mat3ra-esse 2025.7.29.post0__py3-none-any.whl → 2025.8.6.post1__py3-none-any.whl

mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py

@@ -18,14 +18,14 @@ class Units(Enum):
     eV = "eV"
 
 
-class Units240(Enum):
+class Units204(Enum):
     eV = "eV"
     Ry = "Ry"
     hartree = "hartree"
 
 
 class Electronic(BaseModel):
-    units: Optional[Units240] = None
+    units: Optional[Units204] = None
     """
     units for force tolerance
     """

mat3ra/esse/models/software/template.py

@@ -29,6 +29,10 @@ class TemplateSchema(BaseModel):
     """
     Content of the input file. e.g. &CONTROL    calculation='scf' ...
     """
+    rendered: str
+    """
+    Rendered content of the input file. e.g. &CONTROL    calculation='scf' ...
+    """
     field_id: Optional[str] = Field(None, alias="_id")
     """
     entity identity

mat3ra/esse/models/software_directory/modeling/unit/execution.py

@@ -200,6 +200,10 @@ class ExecutionUnitInputItemSchemaForPhysicsBasedSimulationEngines(BaseModel):
     """
     Content of the input file. e.g. &CONTROL    calculation='scf' ...
     """
+    rendered: str
+    """
+    Rendered content of the input file. e.g. &CONTROL    calculation='scf' ...
+    """
 
 
 class Status(Enum):

mat3ra/esse/models/software_directory/scripting/unit/execution.py

@@ -200,6 +200,10 @@ class ExecutionUnitInputItemSchemaForPhysicsBasedSimulationEngines(BaseModel):
     """
     Content of the input file. e.g. &CONTROL    calculation='scf' ...
     """
+    rendered: str
+    """
+    Rendered content of the input file. e.g. &CONTROL    calculation='scf' ...
+    """
 
 
 class Status(Enum):

mat3ra/esse/models/workflow/unit/input/_input.py

@@ -18,6 +18,10 @@ class ExecutionUnitInputItemSchemaForPhysicsBasedSimulationEngines(BaseModel):
     """
     Content of the input file. e.g. &CONTROL    calculation='scf' ...
     """
+    rendered: str
+    """
+    Rendered content of the input file. e.g. &CONTROL    calculation='scf' ...
+    """
 
 
 class ExecutionUnitInputIdItemSchemaForPhysicsBasedSimulationEngines(BaseModel):

mat3ra/esse/models/workflow/unit/input/_inputItem.py

@@ -16,3 +16,7 @@ class ExecutionUnitInputItemSchemaForPhysicsBasedSimulationEngines(BaseModel):
     """
     Content of the input file. e.g. &CONTROL    calculation='scf' ...
     """
+    rendered: str
+    """
+    Rendered content of the input file. e.g. &CONTROL    calculation='scf' ...
+    """

{mat3ra_esse-2025.7.29.post0.dist-info → mat3ra_esse-2025.8.6.post1.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: mat3ra-esse
-Version: 2025.7.29.post0
+Version: 2025.8.6.post1
 Summary: Excellent Source of Schemas and Examples.
 Author-email: "Exabyte Inc." <info@mat3ra.com>
 License: # LICENSE

{mat3ra_esse-2025.7.29.post0.dist-info → mat3ra_esse-2025.8.6.post1.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=jF982VT49a5-1eFOmnXKZtEHu6mKW8nYXOdLvHEVzUY,147700
+mat3ra/esse/data/examples.py,sha256=IRKlXpR535KjfwLGC7w5tFS2kRswZY5RMyQlWTyGBmE,145089
 mat3ra/esse/data/properties.py,sha256=geWFIVIJbdn2Q_JG3Mz36oQ_dXeZZwnmlS_NgszvHUY,6099
-mat3ra/esse/data/schemas.py,sha256=o1UufKwkoyUxtbeqFk_bmADqUFymygWSRcPz--FBks0,3391019
+mat3ra/esse/data/schemas.py,sha256=6LoF62EifzgOwfqNErJ29jRjnyog88_bIQ6Su1l-vBU,3160298
 mat3ra/esse/models/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/element.py,sha256=feq5AcyAG_LF0JNu1Sv5Jgej2GIJYKWrQUmIcz2gJN4,2950
+mat3ra/esse/models/element.py,sha256=xuuFQRP6wE4SFXggipRsAexGPo10DorQqoWUG_pUnPA,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=gU5JM-f7uvRk8kz5ayScvIHjwI8lyQZpCHfWJ5ob0gM,74729
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw_x.py,sha256=m-EhqHtY0_VC9Mzr4czjl2USnoAUUVNttfEug9eSMJw,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
@@ -84,7 +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=ybBrQxC0Ik95_K2EJ7pG6VKSZdJBjLw4QxmahWq7X5s,514
+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/object_storage_container_data.py,sha256=LKvflErRqZIS2U4L586Dqkb5PN5BJd0oNUp2h0B4R4Q,834
@@ -116,38 +116,37 @@ mat3ra/esse/models/in_memory_entity/named_defaultable_runtime_items.py,sha256=g7
 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=sXyeXaO8-JrbzhL5jO-j9xwl5D5nteVWUbHbmKGntGU,11687
+mat3ra/esse/models/material/__init__.py,sha256=ZMAUxmfDM0DSDb4cMbOYmGG6DVfFhqvSCkUKH_oLP2A,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/compound_pristine_structures/two_dimensional/interface/configuration.py,sha256=Lss6YpLPEMc0qs-uOP_w_5_DS9rIi3PaGGBUlgP82is,97025
 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/one_dimensional/grain_boundary_linear/configuration.py,sha256=zubibL2yTa343fO4scincqVe72EnpnfRufl46_7sExo,97149
 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/adatom/configuration.py,sha256=zeuPPxKU5by-gg9-uHN-XFT86oPqDnQG7QWT3bwq0v4,46017
 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/grain_boundary_planar/configuration.py,sha256=p8Ymxq_DIDGahz8PoGgFFVShur9qnZmkY81M738frog,96704
 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/island/configuration.py,sha256=KaE8HQBXGO1JdnWCFQbPvT5nrjxKNHFAShMYURkbaOY,65197
 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/two_dimensional/terrace/configuration.py,sha256=lPSIhaIOYDkoheWohie0z-kHHCPOtSwyIYaECQ6QoVw,65388
 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/defective_structures/zero_dimensional/point_defect/interstitial.py,sha256=agQO-24UY_HExqjbcIb9JrnTT9baoDDEem9NxTCZpCs,23526
+mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.py,sha256=Tui0-ovc6sNreBiLvQoD7Ndz44zHLIurK_QZ3T4tGfQ,23532
+mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.py,sha256=_d2DG1JVPDCjsKvOpQhH0axhWDp9BR06K62mJ5r8ReQ,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=6e7ID3_KvNx3qbRkuCiuHuNpZISCa_YrFke2W246SyM,11753
+mat3ra/esse/models/materials_category/pristine_structures/three_dimensional/ideal_crystal.py,sha256=_c4rgXKiN8vtiPBDCq2I0QSo92vHWNkx3ctC7NeePa4,11753
 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/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/pristine_structures/two_dimensional/nanoribbon.py,sha256=Gr8nn5VNui5L-PPMt1KjUBpqoyANczLb8Otj01v5ydE,35417
+mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanotape.py,sha256=F7IR9SoaGUqjIImWY08S4ohQnlROTEwndaD0w9DFjEo,25493
+mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab.py,sha256=HxDISOLJruAOttTyJQu7ZRDPbSTF4qavcbo9MQNeYGg,24737
+mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.py,sha256=IhTDPwY3uGX15UBmXwlSHfLOkLJmhrbNNA8vn6R_vww,25473
 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/processed_structures/two_dimensional/passivation/configuration.py,sha256=DPYIs_ICWnjFkZlWArImG_j6l3YH1zBdHb3crQSxsaE,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
@@ -157,43 +156,43 @@ 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=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/crystal_site.py,sha256=MPGVcAYLAElkrl_dger2cywpTpPbmIRns_xD96JPmB0,12035
+mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.py,sha256=7B3qYwFWhJgkNjJynlZrbkTyzq2hDSGBowLg1k0fyW4,14031
+mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/void_region.py,sha256=-76oSOGvbmc2gOs8SigCevFWxSKD-Nxs0LnKtBIrIyY,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=BBUz1QcXmTIsJFk3GKsn7MpRpTUX8-lKUEx4ULiLqtA,11747
+mat3ra/esse/models/materials_category_components/entities/core/three_dimensional/crystal.py,sha256=PegLCC_-FHSSIPIhi3vR5LCuFZiNXB9ktjVKD03rxSs,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=8Ds3DlHEnrDaB_FuRaPNRf4pM3WB0OsSllV-tJUGZGY,12187
+mat3ra/esse/models/materials_category_components/entities/core/two_dimensional/vacuum.py,sha256=m6Cp3CZSTZNR7QWZkINQWcrAdrJmVV-FdUOy66-e9hI,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
 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
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 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
 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_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
 mat3ra/esse/models/materials_category_components/operations/core/combinations/merge.py,sha256=tSpvUjSLW3FKxS4bG9989wV9KjXa-JbPTeF0UBk27n8,551
-mat3ra/esse/models/materials_category_components/operations/core/combinations/stack.py,sha256=RyRiiCG-w8AVkLydQEuFNqFTX5iO6CYGqmCptG_ypR8,478
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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
-mat3ra/esse/models/materials_category_components/operations/core/modifications/perturb.py,sha256=phMrlaHj43TYi3aQlqS3mQxCq-XBqgx9LGxBeftPz8M,12036
+mat3ra/esse/models/materials_category_components/operations/core/modifications/perturb.py,sha256=Xy5XI468xs1Vd1SLsUwBYV_EnHl6LFB0t4gaE4a5XVo,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
@@ -373,7 +372,7 @@ 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=9xpPhowOTL346Tx1UD10d6ecYcTxtDP05-eYKNaHiQc,3021
+mat3ra/esse/models/properties_directory/derived_properties.py,sha256=YUnAk7sKRMgb1xRVRKZT695wYDimfMy1JbQjMJA3h70,3021
 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
@@ -384,31 +383,31 @@ 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=VEwer9w_GT9JPY1xY_tz49J_8wfg5kDVpv24ulNWo0k,2012
+mat3ra/esse/models/properties_directory/non_scalar/density_of_states.py,sha256=onhpbPYy90AV5jVH7MQNj6DSO_ivEMbg-IDOR3iF5jg,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
-mat3ra/esse/models/properties_directory/non_scalar/phonon_dispersions.py,sha256=atMl4Hf2geZ6ZXiYCJ1iAZ_sUBC4-yYnqT9qvYJ9r1I,1384
-mat3ra/esse/models/properties_directory/non_scalar/phonon_dos.py,sha256=ub1eqrlU8tvK30CkUGehSwBpI3qZCqzFMM8CmARvLKc,1405
+mat3ra/esse/models/properties_directory/non_scalar/phonon_dispersions.py,sha256=53LbI43LngVvmDK63gzAhQkqGMp7SdOQtaA4Q1AnKoo,1384
+mat3ra/esse/models/properties_directory/non_scalar/phonon_dos.py,sha256=hlcW6GgSqAMB1QdpD8AAZIaKEOqt9UM3v5-x4PeCHtw,1405
 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=r7DQ4tX05KZopNMmm0E0u_CtzEeuDIfC7IXHnsPis0A,4482
-mat3ra/esse/models/properties_directory/non_scalar/vibrational_spectrum.py,sha256=PTrV5Bqe_sef0jj3pqe0O9VloDrrU352YgAFljDQEJo,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=cgfs28pHojnDZxYIjB5cmZqlRIjDuJl_mdaawMlHSK8,614
-mat3ra/esse/models/properties_directory/scalar/fermi_energy.py,sha256=p4uqzelhIIt4JcUspNSwwhkZEUvF3kxCq0XgBIkESg8,594
-mat3ra/esse/models/properties_directory/scalar/formation_energy.py,sha256=j0_ZNnzdYl3hR4HqwO9VTML3V7yKq8TBrkujJTbj7u8,610
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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=gPwELRpb5ymH4iqjGhmzYNarPB5xDRMcm473yt1kT5o,621
-mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py,sha256=vXBO1FrhnQMbvBWa8AOTmyjTd1PtbcU2Tl1s7CmFvDA,613
+mat3ra/esse/models/properties_directory/scalar/valence_band_offset.py,sha256=UqwUtnC0G6qL3w8iXmX0ngsTvwKi_kMAADi97sYL71I,621
+mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py,sha256=YTXLm38THxIwLxtnQ73CByZAV2wdwQo55MPWClqy99I,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
@@ -416,7 +415,7 @@ 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=L7cLy48_lw7YuiOa3_c2RgSX_0noyafIvp9YkZ42NMk,1793
+mat3ra/esse/models/properties_directory/structural/molecular_pattern.py,sha256=Oo38U4yQ0BnXO0ws4k8ULzPXMFneWfBNps4IaS9LKgg,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
@@ -447,7 +446,7 @@ 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=xUFjTrJQ8tIZYjh7YVqOWs5wnizX9bT61gizG6rWh8A,1308
+mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py,sha256=_h5SM9tWtL3ZQkHfJ39cvTgkhDgKXzGN3l1flQ7YRsc,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
@@ -466,7 +465,7 @@ mat3ra/esse/models/software/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiO
 mat3ra/esse/models/software/application.py,sha256=_GYziemq6s_Cqvra7qT-ZdT_ib168hlqA7GxRS-KLk8,1359
 mat3ra/esse/models/software/executable.py,sha256=pLG2bpGO1baoOLNY1zK1AeNueSvSnJWqEVGRHejfex8,1630
 mat3ra/esse/models/software/flavor.py,sha256=jfuIS4FACisUbagX3zvdRD16TpRnQ9eui-mLVWg1nno,2333
-mat3ra/esse/models/software/template.py,sha256=Vx1ZSRDGsZpICjfwwLuqZbIiUSVv6ziHmA0KVKg-wvg,1037
+mat3ra/esse/models/software/template.py,sha256=t-D9dRt3FzY7p452VkzWxmr0pS9gKJ8qpyO5wcctIN4,1150
 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
@@ -489,13 +488,13 @@ 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
-mat3ra/esse/models/software_directory/modeling/unit/execution.py,sha256=DkoCOBPBEyyauofdpVsJgBzkWUYmv--WpQmoxUEafso,8002
+mat3ra/esse/models/software_directory/modeling/unit/execution.py,sha256=0cQbEAAwHTNIVlhuzR9-20ravimp0s4ICIa6m4ukMAE,8115
 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
-mat3ra/esse/models/software_directory/scripting/unit/execution.py,sha256=3k22_sx10lUghUujL_U2m3VdvEVos5wOp0PRYNMnIic,7971
+mat3ra/esse/models/software_directory/scripting/unit/execution.py,sha256=tSaaKxtJa0Bs7c5f0LVDtRykkQWi9kqKcvvWe_9lSDg,8084
 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
@@ -548,8 +547,8 @@ mat3ra/esse/models/workflow/unit/processing.py,sha256=DyJe3LQ6k1CWmezkc0Vg5aB3_W
 mat3ra/esse/models/workflow/unit/reduce.py,sha256=nSu3YZOuruqwdzWxoTL8m8R5d5NIx9D3i27TqHvisW4,2992
 mat3ra/esse/models/workflow/unit/subworkflow.py,sha256=PkZFIbiW8Vhi8BTn1r8gi5f3T8GKVGK1BRCyFW9XYXE,2648
 mat3ra/esse/models/workflow/unit/input/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/workflow/unit/input/_input.py,sha256=2CGxyRnYkdKy1kJmHiCPhbIrUqkZjsMF0072iqpYJvs,1189
-mat3ra/esse/models/workflow/unit/input/_inputItem.py,sha256=PF8nSvxJ3SlHpf8N42NlZshw7yqFvb_qsO6ST-BLnHc,425
+mat3ra/esse/models/workflow/unit/input/_input.py,sha256=E5XgVUuwtTIodyjVqfpksAym2DooMv5onyJpWqeIaLE,1302
+mat3ra/esse/models/workflow/unit/input/_inputItem.py,sha256=k8fVHW9kKRt8VGbBwUF22WJsF6qwUuySDsGoO4nXkqo,538
 mat3ra/esse/models/workflow/unit/input/_inputItemId.py,sha256=Fz8Nad2oYiSWv4_r_udzjTAn3klBXaM32Vx6Nx5h6mQ,555
 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
@@ -564,8 +563,8 @@ mat3ra/esse/models/workflow/unit/runtime/_runtime_item_name_object.py,sha256=CIb
 mat3ra/esse/models/workflow/unit/runtime/_runtime_item_string.py,sha256=VouM6ETdIKTiktSTeEpP2pdHZuYHwHrir4W5TLoO_sE,354
 mat3ra/esse/models/workflow/unit/runtime/runtime_item.py,sha256=PujG7jcL8RDok9RSJiEKEB85-uGLoimVnK2k7gqyf2I,471
 mat3ra/esse/models/workflow/unit/runtime/runtime_items.py,sha256=Yi53LFKBWqx8oGA1Po38ulfSy-QaBP38VwWk45Q7ZJQ,943
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-mat3ra_esse-2025.7.29.post0.dist-info/METADATA,sha256=Gku17EXsf-pDlMVoOJimSdkQaepseNe495AWSqF4EG4,9013
-mat3ra_esse-2025.7.29.post0.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
-mat3ra_esse-2025.7.29.post0.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
-mat3ra_esse-2025.7.29.post0.dist-info/RECORD,,
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+mat3ra_esse-2025.8.6.post1.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+mat3ra_esse-2025.8.6.post1.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
+mat3ra_esse-2025.8.6.post1.dist-info/RECORD,,