mat3ra-esse 2025.6.5.post0__py3-none-any.whl → 2025.6.30.post0__py3-none-any.whl

{mat3ra_esse-2025.6.5.post0.dist-info → mat3ra_esse-2025.6.30.post0.dist-info}/RECORD

@@ -2,18 +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=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
 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=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
@@ -28,29 +27,17 @@ mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/system.py,sha256=k1G
 mat3ra/esse/models/apse/materials/builders/slab/pymatgen/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/apse/materials/builders/slab/pymatgen/parameters.py,sha256=P-6jXpG84bAsOMnr0EBSV-20MHpGViZOjcKSJqLVqxc,785
 mat3ra/esse/models/core/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/core/abstract/2d_data.py,sha256=QiWkaGXriph7QwLWF3LuRddSal7fLEakNMh2DkuCNCc,426
-mat3ra/esse/models/core/abstract/2d_plot.py,sha256=q2qJuDQ10UtiJvZcGzWWv9T9qHJ8HwP-kING3w6cUWM,812
-mat3ra/esse/models/core/abstract/3d_grid.py,sha256=agAv0nKNco8y2baN02wJBkMib6HkW5dKqPuN7hCFGD4,466
-mat3ra/esse/models/core/abstract/3d_tensor.py,sha256=B-xWWG5PoTfStseeaF27dcFWAcWJH02R9-5h8SgPHyg,564
-mat3ra/esse/models/core/abstract/3d_vector_basis.py,sha256=p7G-Qld7I6iGWdSjo4IgCj3-aq6zBOhOI3WZQOIjQ0g,564
 mat3ra/esse/models/core/abstract/_2d_data.py,sha256=Dgn_D-9Sq-9MDH51csL1-GBFkisSbwDGQlaYscnWHDk,426
 mat3ra/esse/models/core/abstract/_2d_plot.py,sha256=CikwQl8cFdoaJthwdT1kIvUcTnHk9QiOT9YgWo-TU28,812
 mat3ra/esse/models/core/abstract/_3d_grid.py,sha256=qJ6z7YI504zEWp81dOoYdBVBZDPFGuvD8VxfeEOmhgA,466
-mat3ra/esse/models/core/abstract/_3d_tensor.py,sha256=LS2yGo4DWMPp4As2jC3oeVO4RsueFAryaHTTL_lDWuI,563
-mat3ra/esse/models/core/abstract/_3d_vector_basis.py,sha256=ub2Gt2HJEQKIlmRv6XiK0-hQJ0lpo3RtT6yn_1vF1N8,564
 mat3ra/esse/models/core/abstract/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/core/abstract/coordinate_2d.py,sha256=VY2G33pQx_QYF-njFFk3Yhg_emT0datwlcqg9KppCYk,349
 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/point.py,sha256=NNKy1gnTZ8W-7y6-kckKHBHc1gwXvn5g5JSXQJ6yYlM,326
-mat3ra/esse/models/core/abstract/vector.py,sha256=B_jR0gFbWoC5ZUgUfUI8YZpFaqplZ0yj9jGt99yLhJg,338
 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=OvoNT1ByJxgB2bjYXnjLSOKD8Eh8FJXcYr3BrvwqT5A,389
-mat3ra/esse/models/core/primitive/3d_lattice.py,sha256=3X4l2NdAWcFpMXnqS22ORjf_Ww0BmphnB3wOv13S6G8,673
 mat3ra/esse/models/core/primitive/_1d_data_series.py,sha256=axKdgsXgeF95sKcBtWKS5EUJIx82uI6kN0YNMbU_pYY,389
-mat3ra/esse/models/core/primitive/_3d_lattice.py,sha256=B1V-vJnQ0_l4vvijdYBAiAzgxJS2mdLdsAukJibxjxg,673
 mat3ra/esse/models/core/primitive/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 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
@@ -83,13 +70,11 @@ mat3ra/esse/models/core/reference/literature/pages.py,sha256=YiXN93a288PnuJ_Ur8e
 mat3ra/esse/models/core/reference/modeling/__init__.py,sha256=cUPRB2IfoHG_oa_TmVrbG2RgkUSJURV84qqZ259CTU0,1169
 mat3ra/esse/models/core/reference/modeling/exabyte.py,sha256=TpN1sEwv2h1w4cN7anHLfWQWSK0Zjb1u7_V2-62Yrv4,880
 mat3ra/esse/models/core/reusable/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/core/reusable/accuracy_level.py,sha256=7p3TQIjCfdbdpmvCbNadyOYbHdWeVqfgHproC39uet0,643
 mat3ra/esse/models/core/reusable/atomic_data_per_orbital_numeric.py,sha256=D-Ax_gaa_HALKc2wMoVbRt2aA7Y_nbdVh_XwZfmyPGM,661
 mat3ra/esse/models/core/reusable/atomic_data_per_orbital_pair_numeric.py,sha256=ZruAxrJnI54uFKZNKVAjOpSfhilRgcRC1VbsORgFtRE,1050
 mat3ra/esse/models/core/reusable/atomic_orbital.py,sha256=YtV1ywMQuSeZsFF068PUxFSaa7qt6Y0yrXBrFjEgTpw,597
 mat3ra/esse/models/core/reusable/atomic_scalars.py,sha256=mqHoU1M4JPAFbJzEisr9hTso1i2EtGyzXdY1Zjp7xDo,649
 mat3ra/esse/models/core/reusable/atomic_string.py,sha256=HGERo3jqAURe_kWKQS4_fk8FqqEDXWAWMfKid_k_tK0,323
-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
@@ -98,7 +83,6 @@ mat3ra/esse/models/core/reusable/categories.py,sha256=Z90c6gdSMUdEYwoThEyusMXb5u
 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_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
 mat3ra/esse/models/core/reusable/object_storage_container_data.py,sha256=LKvflErRqZIS2U4L586Dqkb5PN5BJd0oNUp2h0B4R4Q,834
@@ -111,12 +95,7 @@ mat3ra/esse/models/core/reusable/atomic_data/value_string.py,sha256=vwk-4oyLWQB7
 mat3ra/esse/models/core/reusable/coordinate_conditions/__init__.py,sha256=x3F0hTWnquvTngAvmbwwKJ547QuAvn_oLk6FRfY3Egg,956
 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
 mat3ra/esse/models/definitions/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
@@ -124,8 +103,6 @@ mat3ra/esse/models/definitions/chemical_elements.py,sha256=5Rc3-V1m7i_t20FgIVUs0
 mat3ra/esse/models/definitions/constants.py,sha256=53q7UtK31QOF3h4rVbOq4vNyXSqSjIL437A78i_5NaA,933
 mat3ra/esse/models/definitions/materials.py,sha256=Qzx6wi3SzRfILeuJlpAoOdFmC5VB1UOW3RkrLTg4XWU,301
 mat3ra/esse/models/definitions/units.py,sha256=4yoh-9dCLZhM02beLXVCuA4TpkPgm-QgEoWTvLkTBEs,296
-mat3ra/esse/models/enums/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/enums/chemical_elements.py,sha256=HeEgUBgIGHe7EpGVYQ0uthkg-UDNeWMksgvzbrHjhZA,308
 mat3ra/esse/models/in_memory_entity/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/in_memory_entity/base.py,sha256=amGKCTG4wJbOtfjciYGC35WEuExOIxU9k6Fc6Lk1vgk,574
 mat3ra/esse/models/in_memory_entity/defaultable.py,sha256=SAKO1RtMzKoz3d9JBokbzGHy0BOZcD5AfclytyVZ9zU,684
@@ -140,108 +117,41 @@ mat3ra/esse/models/job/compute.py,sha256=strKlGY8VnnnFij3KxxZr2Hozf2_zhujhTb4cQx
 mat3ra/esse/models/material/__init__.py,sha256=XoCMo_vYulZhkJv_V7n4jaw8Ee3ZmVgjD71P6L0DOcw,11673
 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
-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/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
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-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
-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/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
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 mat3ra/esse/models/model/__init__.py,sha256=7-Ki1GmKMTblyAu60sLMgmylH0H0nxXB_aJyB4NoMPU,982
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 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
+mat3ra/esse/models/properties_directory/scalar/reaction_energy_barrier.py,sha256=OXPnnHtFKwviNiS9D-cWu4FvYo9Fz-VTAJhE0wTPRZ0,635
+mat3ra/esse/models/properties_directory/scalar/surface_energy.py,sha256=yiKXB_KpFvSxwV9HB63Ca36Y_zT-WM7draSchQpOj-Q,602
+mat3ra/esse/models/properties_directory/scalar/total_energy.py,sha256=iykrSGCXLxrbjVHGBce1tKqVBP-j1qK_zfDv4vA9Szg,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=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
+mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py,sha256=9gK0UI71CS4cF3Ernm6pUe9WdYrq-BF68MTtYLHbXZg,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
@@ -467,7 +375,7 @@ 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
@@ -484,7 +392,6 @@ mat3ra/esse/models/properties_directory/structural/basis/atomic_labels.py,sha256
 mat3ra/esse/models/properties_directory/structural/basis/bonds.py,sha256=cToJoqVarNjMvpFfAYFUpQ0dYUFFeIToj6sDXk3pbkA,929
 mat3ra/esse/models/properties_directory/structural/basis/units_enum.py,sha256=UXeF7m08cdRo2GEsA7dXXwvLjh4Fq8DpWBlM29kUaQ4,266
 mat3ra/esse/models/properties_directory/structural/lattice/__init__.py,sha256=J9gMT0etIOeoJXm0U4ugB9q-zYfI27XNmOnEyqv55YY,2343
-mat3ra/esse/models/properties_directory/structural/lattice/lattice_bravais.py,sha256=QytTdHhvhUCCKknKO4-VGNUk-409OokrzvyR7oRy5JE,1546
 mat3ra/esse/models/properties_directory/structural/lattice/lattice_vectors.py,sha256=NOVgEB8gfdLGewqFk7V6wwT4VILyKeiOIp4fIAcdCrw,655
 mat3ra/esse/models/properties_directory/structural/lattice/type_enum.py,sha256=gZtoI5CHbSUtr9W-PqWkDBwAN-4eNCRKuEW41ZYOc-Q,448
 mat3ra/esse/models/properties_directory/structural/lattice/type_extended_enum.py,sha256=jEw00CIiKdPSxpefwR0rwqPkNuIZ1Uq56emjvfQbMvo,725
@@ -506,16 +413,12 @@ mat3ra/esse/models/property/base.py,sha256=mb5Q1XgYt7WrFhUir0O99ufQNzhiJog0yfoqE
 mat3ra/esse/models/property/meta.py,sha256=i2vBnAMuEmTXNS00Id73OM4SicwTwtmaM8hGJ9-Qucw,4996
 mat3ra/esse/models/property/raw.py,sha256=OhVfEY-876sr9QwnxuvHGzW_GBhhOcV11rLlASZu_RE,5000
 mat3ra/esse/models/property/source.py,sha256=lr_eBXAwQ9c_I0hQUFUe9EOg7nDEgoG3CDOnsh_lo_A,3466
-mat3ra/esse/models/property/base/__init__.py,sha256=DUlRfAgAm8NPwxpfFNNgHLKEJKKSdVUxBFDVkSgq9ic,5004
 mat3ra/esse/models/property/base/The_source_of_a_property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/property/base/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=Ri6Ljt0BIssI8U6wT-84HYlxC3NkRHPrkrAPSy0qPt8,826
-mat3ra/esse/models/property/meta/__init__.py,sha256=JCqoIdJmQ9KfnREGOEzlzoXnvy66TqckPSBZz5xKUtM,4997
 mat3ra/esse/models/property/meta/The_source_of_a_property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/property/meta/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=APGwKbjHU1X83PXkfG8w7zEwQLdD-2u8qZX7wk5L5k0,826
-mat3ra/esse/models/property/raw/__init__.py,sha256=bRctI-s7N3VGpvOuiTBuj60Y7hqlOTRqpn7hi30X4kA,5001
 mat3ra/esse/models/property/raw/The_source_of_a_property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/property/raw/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=_d4Ujayas-Ehblbfoq8ooSPTou9ve_3de2gGFXFKwHw,825
-mat3ra/esse/models/property/source/__init__.py,sha256=EJixEBrazelX8MdYfS19-BQd3SpNbEXp2-TQmOAv5Ck,3466
 mat3ra/esse/models/property/source/The_source_of_a_property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/property/source/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=KUu54vLIk_EiN-kbfBgXPmnqcilU8sxEq87PGEjF-qA,828
 mat3ra/esse/models/software/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
@@ -587,22 +490,6 @@ 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
-mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13/atoms.py,sha256=cT_8f1J3kqEzzeYQakbbb-TghOH9Q51-lGqHMW-nUO4,1451
-mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13/db_entry.py,sha256=5mzvTHBl53b_v5qXYB9WmPrmFCsrmFQ1--IG0ssuFAc,1909
-mat3ra/esse/models/third_party/file/applications/espresso/7.2/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw_x.py,sha256=Mb7xzAHQ2Q_gaxVsulzSqN7i0mDr9NpdTUNvVEZCVp4,74719
-mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_positions.py,sha256=VTVk6tbE8ysJw-omg65lB_zwoCftvtXXCOb8s9mzouY,1271
-mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_species.py,sha256=QANo7AbvPQsyyCHi3s9yn0uiWGaEK-wRmWQLaBIvo_A,1180
-mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell.py,sha256=NntsVTxamNQus2Kjw7zQzbcA0gzwT8ZG8V9lMwtOonM,3342
-mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell_parameters.py,sha256=mKZVlTtB_VtkpHdvFc_lNCteGK1icrAcIoS1JYtRj-s,1241
-mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/control.py,sha256=wFFFfoVtrZokJUa_Q8E254PQ8jGgue20ChDXKQbht2w,8786
-mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/electrons.py,sha256=RSr8tLSEKnvGpHwMCnpvlNOFAoWkoB9hRcCc5qglJEA,4849
-mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/hubbard.py,sha256=cpLf1WIFKiBBITOtwdfTMDITey0-RWFt7YYrG0cpxis,4541
-mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/ions.py,sha256=x9z_-fv2nLNIvi5DvAnMHsNgfpwxHHm2lesZi8PS_gM,15280
-mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/k_points.py,sha256=hsX6lP_-ogOpgASJHNUmHxJzHtODOeUaAIPUVRowTYY,1602
-mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/system.py,sha256=f1yAIjBanUacmmB8qG0zGoZNJoStMjOK2b4CldqKnmU,34350
 mat3ra/esse/models/workflow/__init__.py,sha256=iLO59cteWZYjVsJS5ecF3COT37xI6IdwCegKL3_gZlU,59612
 mat3ra/esse/models/workflow/base.py,sha256=7dDTOLX9JmBJlimUj8UlCrmKHWNuaOMiQpHGEuS0-IY,1252
 mat3ra/esse/models/workflow/base_flow.py,sha256=cvAa8lNFHyOyVsqs1dqE6vieRcnET_7Hn-du93BnHKA,5987
@@ -636,8 +523,8 @@ 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-2025.6.5.post0.dist-info/licenses/LICENSE.md,sha256=CBGo1CDw-8EWCk7x9HOiF-OShdnHY6j__TjFyZPpQME,563
-mat3ra_esse-2025.6.5.post0.dist-info/METADATA,sha256=hUvmcYUxd4FXC_cLXVQiGQRVTRKHjlq38rN3w1KvS4U,8999
-mat3ra_esse-2025.6.5.post0.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
-mat3ra_esse-2025.6.5.post0.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
-mat3ra_esse-2025.6.5.post0.dist-info/RECORD,,
+mat3ra_esse-2025.6.30.post0.dist-info/licenses/LICENSE.md,sha256=CBGo1CDw-8EWCk7x9HOiF-OShdnHY6j__TjFyZPpQME,563
+mat3ra_esse-2025.6.30.post0.dist-info/METADATA,sha256=MWqH3mmubYWZckvVzGXxj3lP03yLSdHTApmHtuXXOVo,9000
+mat3ra_esse-2025.6.30.post0.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+mat3ra_esse-2025.6.30.post0.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
+mat3ra_esse-2025.6.30.post0.dist-info/RECORD,,

mat3ra/esse/models/coordinates_shape_enum.py

@@ -1,15 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  coordinates_shape_enum.json
-#   version:   0.28.5
-
-from __future__ import annotations
-
-from enum import Enum
-
-
-class CoordinateShapeEnum(Enum):
-    cylinder = "cylinder"
-    sphere = "sphere"
-    box = "box"
-    triangular_prism = "triangular_prism"
-    plane = "plane"

mat3ra/esse/models/core/abstract/2d_data.py

@@ -1,17 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/2d_data.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List, Union
-
-from pydantic import BaseModel, Field
-
-
-class Field2DimensionDataSchema(BaseModel):
-    xDataArray: List
-    """
-    array containing values of x Axis
-    """
-    yDataSeries: List[List[Union[float, str]]] = Field(..., title="1 dimension data series schema")

mat3ra/esse/models/core/abstract/2d_plot.py

@@ -1,34 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/2d_plot.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List, Optional, Union
-
-from pydantic import BaseModel, Field
-
-
-class AxisSchema(BaseModel):
-    label: str
-    """
-    label of an axis object
-    """
-    units: Optional[str] = None
-    """
-    units for an axis
-    """
-
-
-class Field2DimensionPlotSchema(BaseModel):
-    xAxis: AxisSchema = Field(..., title="axis schema")
-    yAxis: AxisSchema = Field(..., title="axis schema")
-    legend: Optional[List] = Field(None, min_length=1)
-    """
-    Legend of y Axis data series
-    """
-    xDataArray: List
-    """
-    array containing values of x Axis
-    """
-    yDataSeries: List[List[Union[float, str]]] = Field(..., title="1 dimension data series schema")

mat3ra/esse/models/core/abstract/3d_grid.py

@@ -1,14 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/3d_grid.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List
-
-from pydantic import BaseModel, Field
-
-
-class Field3DimensionalGridSchema(BaseModel):
-    dimensions: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
-    shifts: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")

mat3ra/esse/models/core/abstract/3d_tensor.py

@@ -1,19 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/3d_tensor.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Any, List
-
-from pydantic import Field, RootModel
-
-
-class ArrayOf3NumberElementsSchema(RootModel[List[Any]]):
-    root: List[Any] = Field(..., title="array of 3 number elements schema")
-
-
-class Field3DimensionalTensorSchema(RootModel[List[ArrayOf3NumberElementsSchema]]):
-    root: List[ArrayOf3NumberElementsSchema] = Field(
-        ..., max_length=3, min_length=3, title="3 dimensional tensor schema"
-    )

mat3ra/esse/models/core/abstract/3d_vector_basis.py

@@ -1,15 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/3d_vector_basis.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List
-
-from pydantic import BaseModel, Field
-
-
-class Field3DimensionalVectorBasis(BaseModel):
-    a: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
-    b: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
-    c: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")

mat3ra/esse/models/core/abstract/_3d_tensor.py

@@ -1,19 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/3d_tensor.json
-#   version:   0.28.5
-
-from __future__ import annotations
-
-from typing import List
-
-from pydantic import Field, RootModel
-
-
-class ArrayOf3NumberElementsSchema(RootModel[List[float]]):
-    root: List[float] = Field(..., title="array of 3 number elements schema")
-
-
-class Field3DimensionalTensorSchema(RootModel[List[ArrayOf3NumberElementsSchema]]):
-    root: List[ArrayOf3NumberElementsSchema] = Field(
-        ..., max_length=3, min_length=3, title="3 dimensional tensor schema"
-    )

mat3ra/esse/models/core/abstract/_3d_vector_basis.py

@@ -1,15 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/3d_vector_basis.json
-#   version:   0.28.5
-
-from __future__ import annotations
-
-from typing import List
-
-from pydantic import BaseModel, Field
-
-
-class Field3DimensionalVectorBasis(BaseModel):
-    a: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
-    b: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
-    c: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")

mat3ra/esse/models/core/abstract/point.py

@@ -1,13 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/point.json
-#   version:   0.28.5
-
-from __future__ import annotations
-
-from typing import List
-
-from pydantic import Field, RootModel
-
-
-class PointSchema(RootModel[List[float]]):
-    root: List[float] = Field(..., max_length=3, min_length=3, title="point schema")

mat3ra/esse/models/core/abstract/vector.py

@@ -1,13 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/vector.json
-#   version:   0.28.5
-
-from __future__ import annotations
-
-from typing import List, Union
-
-from pydantic import Field, RootModel
-
-
-class ESSE(RootModel[Union[List[float], List[bool]]]):
-    root: Union[List[float], List[bool]] = Field(..., title="vector schema")

mat3ra/esse/models/core/primitive/1d_data_series.py

@@ -1,13 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/1d_data_series.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List, Union
-
-from pydantic import Field, RootModel
-
-
-class Field1DimensionDataSeriesSchema(RootModel[List[List[Union[float, str]]]]):
-    root: List[List[Union[float, str]]] = Field(..., title="1 dimension data series schema")

mat3ra/esse/models/core/primitive/3d_lattice.py

@@ -1,34 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/3d_lattice.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from pydantic import BaseModel
-
-
-class Field3DimensionalLatticeSchema(BaseModel):
-    a: float
-    """
-    length of the first lattice vector
-    """
-    b: float
-    """
-    length of the second lattice vector
-    """
-    c: float
-    """
-    length of the third lattice vector
-    """
-    alpha: float
-    """
-    angle between first and second lattice vector
-    """
-    beta: float
-    """
-    angle between second and third lattice vector
-    """
-    gamma: float
-    """
-    angle between first and third lattice vector
-    """