.post2.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
+mat3ra_esse-2025.5.17.post2.dist-info/RECORD,,

mat3ra/esse/models/materials_category/defects/enums/atom_placement_method.py

@@ -1,22 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  materials_category/defects/enums/atom_placement_method.json
-#   version:   0.28.5
-
-from __future__ import annotations
-
-from enum import Enum
-from typing import Optional
-
-from pydantic import BaseModel
-
-
-class AtomPlacementMethod(Enum):
-    coordinate = "coordinate"
-    closest_site = "closest_site"
-    equidistant = "equidistant"
-    crystal_site = "crystal_site"
-    voronoi_site = "voronoi_site"
-
-
-class AtomPlacementMethodEnum(BaseModel):
-    atomPlacementMethod: Optional[AtomPlacementMethod] = None

mat3ra/esse/models/materials_category/defects/enums/complex_defect_type.py

@@ -1,18 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  materials_category/defects/enums/complex_defect_type.json
-#   version:   0.28.5
-
-from __future__ import annotations
-
-from enum import Enum
-from typing import Optional
-
-from pydantic import BaseModel
-
-
-class ComplexDefectType(Enum):
-    pair = "pair"
-
-
-class ComplexDefectTypeEnum(BaseModel):
-    complexDefectType: Optional[ComplexDefectType] = None

mat3ra/esse/models/materials_category/defects/enums/coordinates_shape.py

@@ -1,21 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  materials_category/defects/enums/coordinates_shape.json
-#   version:   0.28.5
-
-from __future__ import annotations
-
-from enum import Enum
-from typing import Optional
-
-from pydantic import BaseModel
-
-
-class CoordinatesShape(Enum):
-    sphere = "sphere"
-    cylinder = "cylinder"
-    rectangle = "rectangle"
-    triangular_prism = "triangular_prism"
-
-
-class CoordinatesShapeEnum(BaseModel):
-    coordinatesShape: Optional[CoordinatesShape] = None

mat3ra/esse/models/materials_category/defects/enums/slab_defect_type.py

@@ -1,19 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  materials_category/defects/enums/slab_defect_type.json
-#   version:   0.28.5
-
-from __future__ import annotations
-
-from enum import Enum
-from typing import Optional
-
-from pydantic import BaseModel
-
-
-class SlabDefectType(Enum):
-    island = "island"
-    terrace = "terrace"
-
-
-class SlabDefectTypeEnum(BaseModel):
-    slabDefectType: Optional[SlabDefectType] = None

mat3ra/esse/models/materials_category/defects/enums.py

@@ -1,13 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  materials_category/defects/enums.json
-#   version:   0.28.5
-
-from __future__ import annotations
-
-from typing import Any
-
-from pydantic import RootModel
-
-
-class ESSE(RootModel[Any]):
-    root: Any