mat3ra-esse 2025.7.1.post0__py3-none-any.whl → 2025.7.29.post0__py3-none-any.whl

{mat3ra_esse-2025.7.1.post0.dist-info → mat3ra_esse-2025.7.29.post0.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: mat3ra-esse
-Version: 2025.7.1.post0
+Version: 2025.7.29.post0
 Summary: Excellent Source of Schemas and Examples.
 Author-email: "Exabyte Inc." <info@mat3ra.com>
 License: # LICENSE
@@ -156,9 +156,9 @@ When developing in python the following should be taken into account:
 1. The modules containing the schemas and examples are generated using the [build-schemas.py](./build_schemas.py) script. There is a setup for it to be run automatically on every commit, but it is recommended to run it manually before committing to make sure that the changes are reflected in the modules. This can be done with `pre-commit run --all-files`. The pre-commit package can be installed with `pip install pre-commit`. To rebuild schemas manually, run (note `-e` in install):
 
     ```bash
-    virtualenv .venv
+    python -m venv .venv  
     source .venv/bin/activate
-    pip install -e ."[tests]"
+    pip install -e ".[tests]"
     pip install pre-commit
     pre-commit --install
     git config --unset-all core.hooksPath
@@ -168,9 +168,9 @@ When developing in python the following should be taken into account:
 2. Tests can be run using the following commands:
 
     ```bash
-    virtualenv .venv
+    python -m venv .venv  
     source .venv/bin/activate
-    pip install ."[tests]"
+    pip install ".[tests]"
     python -m unittest discover --verbose --catch --start-directory tests/py/esse/
     ```
 

{mat3ra_esse-2025.7.1.post0.dist-info → mat3ra_esse-2025.7.29.post0.dist-info}/RECORD

@@ -2,17 +2,17 @@ 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=0mxPYRoZ-5_JANeC77Xg67OON8sHTnPi-I0WRS4YA7s,60952
+mat3ra/esse/data/examples.py,sha256=jF982VT49a5-1eFOmnXKZtEHu6mKW8nYXOdLvHEVzUY,147700
 mat3ra/esse/data/properties.py,sha256=geWFIVIJbdn2Q_JG3Mz36oQ_dXeZZwnmlS_NgszvHUY,6099
-mat3ra/esse/data/schemas.py,sha256=bVaJZmsSiPCKL6PGVGJZhBQH6WpcKmEvK430k13r-8w,1925090
+mat3ra/esse/data/schemas.py,sha256=o1UufKwkoyUxtbeqFk_bmADqUFymygWSRcPz--FBks0,3391019
 mat3ra/esse/models/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/element.py,sha256=n_06XRiBOS9Tq_z08YGu5_nZDuqLnkxsfAe9mqYON2s,2944
+mat3ra/esse/models/element.py,sha256=feq5AcyAG_LF0JNu1Sv5Jgej2GIJYKWrQUmIcz2gJN4,2950
 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=s62z9GfPl3OK9U24M-ExKkfaSHKRestBrNreOutoi6U,74723
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw_x.py,sha256=gU5JM-f7uvRk8kz5ayScvIHjwI8lyQZpCHfWJ5ob0gM,74729
 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
@@ -35,10 +35,12 @@ mat3ra/esse/models/core/abstract/coordinate_2d.py,sha256=VY2G33pQx_QYF-njFFk3Yhg
 mat3ra/esse/models/core/abstract/coordinate_3d.py,sha256=9FF3YH5uQQCKH2ta4hklogqj9Zw8qWK7sR5fJPjABhg,349
 mat3ra/esse/models/core/abstract/kpoint.py,sha256=qs_3FgLXwkaCW3XyCATTcGoeB2DWAQzVMnhPt04Nvhw,404
 mat3ra/esse/models/core/abstract/matrix_3x3.py,sha256=7Ob8lg7Uq33R0dVO7XYgp4AvDyffg8UeeCW8qXzdqOQ,526
+mat3ra/esse/models/core/abstract/vector_2d.py,sha256=glgkqggX96brGldtAZrmJOuwQlTU_d1i09pdqZHADWg,337
 mat3ra/esse/models/core/abstract/vector_3d.py,sha256=gty27LKhdm35AR6PjWvO8Ccq5p4eqe25At-h7-OAteI,337
 mat3ra/esse/models/core/abstract/vector_boolean_3d.py,sha256=GbByG75y034HscvSsE9tIo178Mri-ZeNFOMfZbXKjZ0,313
 mat3ra/esse/models/core/primitive/_1d_data_series.py,sha256=axKdgsXgeF95sKcBtWKS5EUJIx82uI6kN0YNMbU_pYY,389
 mat3ra/esse/models/core/primitive/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/core/primitive/array_of_2_numbers.py,sha256=gthQ3V7sAq-EmzV9z1patFBb5CZHmtCqMcghGNYUkUI,378
 mat3ra/esse/models/core/primitive/array_of_3_booleans.py,sha256=06YLYsvCD7BP5fNee8e07YKrNZVNsfh9RpvBMj-k7-A,379
 mat3ra/esse/models/core/primitive/array_of_3_integers.py,sha256=L8Ufchk1rlzLkuFeFItAZTxr1HjD5cTD0WHVoCGXLoM,377
 mat3ra/esse/models/core/primitive/array_of_3_numbers.py,sha256=VjCYsMasQYN1agkBJelaVsBY3NK-fyuS0OobMGHjoNY,378
@@ -82,7 +84,7 @@ mat3ra/esse/models/core/reusable/band_gap.py,sha256=_L79BKX80sAH7ZuyxFSdomJLS2dq
 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=ZlYKLdxiljlWW5MWiW-tj-7RJPFlsSRpFsV6QgwEJD0,512
+mat3ra/esse/models/core/reusable/energy.py,sha256=ybBrQxC0Ik95_K2EJ7pG6VKSZdJBjLw4QxmahWq7X5s,514
 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
 mat3ra/esse/models/core/reusable/object_storage_container_data.py,sha256=LKvflErRqZIS2U4L586Dqkb5PN5BJd0oNUp2h0B4R4Q,834
@@ -111,16 +113,43 @@ mat3ra/esse/models/in_memory_entity/named.py,sha256=WtheTd6YeAfv_MA-hMu42B2Y0ev3
 mat3ra/esse/models/in_memory_entity/named_defaultable.py,sha256=bgydOU25QtBQvM28z6t30rBptbhWYu7vW0EISwxvRkc,758
 mat3ra/esse/models/in_memory_entity/named_defaultable_has_metadata.py,sha256=UUTNYPI9rhlxZvqz0vkpf7Tq_dvt5dl0qi4DEHr0Ljw,839
 mat3ra/esse/models/in_memory_entity/named_defaultable_runtime_items.py,sha256=g7MEuIogvwz7m1PxZO3Ded7QLkBaseXcVOYaO0aga48,1447
-mat3ra/esse/models/job/__init__.py,sha256=tQXT9GQRHDoVyW9AmI_Sjkqg78fkKSb4tL6TmWn--m4,64815
+mat3ra/esse/models/job/__init__.py,sha256=B-DqAodIR7lA0ETj6CqwKgHr342FdZfV-8n_sMnyUpI,65077
 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=XoCMo_vYulZhkJv_V7n4jaw8Ee3ZmVgjD71P6L0DOcw,11673
+mat3ra/esse/models/material/__init__.py,sha256=sXyeXaO8-JrbzhL5jO-j9xwl5D5nteVWUbHbmKGntGU,11687
 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/materials_category/compound_pristine_structures/two_dimensional/interface/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.py,sha256=fHYecDHSv7tptIusQb0VBzQ5L2hzRYE3fh0C5RcLqTY,137906
+mat3ra/esse/models/materials_category/defective_structures/one_dimensional/grain_boundary_linear/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.py,sha256=LyDRcWj2PFNa1R1GbviCedE1I7lAzYUo3iGcxACZOYA,137990
+mat3ra/esse/models/materials_category/defective_structures/two_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/materials_category/defective_structures/two_dimensional/base_configuration.py,sha256=NAvvdY-Y96fJJF2-dIQT_RUULnsba89HTeEcUB9QA7A,34124
+mat3ra/esse/models/materials_category/defective_structures/two_dimensional/adatom/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/materials_category/defective_structures/two_dimensional/adatom/configuration.py,sha256=ynmvR89obLl-jNQ2kN-xC8Pd8Vx2Gy-H--AprZI0hHA,45592
+mat3ra/esse/models/materials_category/defective_structures/two_dimensional/grain_boundary_planar/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.py,sha256=F1zS_yyNi_3JY1ImH9D04QGjoERzq5jYxko1GR7qnaI,137503
+mat3ra/esse/models/materials_category/defective_structures/two_dimensional/island/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/materials_category/defective_structures/two_dimensional/island/configuration.py,sha256=R8OOwNm8Ah5_A9RZ5oppT7tYpw203DSMGxAbymLUaB4,64642
+mat3ra/esse/models/materials_category/defective_structures/two_dimensional/terrace/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/materials_category/defective_structures/two_dimensional/terrace/configuration.py,sha256=GXKpFIYWDdxFS9wXuiQghzJN3U3a0wkPdl2AH0s1tjA,64817
+mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/base_configuration.py,sha256=I3pZiB4ivSxKo_8_VkOOmGk_GcKe-Q4bJSUfgd6JTHE,12135
+mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.py,sha256=asH3KjU0lJbMGJRSajX7zDz6lxlHMHnQwaitkaYQYs8,23526
+mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.py,sha256=meKr3iYfrsMgwLJgIZGFLVSuME25ZZs6DgbjqqofUQI,23532
+mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.py,sha256=KymJAPxACxQw_MdwoL3V4roJG35F1pBWcGUs7H-Rt6U,12365
 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/three_dimensional/ideal_crystal.py,sha256=6e7ID3_KvNx3qbRkuCiuHuNpZISCa_YrFke2W246SyM,11753
 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=-xN_Avv0ydJ2qNxv3xZwD452_PEDsTGx1ToD14nXf30,24933
+mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanoribbon.py,sha256=ve9P3IKmdOctoaC0jT-H3TTmLxlyFaLreeuY6veH1j8,34990
+mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanotape.py,sha256=OF96Z-MhVnu1Ds2nOZAosa3QlFz-R1P6Z-Mg3gmtFlo,25212
+mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab.py,sha256=zT-KjEw4a-WR6tlBZTfUQDKKYjgS9CC2pkCKV_my6n4,24456
+mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.py,sha256=45tjjHxVG-oTNHycHLaY1k_lSpCDooTbG13sW2Yi81c,25192
+mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab_strained_supercell_with_gap.py,sha256=5SwoxnvZvwciLCccInAcK2PRJJFzI6-q44PgSctLyk0,25353
+mat3ra/esse/models/materials_category/processed_structures/two_dimensional/passivation/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/materials_category/processed_structures/two_dimensional/passivation/configuration.py,sha256=YwwAGeWVP74mRIR-F6TXJQ5Amn7xc-3Fx8FeCuQY6YA,25469
+mat3ra/esse/models/materials_category_components/entities/auxiliary/one_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/materials_category_components/entities/auxiliary/one_dimensional/miller_indices_2d.py,sha256=DS2U7ib49w5uGrtpt4BsD86kmt2WZBACrk5FLfX-eE0,480
 mat3ra/esse/models/materials_category_components/entities/auxiliary/three_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/materials_category_components/entities/auxiliary/three_dimensional/supercell_matrix_3d.py,sha256=6VlpXs4gqlukSqaB4MHX2WSZQwGjbJvyIiKIw4yAdg4,898
 mat3ra/esse/models/materials_category_components/entities/auxiliary/two_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
@@ -128,31 +157,43 @@ mat3ra/esse/models/materials_category_components/entities/auxiliary/two_dimensio
 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=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/auxiliary/zero_dimensional/crystal_site.py,sha256=4lHrcjYfkW2x1NMIrX2yU_pVkmHT2e1yajxLWoIOFhY,12035
+mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.py,sha256=VcxSEo5hyqngVlqJ66mzDl23fdPmhkRIl152RpE3YSU,14031
+mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/void_region.py,sha256=3-J9HNUWtPvD7DRRoA1eDokso17RclnwCYSy442Nz5g,12597
+mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/void_site.py,sha256=Eyb9jZfc6DWOM1ECkCsycHWCwFNRZ-CqXZtKQtoI8lo,34945
 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/crystal.py,sha256=BBUz1QcXmTIsJFk3GKsn7MpRpTUX8-lKUEx4ULiLqtA,11747
 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=DQuk6wmCNzUgO8ryK7FuRwrz7zZ3hnISjzC4DPIhO6M,12185
+mat3ra/esse/models/materials_category_components/entities/core/two_dimensional/vacuum.py,sha256=8Ds3DlHEnrDaB_FuRaPNRf4pM3WB0OsSllV-tJUGZGY,12187
 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
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 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/one_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_base.py,sha256=wwUKYpZAb1tJh6-d8rWudAjmp5mF-gR89wws7nLa488,12064
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 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/two_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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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=JMxOvdKjNolVy1JHQF75bkpKDYM4iYHB058h0JmqE5c,21523
 mat3ra/esse/models/materials_category_components/operations/core/modifications/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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 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
 mat3ra/esse/models/method/__init__.py,sha256=KErSMWtloFyYMkQVa8lWT-fox0LgnDD3395K9aLbNNY,668
@@ -332,7 +373,7 @@ 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=UNiw9ni7w3LxQmkNWdX-qb0_xcgTFBK5Xn-sx1XyeRM,3010
+mat3ra/esse/models/properties_directory/derived_properties.py,sha256=9xpPhowOTL346Tx1UD10d6ecYcTxtDP05-eYKNaHiQc,3021
 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
@@ -343,31 +384,31 @@ 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=-MJbNha7ADfuPtB1J6grN0wGu-PFuYpOYmkU8OPOGjo,1590
 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=qO7fMAS23Qj9D_PT0s-UoJajvrTZBMi2RGF0k7n16nc,2010
+mat3ra/esse/models/properties_directory/non_scalar/density_of_states.py,sha256=VEwer9w_GT9JPY1xY_tz49J_8wfg5kDVpv24ulNWo0k,2012
 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
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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=apDF1aRN4JL05ykma_xRm3wePf7R6i4vcJUcV93SUdI,4464
-mat3ra/esse/models/properties_directory/non_scalar/vibrational_spectrum.py,sha256=v6CTCRRGxogyW61gqqFknKmng4VDjnYunhkuG_d4wwc,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
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 mat3ra/esse/models/properties_directory/scalar/pressure.py,sha256=I6OrUOgvCUmXr1dD7Gfn17wAObEWVJW5vy6bdHf5qYE,443
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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=GZEID1R0eseu4uGyY7OOwgNrbdiaFFe1OvNb5HauXAc,621
-mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py,sha256=9gK0UI71CS4cF3Ernm6pUe9WdYrq-BF68MTtYLHbXZg,613
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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
@@ -375,11 +416,11 @@ 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
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 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
-mat3ra/esse/models/properties_directory/structural/basis/__init__.py,sha256=Bd0Hp8RuYQBKyRRNF86ygSosfI_Isi1hQb60nNgzF8k,3170
+mat3ra/esse/models/properties_directory/structural/basis/__init__.py,sha256=jwKMVnUQBhnlbl4whizh_Rid7Jyqh_FjdvE0RZE1bpw,3170
 mat3ra/esse/models/properties_directory/structural/basis/atomic_constraint.py,sha256=MJfolJSgvQ4zPWZi36Y-9fUUkfSnVBKW0HCDhxsEfHM,441
 mat3ra/esse/models/properties_directory/structural/basis/atomic_constraints.py,sha256=GCngLkD-6_Xkn6WL0vqj5r14vJrnT-JE68TWMwCDAso,660
 mat3ra/esse/models/properties_directory/structural/basis/atomic_constraints_property.py,sha256=BqRWld9jbvPw2hUYMu83QbFoZNvfXt2o-_w_TBB_aeY,779
@@ -406,7 +447,7 @@ 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=qYDT_FprEKq8lQLmayQD9LoHvzDU9j3fGvDrmQi5K9M,1306
+mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py,sha256=xUFjTrJQ8tIZYjh7YVqOWs5wnizX9bT61gizG6rWh8A,1308
 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
@@ -424,17 +465,17 @@ mat3ra/esse/models/property/source/The_source_of_a_property/field_This_could_be_
 mat3ra/esse/models/software/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/software/application.py,sha256=_GYziemq6s_Cqvra7qT-ZdT_ib168hlqA7GxRS-KLk8,1359
 mat3ra/esse/models/software/executable.py,sha256=pLG2bpGO1baoOLNY1zK1AeNueSvSnJWqEVGRHejfex8,1630
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 mat3ra/esse/models/software/template.py,sha256=Vx1ZSRDGsZpICjfwwLuqZbIiUSVv6ziHmA0KVKg-wvg,1037
 mat3ra/esse/models/software_directory/ml/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/software_directory/ml/exabyteml.py,sha256=EZsHS_b2XShzzSP6DSW1L7v2THz6FlcN2Jj2kUYWiEA,582
 mat3ra/esse/models/software_directory/ml/unit/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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 mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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 mat3ra/esse/models/software_directory/ml/unit/processing/__init__.py,sha256=fLXqMvnLHQZNvphe8wn_w4sS1iXAmTnH7k0ctO4li68,6749
 mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/__init__.py,sha256=SmlsA0yfb4pla5gigrK_Yo03jgkTzwojTSxg3-gPhBs,3901
 mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/manipulation.py,sha256=ibzP1_EAN8-NN8sib5xpzJTNX9CWZB2yZYZd5XvHw48,3478
@@ -448,13 +489,13 @@ mat3ra/esse/models/software_directory/modeling/vasp.py,sha256=nAutKdGw4rnzzPVE5u
 mat3ra/esse/models/software_directory/modeling/espresso/__init__.py,sha256=buLYtcBmCwYAD0fUC05bRtfoeK2HAQsK04msdpDy6AI,808
 mat3ra/esse/models/software_directory/modeling/espresso/arguments.py,sha256=MVMYJEb_qQ8IkQjj3vuMBe2z0iF1BKxPzdGNRUyNIhg,2028
 mat3ra/esse/models/software_directory/modeling/unit/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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 mat3ra/esse/models/software_directory/scripting/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/software_directory/scripting/jupyter_lab.py,sha256=SP5FwLVFrP4ah3u1ilvGfjhJaQSUjea187qvHiSGUi4,1734
 mat3ra/esse/models/software_directory/scripting/python.py,sha256=_HxVAX-VE8FqkOFOz6rPdtgnpyiiGrwykim5sFBmRSM,2139
 mat3ra/esse/models/software_directory/scripting/shell.py,sha256=SID-msgkNSCsCVm6Ln5Zw0xMRkieOM2s0JUEOLeQak8,2051
 mat3ra/esse/models/software_directory/scripting/unit/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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 mat3ra/esse/models/system/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/system/_material.py,sha256=LHmGZ_o56EHi9BfVRwRpDNzDZQOYywWl_eb4vIEZzPc,522
 mat3ra/esse/models/system/_parent_job.py,sha256=14FFwVJCaWy4EOMmRzN-qSHOpJpQYx6NbeKl7tMGzOs,510
@@ -490,18 +531,18 @@ mat3ra/esse/models/system/status.py,sha256=q1j3BgkOZtTBEVf5-S-4xMteCfpZj23OeXTvk
 mat3ra/esse/models/system/tags.py,sha256=47rtLMx0uXWXt7SgC1oo_ULTFjAKNy6e-z5dRjA6BbE,297
 mat3ra/esse/models/system/timestampable.py,sha256=K_OjETeZlGTis8AHWbUDsWfElwdUVOmgb6rd3V01B90,515
 mat3ra/esse/models/system/use_values.py,sha256=NUupiTBXAV4o0ChySaGAgxIyMvMEoqnb3MUGN1MgSo8,264
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 mat3ra/esse/models/workflow/base.py,sha256=7dDTOLX9JmBJlimUj8UlCrmKHWNuaOMiQpHGEuS0-IY,1252
 mat3ra/esse/models/workflow/base_flow.py,sha256=cvAa8lNFHyOyVsqs1dqE6vieRcnET_7Hn-du93BnHKA,5987
 mat3ra/esse/models/workflow/scope.py,sha256=d_JktEhzg7Ls9LN01cT9kr-Lyv0i9OKZFm6grADKQN4,319
-mat3ra/esse/models/workflow/subworkflow/__init__.py,sha256=sKuAb3RWSJKLdxs8chy9f-w_xIWj4xHm0MczzyHu3z4,31928
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 mat3ra/esse/models/workflow/unit/assertion.py,sha256=xcHjoNLKKIVThQC0E_uLX8xgcFlRocEYmJm4sXpI-kU,2808
 mat3ra/esse/models/workflow/unit/assignment.py,sha256=iq24Xmh2vNqU2iKQRkhGhckNfT_W0CQU1e_AdFbenj8,3347
 mat3ra/esse/models/workflow/unit/base.py,sha256=FRFFm07xLOwsxmD8ycG_Lc2kMHNMVnmy5oPtvUG6j_o,2589
 mat3ra/esse/models/workflow/unit/condition.py,sha256=aJw8CUp8Z172Nu0PqKy1sQrsJzmyg5CJY6HswLacxCQ,3461
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 mat3ra/esse/models/workflow/unit/map.py,sha256=-BEEGsm8CsJ8jXRUVguWrqRb0VVYL77VHqEjvNgSGSg,3455
 mat3ra/esse/models/workflow/unit/processing.py,sha256=DyJe3LQ6k1CWmezkc0Vg5aB3_W53sDQPNh7kWqAb2io,2933
 mat3ra/esse/models/workflow/unit/reduce.py,sha256=nSu3YZOuruqwdzWxoTL8m8R5d5NIx9D3i27TqHvisW4,2992
@@ -523,8 +564,8 @@ 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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