mat3ra-esse 2025.4.15.post0__tar.gz → 2025.4.22.post0__tar.gz

{mat3ra_esse-2025.4.15.post0 → mat3ra_esse-2025.4.22.post0}/.gitignore

@@ -4,7 +4,7 @@
 Vagrantfile
 htmlcov_*
 coverage_*.xml
-.venv/
+.venv*
 .coverage
 
 *.gem

{mat3ra_esse-2025.4.15.post0 → mat3ra_esse-2025.4.22.post0}/.pre-commit-config.yaml

@@ -3,9 +3,9 @@ repos:
     rev: 2023.6.13
     hooks:
       - id: ruff
-        exclude: ^src/py/mat3ra/esse/data|^src/py/mat3ra/esse/models
+        exclude: ^src/py/mat3ra/esse/data|^src/py/mat3ra/esse/models|^dist*
       - id: black
-        exclude: ^src/py/mat3ra/esse/data|^src/py/mat3ra/esse/models
+        exclude: ^src/py/mat3ra/esse/data|^src/py/mat3ra/esse/models|^dist*
   - repo: local
     hooks:
       # Note: only python 3.8.12 is tested for the model generation
@@ -25,10 +25,7 @@ repos:
                 --use-title-as-name \
                 --class-name ESSE \
                 --disable-timestamp \
-                --use-default && \
-            # Move 3rd party modules to a separate directory with a PEP8 compliant name
-            rm -rf ./dist/py/third_party && \
-            mv ./dist/py/3pse ./dist/py/third_party'
+                --use-default'
         language: system
         pass_filenames: false
         verbose: true

{mat3ra_esse-2025.4.15.post0 → mat3ra_esse-2025.4.22.post0}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: mat3ra-esse
-Version: 2025.4.15.post0
+Version: 2025.4.22.post0
 Summary: Excellent Source of Schemas and Examples.
 Author-email: "Exabyte Inc." <info@mat3ra.com>
 License: # LICENSE

mat3ra_esse-2025.4.22.post0/example/core/primitive/array_of_3_booleans.json

@@ -0,0 +1,5 @@
+[
+    true,
+    false,
+    false
+]

mat3ra_esse-2025.4.22.post0/example/properties_directory/structural/basis/atomic_coordinates.json

@@ -0,0 +1,18 @@
+[
+    {
+        "id": 1,
+        "value": [
+            0,
+            0,
+            0
+        ]
+    },
+    {
+        "id": 2,
+        "value": [
+            0.25,
+            0.25,
+            0.25
+        ]
+    }
+]

mat3ra_esse-2025.4.22.post0/example/properties_directory/structural/basis/atomic_elements.json

@@ -0,0 +1,10 @@
+[
+    {
+        "id": 0,
+        "value": "Si"
+    },
+    {
+        "id": 1,
+        "value": "Si"
+    }
+]

mat3ra_esse-2025.4.22.post0/example/properties_directory/structural/basis/atomic_label.json

@@ -0,0 +1,4 @@
+{
+    "id": 0,
+    "value": 3
+}

mat3ra_esse-2025.4.22.post0/example/properties_directory/structural/basis/atomic_labels.json

@@ -0,0 +1,10 @@
+[
+    {
+        "id": 0,
+        "value": "1"
+    },
+    {
+        "id": 1,
+        "value": 2
+    }
+]

mat3ra_esse-2025.4.15.post0/example/properties_directory/structural/lattice/lattice_bravais.json → mat3ra_esse-2025.4.22.post0/example/properties_directory/structural/lattice.json

@@ -1,4 +1,5 @@
 {
+    "name": "lattice",
     "a": 5.14,
     "alpha": 90.0,
     "b": 5.14,
@@ -9,5 +10,8 @@
     "units": {
         "angle": "degree",
         "length": "angstrom"
+    },
+    "vectors": {
+        "...": "include(lattice/vectors.json)"
     }
 }

{mat3ra_esse-2025.4.15.post0 → mat3ra_esse-2025.4.22.post0}/package.json

@@ -83,8 +83,8 @@
         "node": ">=14.0.0"
     },
     "lint-staged": {
-        "*.js": "eslint --cache --fix",
-        "*.{js,css}": "prettier --write"
+        "*.js,!dist/**/*": "eslint --cache --fix",
+        "*.{js,css},!dist/**/*": "prettier --write"
     },
     "exports": {
         "./dist/js/schema/*.json": "./dist/js/schema/*.json",

{mat3ra_esse-2025.4.15.post0/schema/3pse → mat3ra_esse-2025.4.22.post0/schema/apse}/db/nist_jarvis/2024.3.13/atoms.json

@@ -1,5 +1,5 @@
 {
-    "$id": "3pse/db/nist-jarvis/2024.3.13/atoms",
+    "$id": "apse/db/nist-jarvis/2024.3.13/atoms",
     "$schema": "http://json-schema.org/draft-07/schema#",
     "title": "NIST JARVIS Atoms schema",
     "description": "NIST J.A.R.V.I.S. db entry `atoms` key schema. Based on https://figshare.com/articles/dataset/Monolayer_data_for_heterostructure/22344571",

{mat3ra_esse-2025.4.15.post0/schema/3pse → mat3ra_esse-2025.4.22.post0/schema/apse}/db/nist_jarvis/2024.3.13/db_entry.json

@@ -1,5 +1,5 @@
 {
-    "$id": "3pse/db/nist-jarvis/2024.3.13/db-entry",
+    "$id": "apse/db/nist-jarvis/2024.3.13/db-entry",
     "$schema": "http://json-schema.org/draft-07/schema#",
     "title": "NIST JARVIS db entry schema",
     "description": "NIST J.A.R.V.I.S. db entry `atoms` key schema. Based on https://figshare.com/articles/dataset/Monolayer_data_for_heterostructure/22344571",

{mat3ra_esse-2025.4.15.post0/schema/3pse → mat3ra_esse-2025.4.22.post0/schema/apse}/file/applications/espresso/7.2/pw.x/atomic_positions.json

@@ -1,5 +1,5 @@
 {
-    "$id": "3pse/file/applications/espresso/7.2/pw.x/atomic-positions",
+    "$id": "apse/file/applications/espresso/7.2/pw.x/atomic-positions",
     "$schema": "http://json-schema.org/draft-07/schema#",
     "title": "atomic positions schema",
     "description": "https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm1493",

{mat3ra_esse-2025.4.15.post0/schema/3pse → mat3ra_esse-2025.4.22.post0/schema/apse}/file/applications/espresso/7.2/pw.x/atomic_species.json

@@ -1,5 +1,5 @@
 {
-    "$id": "3pse/file/applications/espresso/7.2/pw.x/atomic-species",
+    "$id": "apse/file/applications/espresso/7.2/pw.x/atomic-species",
     "$schema": "http://json-schema.org/draft-07/schema#",
     "title": "atomic species schema",
     "type": "object",

{mat3ra_esse-2025.4.15.post0/schema/3pse → mat3ra_esse-2025.4.22.post0/schema/apse}/file/applications/espresso/7.2/pw.x/cell.json

@@ -1,5 +1,5 @@
 {
-    "$id": "3pse/file/applications/espresso/7.2/pw.x/cell",
+    "$id": "apse/file/applications/espresso/7.2/pw.x/cell",
     "$schema": "http://json-schema.org/draft-07/schema#",
     "title": "cell schema",
     "type": "object",

{mat3ra_esse-2025.4.15.post0/schema/3pse → mat3ra_esse-2025.4.22.post0/schema/apse}/file/applications/espresso/7.2/pw.x/cell_parameters.json

@@ -1,5 +1,5 @@
 {
-    "$id": "3pse/file/applications/espresso/7.2/pw.x/cell-parameters",
+    "$id": "apse/file/applications/espresso/7.2/pw.x/cell-parameters",
     "$schema": "http://json-schema.org/draft-07/schema#",
     "title": "cell parameters schema",
     "type": "object",

{mat3ra_esse-2025.4.15.post0/schema/3pse → mat3ra_esse-2025.4.22.post0/schema/apse}/file/applications/espresso/7.2/pw.x/control.json

@@ -1,5 +1,5 @@
 {
-    "$id": "3pse/file/applications/espresso/7.2/pw.x/control",
+    "$id": "apse/file/applications/espresso/7.2/pw.x/control",
     "$schema": "http://json-schema.org/draft-07/schema#",
     "title": "control schema",
     "type": "object",

{mat3ra_esse-2025.4.15.post0/schema/3pse → mat3ra_esse-2025.4.22.post0/schema/apse}/file/applications/espresso/7.2/pw.x/electrons.json

@@ -1,5 +1,5 @@
 {
-    "$id": "3pse/file/applications/espresso/7.2/pw.x/electrons",
+    "$id": "apse/file/applications/espresso/7.2/pw.x/electrons",
     "$schema": "http://json-schema.org/draft-07/schema#",
     "title": "electrons schema",
     "type": "object",

{mat3ra_esse-2025.4.15.post0/schema/3pse → mat3ra_esse-2025.4.22.post0/schema/apse}/file/applications/espresso/7.2/pw.x/hubbard.json

@@ -1,5 +1,5 @@
 {
-    "$id": "3pse/file/applications/espresso/7.2/pw.x/hubbard",
+    "$id": "apse/file/applications/espresso/7.2/pw.x/hubbard",
     "$schema": "http://json-schema.org/draft-07/schema#",
     "title": "hubbard schema",
     "type": "object",

{mat3ra_esse-2025.4.15.post0/schema/3pse → mat3ra_esse-2025.4.22.post0/schema/apse}/file/applications/espresso/7.2/pw.x/ions.json

@@ -1,5 +1,5 @@
 {
-    "$id": "3pse/file/applications/espresso/7.2/pw.x/ions",
+    "$id": "apse/file/applications/espresso/7.2/pw.x/ions",
     "$schema": "http://json-schema.org/draft-07/schema#",
     "title": "ions schema",
     "type": "object",

{mat3ra_esse-2025.4.15.post0/schema/3pse → mat3ra_esse-2025.4.22.post0/schema/apse}/file/applications/espresso/7.2/pw.x/k_points.json

@@ -1,5 +1,5 @@
 {
-    "$id": "3pse/file/applications/espresso/7.2/pw.x/k-points",
+    "$id": "apse/file/applications/espresso/7.2/pw.x/k-points",
     "$schema": "http://json-schema.org/draft-07/schema#",
     "title": "k points schema",
     "type": "object",

{mat3ra_esse-2025.4.15.post0/schema/3pse → mat3ra_esse-2025.4.22.post0/schema/apse}/file/applications/espresso/7.2/pw.x/system.json

@@ -1,5 +1,5 @@
 {
-    "$id": "3pse/file/applications/espresso/7.2/pw.x/system",
+    "$id": "apse/file/applications/espresso/7.2/pw.x/system",
     "$schema": "http://json-schema.org/draft-07/schema#",
     "title": "system schema",
     "type": "object",

{mat3ra_esse-2025.4.15.post0/schema/3pse → mat3ra_esse-2025.4.22.post0/schema/apse}/file/applications/espresso/7.2/pw.x.json

@@ -1,5 +1,5 @@
 {
-    "$id": "3pse/file/applications/espresso/7.2/pw.x",
+    "$id": "apse/file/applications/espresso/7.2/pw.x",
     "$schema": "http://json-schema.org/draft-07/schema#",
     "title": "pwx main schema",
     "additionalProperties": false,

mat3ra_esse-2025.4.22.post0/schema/core/abstract/coordinate_3d.json

@@ -0,0 +1,10 @@
+{
+    "$id": "core/abstract/coordinate-3d",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "coordinate 3d schema",
+    "allOf": [
+        {
+            "$ref": "../primitive/array_of_3_numbers.json"
+        }
+    ]
+}

mat3ra_esse-2025.4.15.post0/schema/core/abstract/3d_tensor.json → mat3ra_esse-2025.4.22.post0/schema/core/abstract/matrix_3x3.json

@@ -1,7 +1,7 @@
 {
-    "$id": "core/abstract/3d-tensor",
+    "$id": "core/abstract/matrix-3x3",
     "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "3 dimensional tensor schema",
+    "title": "matrix 3x3 schema",
     "type": "array",
     "items": {
         "$ref": "../primitive/array_of_3_numbers.json"

mat3ra_esse-2025.4.15.post0/schema/core/abstract/point.json → mat3ra_esse-2025.4.22.post0/schema/core/abstract/vector_3d.json

@@ -1,7 +1,7 @@
 {
-    "$id": "core/abstract/point",
+    "$id": "core/abstract/vector-3d",
     "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "point schema",
+    "title": "vector 3d schema",
     "allOf": [
         {
             "$ref": "../primitive/array_of_3_numbers.json"

mat3ra_esse-2025.4.15.post0/schema/core/abstract/vector.json → mat3ra_esse-2025.4.22.post0/schema/core/abstract/vector_boolean_3d.json

@@ -1,11 +1,8 @@
 {
-    "$id": "core/abstract/vector",
+    "$id": "core/abstract/vector-boolean-3d",
     "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "vector schema",
+    "title": "vector boolean 3d schema",
     "oneOf": [
-        {
-            "$ref": "../primitive/array_of_3_numbers.json"
-        },
         {
             "$ref": "../primitive/array_of_3_booleans.json"
         }

mat3ra_esse-2025.4.22.post0/schema/core/primitive/array_of_ids.json

@@ -0,0 +1,10 @@
+{
+    "$id": "core/primitive/array-of-ids",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "array of ids",
+    "description": "array of objects containing integer id each",
+    "type": "array",
+    "items": {
+        "$ref": "./object_with_id.json"
+    }
+}

mat3ra_esse-2025.4.22.post0/schema/core/primitive/object_with_id.json

@@ -0,0 +1,17 @@
+{
+    "$id": "core/primitive/object-with-id",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "object with id",
+    "description": "object containing integer id",
+    "type": "object",
+    "properties": {
+        "id": {
+            "description": "integer id of this entry",
+            "type": "integer"
+        }
+    },
+    "required": [
+        "id"
+    ]
+}
+

mat3ra_esse-2025.4.22.post0/schema/core/primitive/object_with_id_and_value.json

@@ -0,0 +1,22 @@
+{
+    "$id": "core/primitive/object-with-id-and-value",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "object with id and value schema",
+    "description": "object containing integer id and value each",
+    "type": "object",
+    "allOf": [
+        {
+            "$ref": "./object_with_id.json"
+        }
+    ],
+    "properties": {
+        "value": {
+            "description": "value of this entry"
+        }
+    },
+    "required": [
+        "id",
+        "value"
+    ]
+}
+

mat3ra_esse-2025.4.22.post0/schema/core/reusable/atomic_string.json

@@ -0,0 +1,15 @@
+{
+    "$id": "core/reusable/atomic-string",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "atomic string schema",
+    "allOf": [
+        {
+            "$ref": "../primitive/object_with_id_and_value.json"
+        }
+    ],
+    "properties": {
+        "value": {
+            "type": "string"
+        }
+    }
+}

mat3ra_esse-2025.4.22.post0/schema/core/reusable/atomic_vector.json

@@ -0,0 +1,15 @@
+{
+    "$id": "core/reusable/atomic-vector",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "atomic vector schema",
+    "allOf": [
+        {
+            "$ref": "../primitive/object_with_id_and_value.json"
+        }
+    ],
+    "properties": {
+        "value": {
+            "$ref": "../abstract/vector_3d.json"
+        }
+    }
+}

mat3ra_esse-2025.4.22.post0/schema/core/reusable/atomic_vectors.json

@@ -0,0 +1,9 @@
+{
+    "$id": "core/reusable/atomic-vectors",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "atomic vectors schema",
+    "type": "array",
+    "items": {
+        "$ref": "./atomic_vector.json"
+    }
+}

{mat3ra_esse-2025.4.15.post0 → mat3ra_esse-2025.4.22.post0}/schema/core/reusable/band_gap.json

@@ -11,11 +11,11 @@
     "properties": {
         "kpointConduction": {
             "description": "kpoint inside conduction band in crystal coordinates",
-            "$ref": "../abstract/point.json"
+            "$ref": "../reusable/kpoint.json"
         },
         "kpointValence": {
             "description": "kpoint inside valence band in crystal coordinates",
-            "$ref": "../abstract/point.json"
+            "$ref": "../reusable/kpoint.json"
         },
         "eigenvalueConduction": {
             "description": "eigenvalue at k-point in conduction band",

mat3ra_esse-2025.4.22.post0/schema/core/reusable/kpoint.json

@@ -0,0 +1,11 @@
+{
+    "$id": "core/abstract/kpoint",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "kpoint schema",
+    "description": "A k-point is a point in reciprocal space of a crystal.",
+    "allOf": [
+        {
+            "$ref": "../abstract/coordinate_3d.json"
+        }
+    ]
+}

{mat3ra_esse-2025.4.15.post0 → mat3ra_esse-2025.4.22.post0}/schema/properties_directory/non-scalar/band_gaps.json

@@ -22,7 +22,7 @@
                 "type": "object",
                 "properties": {
                     "kpoint": {
-                        "$ref": "../../core/abstract/point.json"
+                        "$ref": "../../core/reusable/kpoint.json"
                     },
                     "weight": {
                         "type": "number"

{mat3ra_esse-2025.4.15.post0 → mat3ra_esse-2025.4.22.post0}/schema/properties_directory/non-scalar/stress_tensor.json

@@ -5,7 +5,7 @@
     "type": "object",
     "properties": {
         "value": {
-            "$ref": "../../core/abstract/3d_tensor.json"
+            "$ref": "../../core/abstract/matrix_3x3.json"
         },
         "name": {
             "enum": [

mat3ra_esse-2025.4.22.post0/schema/properties_directory/structural/basis/atomic_constraint.json

@@ -0,0 +1,17 @@
+{
+    "$id": "properties-directory/structural/basis/atomic-constraint",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "atomic constraint schema",
+    "description": "constraint of atoms by ids, used to constraint the position etc.",
+    "type": "object",
+    "allOf": [
+        {
+            "$ref": "../../../core/primitive/object_with_id_and_value.json"
+        }
+    ],
+    "properties": {
+        "value": {
+            "$ref": "../../../core/abstract/vector_boolean_3d.json"
+        }
+    }
+}

mat3ra_esse-2025.4.22.post0/schema/properties_directory/structural/basis/atomic_constraints.json

@@ -0,0 +1,10 @@
+{
+    "$id": "properties-directory/structural/basis/atomic-constraints",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "atomic constraints schema",
+    "description": "atomic constraints schema",
+    "type": "array",
+    "items": {
+        "$ref": "./atomic_constraint.json"
+    }
+}

mat3ra_esse-2025.4.15.post0/schema/properties_directory/structural/basis/atomic_constraints.json → mat3ra_esse-2025.4.22.post0/schema/properties_directory/structural/basis/atomic_constraints_property.json

@@ -1,8 +1,8 @@
 {
-    "$id": "properties-directory/structural/basis/atomic-constraints",
+    "$id": "properties-directory/structural/basis/atomic-constraints-property",
     "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "atomic constraints",
-    "description": "atomic constraints schema",
+    "title": "atomic constraints property schema",
+    "description": "atomic constraints property schema (as stored in a database)",
     "type": "object",
     "properties": {
         "name": {
@@ -11,7 +11,7 @@
             ]
         },
         "values": {
-            "$ref": "../../../core/reusable/atomic_vectors.json"
+            "$ref": "./atomic_constraints.json"
         }
     }
 }

mat3ra_esse-2025.4.22.post0/schema/properties_directory/structural/basis/atomic_coordinate.json

@@ -0,0 +1,17 @@
+{
+    "$id": "properties-directory/structural/basis/atomic-coordinate",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "atomic coordinate schema",
+    "description": "coordinate of an atom",
+    "type": "object",
+    "allOf": [
+        {
+            "$ref": "../../../core/primitive/object_with_id_and_value.json"
+        }
+    ],
+    "properties": {
+        "value": {
+            "$ref": "../../../core/abstract/coordinate_3d.json"
+        }
+    }
+}

mat3ra_esse-2025.4.22.post0/schema/properties_directory/structural/basis/atomic_coordinates.json

@@ -0,0 +1,10 @@
+{
+    "$id": "properties-directory/structural/basis/atomic-coordinates",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "atomic coordinates schema",
+    "description": "atomic coordinates schema",
+    "type": "array",
+    "items": {
+        "$ref": "./atomic_coordinate.json"
+    }
+}

mat3ra_esse-2025.4.22.post0/schema/properties_directory/structural/basis/atomic_element.json

@@ -0,0 +1,11 @@
+{
+    "$id": "properties-directory/structural/basis/atomic-element",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "atomic element schema",
+    "description": "chemical element of an atom according to the periodic table",
+    "allOf": [
+        {
+            "$ref": "../../../core/reusable/atomic_string.json"
+        }
+    ]
+}

mat3ra_esse-2025.4.22.post0/schema/properties_directory/structural/basis/atomic_elements.json

@@ -0,0 +1,10 @@
+{
+    "$id": "properties-directory/structural/basis/atomic-elements",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "atomic elements schema",
+    "description": "atomic elements schema",
+    "type": "array",
+    "items": {
+        "$ref": "./atomic_element.json"
+    }
+}

mat3ra_esse-2025.4.22.post0/schema/properties_directory/structural/basis/atomic_label.json

@@ -0,0 +1,29 @@
+{
+    "$id": "properties-directory/structural/basis/atomic-label",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "atomic label schema",
+    "description": "Optional label (e.g., 1, 2, as in Fe1, Fe2) to distinguish species, e.g. to have magnetic moment.",
+    "type": "object",
+    "allOf": [
+        {
+            "$ref": "../../../core/primitive/object_with_id_and_value.json"
+        }
+    ],
+    "properties": {
+        "value": {
+            "anyOf": [
+                {
+                    "type": [
+                        "integer",
+                        "string",
+                        "number"
+                    ]
+                },
+                {
+                    "description": "Atomic label according to QE format. TODO: move to workflow context.",
+                    "$ref": "../../../core/primitive/integer_positive_single_digit.json"
+                }
+            ]
+        }
+    }
+}

mat3ra_esse-2025.4.22.post0/schema/properties_directory/structural/basis/atomic_labels.json

@@ -0,0 +1,10 @@
+{
+    "$id": "properties-directory/structural/basis/atomic-labels",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "atomic labels schema",
+    "description": "atomic labels schema",
+    "type": "array",
+    "items": {
+        "$ref": "./atomic_label.json"
+    }
+}

mat3ra_esse-2025.4.22.post0/schema/properties_directory/structural/basis/units_enum.json

@@ -0,0 +1,10 @@
+{
+    "$id": "properties-directory/structural/basis/units-enum",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "basis units enum",
+    "allOf": [
+        {
+            "$ref": "../../../definitions/units.json#/coordinates_basis"
+        }
+    ]
+}

mat3ra_esse-2025.4.22.post0/schema/properties_directory/structural/basis.json

@@ -0,0 +1,24 @@
+{
+    "$id": "properties-directory/structural/basis",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "basis schema",
+    "type": "object",
+    "properties": {
+        "elements": {
+            "$ref": "./basis/atomic_elements.json"
+        },
+        "coordinates": {
+            "$ref": "./basis/atomic_coordinates.json"
+        },
+        "units": {
+            "$ref": "basis/units_enum.json"
+        },
+        "labels": {
+            "$ref": "./basis/atomic_labels.json"
+        }
+    },
+    "required": [
+        "elements",
+        "coordinates"
+    ]
+}

mat3ra_esse-2025.4.22.post0/schema/properties_directory/structural/lattice/units/angle_enum.json

@@ -0,0 +1,10 @@
+{
+    "$id": "properties-directory/structural/lattice/units/angle-enum",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "lattice units angle enum",
+    "allOf": [
+        {
+            "$ref": "../../../../definitions/units.json#/angle"
+        }
+    ]
+}