mat3ra-esse 2025.8.20.post0__py3-none-any.whl → 2025.10.8.post0__py3-none-any.whl

mat3ra/esse/models/workflow/unit/io/db.py

@@ -4,7 +4,7 @@
 
 from __future__ import annotations
 
-from typing import List, Optional, Union
+from typing import List, Union
 
 from pydantic import BaseModel, ConfigDict, Field, RootModel
 
@@ -27,7 +27,7 @@ class DataIODatabaseInputOutputSchema1(BaseModel):
     """
     db collection name
     """
-    draft: Optional[bool] = True
+    draft: bool
     """
     whether the result should be saved as draft
     """

mat3ra/esse/models/workflow/unit/io/object_storage.py

@@ -41,7 +41,7 @@ class ObjectStorageIoSchema(BaseModel):
         extra="allow",
     )
     objectData: ObjectStorageContainerData = Field(..., title="Object Storage Container Data")
-    overwrite: Optional[bool] = False
+    overwrite: Optional[bool] = None
     """
     if a file with the same filename already exists, whether to overwrite the old file
     """

{mat3ra_esse-2025.8.20.post0.dist-info → mat3ra_esse-2025.10.8.post0.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: mat3ra-esse
-Version: 2025.8.20.post0
+Version: 2025.10.8.post0
 Summary: Excellent Source of Schemas and Examples.
 Author-email: "Exabyte Inc." <info@mat3ra.com>
 License: # LICENSE

{mat3ra_esse-2025.8.20.post0.dist-info → mat3ra_esse-2025.10.8.post0.dist-info}/RECORD

@@ -2,11 +2,11 @@ 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=B2XyP89-7LPTjCKm4s9K1IHVVwaqQZ2f6sXUTo0-tKY,142761
+mat3ra/esse/data/examples.py,sha256=oaKBHn2gNLEI8136kFHwUxzghs_XSWefSghJV2gnfLE,142897
 mat3ra/esse/data/properties.py,sha256=geWFIVIJbdn2Q_JG3Mz36oQ_dXeZZwnmlS_NgszvHUY,6099
-mat3ra/esse/data/schemas.py,sha256=_jAW3t5ObdQRrRLfcdtq-mhhacqBvsNBOPSYOnS9G_k,3000787
+mat3ra/esse/data/schemas.py,sha256=MJpKV5H7DWO1WP48Yz3wxfKWpc2-4qhHFG2wdfe-T30,3297412
 mat3ra/esse/models/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/element.py,sha256=xuuFQRP6wE4SFXggipRsAexGPo10DorQqoWUG_pUnPA,2950
+mat3ra/esse/models/element.py,sha256=5rQexDJz6p0XYqMs7j6TTJHTkvnuvz5vvl-g75c9jqw,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
@@ -27,8 +27,8 @@ 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=Dgn_D-9Sq-9MDH51csL1-GBFkisSbwDGQlaYscnWHDk,426
-mat3ra/esse/models/core/abstract/_2d_plot.py,sha256=CikwQl8cFdoaJthwdT1kIvUcTnHk9QiOT9YgWo-TU28,812
+mat3ra/esse/models/core/abstract/_2d_data.py,sha256=SDYP92G8bgzo4IBtiH_bVY8w7PGjabK5reF_03xHp_g,441
+mat3ra/esse/models/core/abstract/_2d_plot.py,sha256=xZZozQRkUD4qrdIRwGh1V6qobRu2qyKoX4Nq-IweQM4,723
 mat3ra/esse/models/core/abstract/_3d_grid.py,sha256=qJ6z7YI504zEWp81dOoYdBVBZDPFGuvD8VxfeEOmhgA,466
 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
@@ -38,7 +38,7 @@ mat3ra/esse/models/core/abstract/matrix_3x3.py,sha256=7Ob8lg7Uq33R0dVO7XYgp4AvDy
 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/_1d_data_series.py,sha256=BSJwjVDssegx0SlO-_Q3JDKWCtnE1t8eXuUvRFQUJMs,358
 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
@@ -47,6 +47,7 @@ mat3ra/esse/models/core/primitive/array_of_3_numbers.py,sha256=VjCYsMasQYN1agkBJ
 mat3ra/esse/models/core/primitive/array_of_ids.py,sha256=JMTCZGq743-t61SNqFqPNX26yZNZ5I9APKoZ23_1z6w,484
 mat3ra/esse/models/core/primitive/array_of_strings.py,sha256=j8hck6B4rcpNc801v5shjFiwtWVXMX1e_kFr7WNfMpo,370
 mat3ra/esse/models/core/primitive/axis.py,sha256=lC968R-jutI-HTLO40G4YoN9dMWJ9hzpnZPs89dlJdc,353
+mat3ra/esse/models/core/primitive/axis_3d_names_enum.py,sha256=trFTfyXeUEoE-5i6oW2qZyBHSo0hkj-b-McBGMUxF4U,229
 mat3ra/esse/models/core/primitive/group_info.py,sha256=mhjFVVTseLogwggxg7GVDUZ1NZU-SLc1kcBUwrFz4g0,448
 mat3ra/esse/models/core/primitive/integer_one_or_zero.py,sha256=xxNWl0Pr8_onwgKuiI4ic8Oo9FfTojyb1bLWj0-tg-0,322
 mat3ra/esse/models/core/primitive/integer_positive_single_digit.py,sha256=-Oou7xrBTog5PVxfBfwET9NuQd0n5SkL_xT6coS6CKQ,352
@@ -61,9 +62,9 @@ mat3ra/esse/models/core/primitive/linked_list/base_node.py,sha256=tMndAwOtK_q1yX
 mat3ra/esse/models/core/primitive/linked_list/named_node.py,sha256=j2Lxpfxw9xyZqLwWOavYys_3mkwIE11_xjLh_zEVkAs,642
 mat3ra/esse/models/core/primitive/linked_list/named_node_in_group.py,sha256=nc9jRIgAsY5yZMhxwCuoA6ga9N7DVJKN3CpOXsfSCaA,855
 mat3ra/esse/models/core/primitive/linked_list/node_with_type.py,sha256=9eq7NEjUHxdHxVMv2Ddda0D8b--fHuEvELZK6QHbi28,614
-mat3ra/esse/models/core/reference/__init__.py,sha256=3L3QKssmECoXOu0JHhSinrW-3Wf0oZfod2yTguuvwXc,6436
-mat3ra/esse/models/core/reference/exabyte.py,sha256=6nHPBWI3GpsQq5NAODeTnE67LM76rZAs-c800gu_xfs,486
-mat3ra/esse/models/core/reference/experiment/__init__.py,sha256=IEMhCo4Ae2r6dA2-ziQLJAWcy4qrC3braENi3Fuadq4,3476
+mat3ra/esse/models/core/reference/__init__.py,sha256=kDIEvFXLlUNt1QAEF_r3qVogEW9oWmTNfzr3aafKtzI,6436
+mat3ra/esse/models/core/reference/exabyte.py,sha256=qfES_9ZS8o9dkYicKJydisYSmGS37pCH1JkFFbYFTH0,319
+mat3ra/esse/models/core/reference/experiment/__init__.py,sha256=98Fw2A37z3UNlI_-d8kydbLbJPMrdKKXXcVwShkuxmo,3476
 mat3ra/esse/models/core/reference/experiment/condition.py,sha256=bZyiij_gBzLtlbCu3oAn3Skg_ZZXxhDZ4lg5v9siwIs,544
 mat3ra/esse/models/core/reference/experiment/location.py,sha256=5Kq6nceyVXAo09X-fpyDM0i2EfcqJbUKQwr8FAaINdo,332
 mat3ra/esse/models/core/reference/literature/__init__.py,sha256=SA4aLHkvP05ulEbbEUoy4lFHOh0uWP1MrrQTpifU8uw,2290
@@ -87,18 +88,22 @@ mat3ra/esse/models/core/reusable/dielectric_tensor_component.py,sha256=_rr6oeTSx
 mat3ra/esse/models/core/reusable/energy.py,sha256=FUf_Lrr6eIlQu6ADy8hS0OsJ0Igcp9apQRzEwZPxZtI,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/hubbard_parameters.py,sha256=_k14y1Ery8_HePzsSPHmT-IbmDXnnbzy6dhYRPkVAQI,1129
+mat3ra/esse/models/core/reusable/kpoint.py,sha256=WNFdWMoKczX6QK26uJaXWdpqphRM9GWN6dYoXcjz9D0,404
 mat3ra/esse/models/core/reusable/object_storage_container_data.py,sha256=LKvflErRqZIS2U4L586Dqkb5PN5BJd0oNUp2h0B4R4Q,834
+mat3ra/esse/models/core/reusable/repetition.py,sha256=gxZO4RpUWaJ3epVhigvUnuYfbqLsFMDKmvMqehyAIow,291
 mat3ra/esse/models/core/reusable/scalar_with_accuracy_levels.py,sha256=s6TD3yrZlVdGYmMIqhBmhacuRIMRtfkJx_Ag_0Vl_OA,487
 mat3ra/esse/models/core/reusable/atomic_data/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/core/reusable/atomic_data/per_orbital.py,sha256=pd3oG1FfLevoA44FMemtkfO5Hc73gfO-H_GfUIw1W7o,530
 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=PbSAyxw3bkHm7ozSAApXVjQVwfKqxDskdP-l5tRFjr8,2712
+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=eOjqGLjZD1EoVmBkh-s8-5aTFX4E7Se3thmOq4RjruE,735
 mat3ra/esse/models/core/reusable/coordinate_conditions/cylinder.py,sha256=t3OfPcQoQPTdrP03GeCPXcrk9AmvCfVK3AHw7L8gzoU,616
 mat3ra/esse/models/core/reusable/coordinate_conditions/enum.py,sha256=qlOpxIW7i5SowG5-rLSz6DAqIOlIIvPrQyqYMGoZmCQ,337
+mat3ra/esse/models/core/reusable/coordinate_conditions/index.py,sha256=yNd0YsE4Z9XUnD5B5jQK9dMXE1FydbuIU-EpKdFAYCs,2718
 mat3ra/esse/models/core/reusable/coordinate_conditions/plane.py,sha256=zIV3ekbu4ygDOb3zGBvzxV8X2Z-3VnJFUFYGHTJMdyc,749
 mat3ra/esse/models/core/reusable/coordinate_conditions/sphere.py,sha256=P6NS9cBYOmjyJ5VeSuVUjpr4-rlTxkgvTYx5zgs--kI,574
 mat3ra/esse/models/core/reusable/coordinate_conditions/triangular_prism.py,sha256=JV5rlqQL43Iz69IWaMlPIg0JeJqo1DJFMx_8cjKhgog,1025
@@ -107,6 +112,7 @@ mat3ra/esse/models/core/reusable/energy_accuracy_levels/Reusable_schema_for_ener
 mat3ra/esse/models/definitions/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/definitions/chemical_elements.py,sha256=5Rc3-V1m7i_t20FgIVUs0njJL7s-JqYYTUqFufvH3AA,314
 mat3ra/esse/models/definitions/constants.py,sha256=53q7UtK31QOF3h4rVbOq4vNyXSqSjIL437A78i_5NaA,933
+mat3ra/esse/models/definitions/material.py,sha256=VcwyzpimFgVINESeZuPO4d9ggWvdi-tZuBSLLkaBOaA,300
 mat3ra/esse/models/definitions/materials.py,sha256=Qzx6wi3SzRfILeuJlpAoOdFmC5VB1UOW3RkrLTg4XWU,301
 mat3ra/esse/models/definitions/units.py,sha256=4yoh-9dCLZhM02beLXVCuA4TpkPgm-QgEoWTvLkTBEs,296
 mat3ra/esse/models/in_memory_entity/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
@@ -117,40 +123,41 @@ 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=sExlBunpvePI0xofcfrCu7Syz9dUT3eLDWOjqSce7qg,65073
+mat3ra/esse/models/job/__init__.py,sha256=WhdDBz67u25zuvduqKuZY6uadpoURTzctWnIdfeIsIU,65134
 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=IN_1DXVSsKEcWgvD-5QJdhv5cKcLvLznBj3MXplr7ZM,11687
+mat3ra/esse/models/material/__init__.py,sha256=L4pmodiWosWS4hnYv-O8fgrW5GTBVlp5YxromgZxUnY,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=nL8M94tAa0Qqwtmd-M87MmlcTcuq1oar8HcPMq_WhdA,97106
+mat3ra/esse/models/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.py,sha256=aTUaDgZz0NldvH73gFhTKweiBttWOnoOXx83Aukzy8Q,97106
 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=2WEyPVnlyurT4aBEPmQBM9BQuV2eUkv2aYiThLazvIg,97230
+mat3ra/esse/models/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.py,sha256=57Kn-vn1XB2-LheEOtWVYp5dwed5Pc-RLX8FhzXjzNs,97230
 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=i9QkCYsmPIAPv8WvBw1_UOCMFQlGdajUUQkH_0A0Ew8,46065
+mat3ra/esse/models/materials_category/defective_structures/two_dimensional/adatom/configuration.py,sha256=10WUUKPQJ18liv_lAKUYMjvx2E2J_B3EbxjJuw1deJs,46065
 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=IuLezWyDLXQgxocR8-cZk9Eaw7Pu-o_UCZyslsF-TqY,96785
+mat3ra/esse/models/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.py,sha256=vDKrPrdttVRdO7oBcpQecpHBD_p2rU0tDlEPJmF6ylQ,96786
 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=ulOMoP-56mHxeI-OYr88r3nCJwJvGBCLjMifJ5Ckems,66755
+mat3ra/esse/models/materials_category/defective_structures/two_dimensional/island/configuration.py,sha256=faLL1LJ62aThwXKtxHsOxCgEMcSgefHke_CevKav5x8,66755
 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=_lF5NfL0tNDigV8C7Lzxj7BAwFCa61q0UDzG7IHqkC0,66946
+mat3ra/esse/models/materials_category/defective_structures/two_dimensional/terrace/configuration.py,sha256=BryDUiMFXOx9CA1sLnmimwe6cK7ss5M8TB7x4w6nASw,66946
 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=G7FhpSyBjaSrKTFubFG7u_9GWoOGruF-5NyaZp2ONUE,23526
-mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.py,sha256=-Ybk2hibJVJ-XSWc8CAo7YHUnCfnTRqdNLRUUfM2_Qs,23532
-mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.py,sha256=Zz_v_zqqoqO4gwW4bLXHWudfz9cjonG7bsdapDVjKoo,12365
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 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=zKuVeOHWvwS_NjKBrfS83iM7FVU5HPs2Zi91EvLWgZc,11753
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 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/nanoribbon.py,sha256=ErtYO3qJettu_9W27R3rOlP1dkInRcVpQKewCt7miDQ,35465
-mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanotape.py,sha256=KeXCPwhUoUK8zCiLt03w7fUoAliagwbZ4B8QQUSgtKs,25530
-mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab.py,sha256=Fx7bcQczuO205d8rkP2Mk3I5rAY0wRBEs7kmc76g4Ok,24774
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 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=DPYIs_ICWnjFkZlWArImG_j6l3YH1zBdHb3crQSxsaE,25469
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 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
@@ -160,35 +167,35 @@ 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=MPGVcAYLAElkrl_dger2cywpTpPbmIRns_xD96JPmB0,12035
-mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.py,sha256=RTDtykPGV6isRJTPwwR9oGfFBF_Gpq9unXptZwfYn4Y,14031
-mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/void_region.py,sha256=t3c99x6E1FKSowJV79eCdLx8akqE5dT7OOvDwW1NHyw,14096
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 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=PegLCC_-FHSSIPIhi3vR5LCuFZiNXB9ktjVKD03rxSs,11747
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 mat3ra/esse/models/materials_category_components/entities/core/three_dimensional/void.py,sha256=O4CSYSZkXs72ceagAbSf8Cn2qa3046ncl5874HQc5ek,2575
 mat3ra/esse/models/materials_category_components/entities/core/two_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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 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/core/zero_dimensional/vacancy.py,sha256=HQvsRbEAvwebozf-6AvCQBsbqo_6lwMWrBOevpNPnmc,479
 mat3ra/esse/models/materials_category_components/entities/reusable/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 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/one_dimensional/crystal_lattice_lines_unique_repeated.py,sha256=o78oxBO2qJvTzU48cjQjN_6F6OTnvuAOrAf_rmmL11Q,15408
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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/three_dimensional/repetitions.py,sha256=t4qqfe4omBUSnrRFGgBjO15HwZtSEpNzs3GXrdHWZtw,802
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 mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/atomic_layers.py,sha256=-HFh1fnbDB-g3ImfZPL17MFI6bp8CfCmUO13xeX3WIQ,14487
 mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.py,sha256=03j_Oi4mKrTx5k5xu-XE3HSt9GOBh0g5cJ-OX0sDcV4,14508
 mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.py,sha256=8fg-uAnNQZUWS2ohE0cKstoJ2mbN34jm1iXrI4FsEAs,14639
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-mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.py,sha256=0XVjgHGNe2dQY7wivg-faC5B3IZowX9RK2pl3nM2fqI,34747
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+mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.py,sha256=nVqZ5asSQnc9IckgKRnBDoiM1wPas1Wr_T78VpY-M8o,34747
 mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/slab_unit_cell.py,sha256=kO8vyBXFcXzMB-RH-Y5KKJHlIhj4-1pQ3447PDZxDMM,24464
 mat3ra/esse/models/materials_category_components/operations/core/combinations/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/materials_category_components/operations/core/combinations/enums.py,sha256=4IGswkEqNbfL-KM4jUG4Sb2GUWv9HwLu6onoPoQbB1I,292
@@ -196,7 +203,7 @@ mat3ra/esse/models/materials_category_components/operations/core/combinations/me
 mat3ra/esse/models/materials_category_components/operations/core/combinations/stack.py,sha256=p3pdL7qhxTKCfosOaZMw2q4OC4MkSZhEnAh0z9XcKV0,806
 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
-mat3ra/esse/models/materials_category_components/operations/core/modifications/perturb.py,sha256=eTR5P3a9fKwaW3YvNv28rlpJtfNO6g_aH7UVcrG3kl0,12036
+mat3ra/esse/models/materials_category_components/operations/core/modifications/perturb.py,sha256=5eclBUGTfojuEJEH-BBznNo3XnCe6ZTdVcl4DdwN8sU,12036
 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
@@ -311,9 +318,9 @@ mat3ra/esse/models/methods_directory/physical/ao/dunning.py,sha256=XALpYNjeztKPY
 mat3ra/esse/models/methods_directory/physical/ao/enum_options.py,sha256=f2FIx6R_zTNWLM2ADlr4WOW7C8MXqxO7TR2CfsoW7WM,255
 mat3ra/esse/models/methods_directory/physical/ao/other.py,sha256=-Rrf-6ZyKFciw9a9lURlzDZuk-86t3wbOxodh4PRdLk,2870
 mat3ra/esse/models/methods_directory/physical/ao/pople.py,sha256=k9e2xkCQ7bLANaAqhMT5-enRyD4y9KeJ9KLVNTj2ffU,2692
-mat3ra/esse/models/methods_directory/physical/psp/__init__.py,sha256=jK4FbSDPbvzYQgBZb9-kDKmFjmqWzg_0Os0anoNkEb8,5525
-mat3ra/esse/models/methods_directory/physical/psp/file.py,sha256=K1-bsq8dbxoGtm3qAJkmtx_V9hCbE9B3oV-b6RGXBXM,3206
-mat3ra/esse/models/methods_directory/physical/psp/file_data_item.py,sha256=oAFMywLm2byFzGwmW1Qf7w6eh2hnZykNbZbYNzUJfPI,2819
+mat3ra/esse/models/methods_directory/physical/psp/__init__.py,sha256=MRggEQQz3jWad4WxUJyfr_NLIAPqGuvFClA_PZLR_Fo,5491
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 mat3ra/esse/models/methods_directory/physical/psp/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/methods_directory/physical/psp/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py,sha256=uiN1GsD9dGzZoTghN6hhdA8m3fyBbvbXZH8YYAkjUb0,646
 mat3ra/esse/models/methods_directory/physical/psp/file/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
@@ -376,57 +383,63 @@ 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
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 mat3ra/esse/models/properties_directory/electronic_configuration.py,sha256=B0BdTCuUf25tXd2w2kJyLtnfNJwWUnl6tYhXeZvwFjQ,480
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 mat3ra/esse/models/properties_directory/elemental/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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 mat3ra/esse/models/properties_directory/non_scalar/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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 mat3ra/esse/models/properties_directory/structural/p_norm.py,sha256=A6EJUYY6dzGH7Uq1jTCLj42ePRPSsg7pE4dOL3bxQmA,445
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 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
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 mat3ra/esse/models/properties_directory/structural/basis/atomic_coordinate.py,sha256=JTRnk_xltFjOg-pS8-pS_h6WPL60FrY4t2HJyqJ2zaA,466
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 mat3ra/esse/models/properties_directory/structural/basis/atomic_element.py,sha256=d03qfKF6W9tacxYSvtpTJSY3KSRRNtSA1zsXzd6HpOg,2128
@@ -434,33 +447,39 @@ mat3ra/esse/models/properties_directory/structural/basis/atomic_elements.py,sha2
 mat3ra/esse/models/properties_directory/structural/basis/atomic_label.py,sha256=njbXBHakrcBeA5sAN-rd5vKFln-9UmSFcP52o-UiEYs,425
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 mat3ra/esse/models/properties_directory/structural/basis/bonds.py,sha256=cToJoqVarNjMvpFfAYFUpQ0dYUFFeIToj6sDXk3pbkA,929
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 mat3ra/esse/models/properties_directory/structural/lattice/lattice_vectors.py,sha256=NOVgEB8gfdLGewqFk7V6wwT4VILyKeiOIp4fIAcdCrw,655
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 mat3ra/esse/models/properties_directory/structural/lattice/type_extended_enum.py,sha256=jEw00CIiKdPSxpefwR0rwqPkNuIZ1Uq56emjvfQbMvo,725
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 mat3ra/esse/models/property/meta/The_source_of_a_property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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 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/The_source_of_a_property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
@@ -519,13 +538,13 @@ 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/workflow/__init__.py,sha256=AE2N1cKBk4SRrN_t7mFff8yQb9bzCPf6LPNtsTduGs8,59866
+mat3ra/esse/models/workflow/__init__.py,sha256=ZT_skA6pxvH8LTiiw_La2oiN10bHsJQSyYFWX0HorT8,59941
 mat3ra/esse/models/workflow/base.py,sha256=7dDTOLX9JmBJlimUj8UlCrmKHWNuaOMiQpHGEuS0-IY,1252
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 mat3ra/esse/models/workflow/scope.py,sha256=d_JktEhzg7Ls9LN01cT9kr-Lyv0i9OKZFm6grADKQN4,319
-mat3ra/esse/models/workflow/subworkflow/__init__.py,sha256=oVa_rlKPqb8KzSrnezHahyrdnO4aHngJr4q3-SL8kxY,32059
-mat3ra/esse/models/workflow/subworkflow/unit.py,sha256=zdelH-rfFovjvpWTINZZV8tIzWhkAqigMs4dXFfBvwM,25136
-mat3ra/esse/models/workflow/unit/__init__.py,sha256=jFjgHyqGMJOiUUaIYd0vFHuCg1bq8Rw009kGL_2d5hg,30179
+mat3ra/esse/models/workflow/subworkflow/__init__.py,sha256=RzlpJM4sZbZY2OLzLlXF5QQmBsf4JWwbKE-19TnQk7Y,32144
+mat3ra/esse/models/workflow/subworkflow/unit.py,sha256=Kzm18dn1CVhITuL31hTzecxSJ51hSE_Lwzq8eyae2cg,25121
+mat3ra/esse/models/workflow/unit/__init__.py,sha256=70imG1cT-NuvrGZSce5ZJRwMDylSwVXxH1xjRqVW7Jk,30161
 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
@@ -542,18 +561,18 @@ mat3ra/esse/models/workflow/unit/input/_inputItemId.py,sha256=Fz8Nad2oYiSWv4_r_u
 mat3ra/esse/models/workflow/unit/input/_inputItemScope.py,sha256=fTCCX3tnERlU7mUd24ufRor3ZEFUKyaRZ-noroZ_KF4,392
 mat3ra/esse/models/workflow/unit/input/_map_input/__init__.py,sha256=EWese8D4VOvFbvTGxPS19Iw0RGu9uVo9r1VddFdYWnc,469
 mat3ra/esse/models/workflow/unit/input/_map_input/values.py,sha256=pLWRsTkDR2-wM2IXFzb1r--x4O4k6-FeNrHNtVSO9mM,281
-mat3ra/esse/models/workflow/unit/io/__init__.py,sha256=YxSadjgJgh0NpGbyjNZR_jyATVw0w8kL2pAbZHi5n0s,5097
+mat3ra/esse/models/workflow/unit/io/__init__.py,sha256=C_z_VJb6KNOJ1n8C-VyJCO6ll61gWRQ6NzaUZmIokE4,5079
 mat3ra/esse/models/workflow/unit/io/api.py,sha256=yr6o-UJfQW_LmyIaP2yKfcAdWdv2dcFo5d-sPT67uR0,575
-mat3ra/esse/models/workflow/unit/io/db.py,sha256=HzI23XIGT_vGK9MG14u8zMcgXmX2tQwuWJPMSguYDfE,943
-mat3ra/esse/models/workflow/unit/io/object_storage.py,sha256=O8u-iS4YamCC1A4vq_4CFjNSRK4yoEmi1xI9hQqoOwA,1465
+mat3ra/esse/models/workflow/unit/io/db.py,sha256=byBLM6qnqhF6-BsVN5E2uP8JTQ3Oya_6rCo75kkM_Ik,916
+mat3ra/esse/models/workflow/unit/io/object_storage.py,sha256=iLpsggyl8WLzQKGdYVkRsbA_BGWB444p9ToRn0av15w,1464
 mat3ra/esse/models/workflow/unit/runtime/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/workflow/unit/runtime/_runtime_item_full_object.py,sha256=GdGNhCra_xz-txbXZhGAEq6RAstMrTKtts7EzfEKI8s,340
 mat3ra/esse/models/workflow/unit/runtime/_runtime_item_name_object.py,sha256=CIbonjbdKKKMtCZ5EmRzIrPYJbDwEHS_gpAVQj00oUY,304
 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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