First iteration of Schemas for refernece

dist/js/schema/material/builders/base/selector_parameters.json

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+{
+    "$id": "material/builders/base/selector-parameters",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Base Selector Parameters Schema",
+    "description": "Base parameters for all builder selectors",
+    "type": "object",
+    "properties": {
+        "default_index": {
+            "description": "Default index for the selector",
+            "type": "integer",
+            "minimum": 0,
+            "default": 0
+        }
+    }
+}

dist/js/schema/material/builders/defects/point_defect_builder_parameters.json

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+{
+    "$id": "material/builders/defects/point-defect-builder-parameters",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Point Defect Builder Parameters Schema",
+    "description": "Parameters for the point defect builder",
+    "type": "object",
+    "properties": {
+        "center_defect": {
+            "description": "Whether to center the defect",
+            "type": "boolean",
+            "default": false
+        }
+    }
+}

dist/js/schema/material/builders/defects/slab_defect_builder_parameters.json

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+{
+    "$id": "material/builders/defects/slab-defect-builder-parameters",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Slab Defect Builder Parameters Schema",
+    "description": "Parameters for the slab defect builder",
+    "type": "object",
+    "properties": {
+        "auto_add_vacuum": {
+            "description": "Whether to automatically add vacuum",
+            "type": "boolean",
+            "default": true
+        },
+        "vacuum_thickness": {
+            "$schema": "http://json-schema.org/draft-07/schema#",
+            "title": "Vacuum Schema",
+            "description": "Vacuum thickness in Angstroms",
+            "type": "number",
+            "minimum": 0,
+            "default": 5
+        }
+    }
+}

dist/js/schema/material/builders/defects/voronoi_interstitial_point_defect_builder_parameters.json

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+{
+    "$id": "material/builders/defects/voronoi-interstitial-point-defect-builder-parameters",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Voronoi Interstitial Point Defect Builder Parameters Schema",
+    "description": "Parameters for the Voronoi interstitial point defect builder",
+    "#comment": "According to https://github.com/materialsproject/pymatgen-analysis-defects/blob/e2cb285de8be07b38912ae1782285ef1f463a9a9/pymatgen/analysis/defects/generators.py#L343",
+    "type": "object",
+    "properties": {
+        "clustering_tol": {
+            "description": "Clustering tolerance for merging interstitial sites",
+            "type": "number",
+            "default": 0.5
+        },
+        "min_dist": {
+            "description": "Minimum distance between interstitial and nearest atom",
+            "type": "number",
+            "default": 0.9
+        },
+        "ltol": {
+            "description": "Tolerance for lattice matching",
+            "type": "number",
+            "default": 0.2
+        },
+        "stol": {
+            "description": "Tolerance for structure matching",
+            "type": "number",
+            "default": 0.3
+        },
+        "angle_tol": {
+            "description": "Angle tolerance for structure matching",
+            "type": "number",
+            "default": 5
+        }
+    }
+}

dist/js/schema/material/builders/multi_material/interfaces/simple/builder_parameters.json

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+{
+    "$id": "material/builders/multi-material/interfaces/simple/builder-parameters",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Simple Interface Builder Parameters Schema",
+    "description": "Parameters for the simple interface builder",
+    "type": "object",
+    "properties": {
+        "scale_film": {
+            "description": "Whether to scale the film to match the substrate",
+            "type": "boolean",
+            "default": true
+        },
+        "create_slabs": {
+            "description": "Whether to create slabs from the configurations or use the bulk",
+            "type": "boolean",
+            "default": true
+        }
+    }
+}

dist/js/schema/material/builders/multi_material/interfaces/slab_grain_boundary_builder_parameters.json

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+{
+    "$id": "material/builders/multi-material/interfaces/slab-grain-boundary-builder-parameters",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Slab Grain Boundary Builder Parameters Schema",
+    "description": "Parameters for the slab grain boundary builder",
+    "type": "object",
+    "properties": {
+        "strain_matching_parameters": {
+            "$schema": "http://json-schema.org/draft-07/schema#",
+            "title": "ZSL Strain Matching Parameters Schema",
+            "description": "Parameters for ZSL strain matching",
+            "$comment": "Described in https://pymatgen.org/pymatgen.analysis.interfaces.html#pymatgen.analysis.interfaces.zsl.ZSLGenerator",
+            "type": "object",
+            "properties": {
+                "max_area": {
+                    "description": "Maximum area for strain matching",
+                    "type": "number",
+                    "default": 50
+                },
+                "max_area_ratio_tol": {
+                    "description": "Maximum area ratio tolerance",
+                    "type": "number",
+                    "default": 0.09
+                },
+                "max_length_tol": {
+                    "description": "Maximum length tolerance",
+                    "type": "number",
+                    "default": 0.03
+                },
+                "max_angle_tol": {
+                    "description": "Maximum angle tolerance",
+                    "type": "number",
+                    "default": 0.01
+                }
+            }
+        },
+        "default_index": {
+            "description": "Default index for the selector",
+            "type": "integer",
+            "minimum": 0,
+            "default": 0
+        }
+    }
+}

dist/js/schema/material/builders/multi_material/interfaces/strain_matching/builder_parameters.json

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+{
+    "$id": "material/builders/multi-material/interfaces/strain-matching/builder-parameters",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Strain Matching Interface Builder Parameters Schema",
+    "description": "Parameters for the strain matching interface builder",
+    "type": "object",
+    "properties": {
+        "strain_matching_parameters": {
+            "description": "Parameters for strain matching",
+            "type": [
+                "object",
+                "null"
+            ],
+            "default": null
+        }
+    }
+}

dist/js/schema/material/builders/multi_material/interfaces/strain_matching/zsl_strain_matching_interface_builder_parameters.json

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+{
+    "$id": "material/builders/multi-material/interfaces/strain-matching/zsl-strain-matching-interface-builder-parameters",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "ZSL Strain Matching Interface Builder Parameters Schema",
+    "description": "Parameters for the ZSL strain matching interface builder",
+    "type": "object",
+    "properties": {
+        "strain_matching_parameters": {
+            "$schema": "http://json-schema.org/draft-07/schema#",
+            "title": "ZSL Strain Matching Parameters Schema",
+            "description": "Parameters for ZSL strain matching",
+            "$comment": "Described in https://pymatgen.org/pymatgen.analysis.interfaces.html#pymatgen.analysis.interfaces.zsl.ZSLGenerator",
+            "type": "object",
+            "properties": {
+                "max_area": {
+                    "description": "Maximum area for strain matching",
+                    "type": "number",
+                    "default": 50
+                },
+                "max_area_ratio_tol": {
+                    "description": "Maximum area ratio tolerance",
+                    "type": "number",
+                    "default": 0.09
+                },
+                "max_length_tol": {
+                    "description": "Maximum length tolerance",
+                    "type": "number",
+                    "default": 0.03
+                },
+                "max_angle_tol": {
+                    "description": "Maximum angle tolerance",
+                    "type": "number",
+                    "default": 0.01
+                }
+            }
+        }
+    }
+}

dist/js/schema/material/builders/multi_material/interfaces/strain_matching/zsl_strain_matching_parameters.json

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+{
+    "$id": "material/builders/multi-material/interfaces/strain-matching/zsl-strain-matching-parameters",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "ZSL Strain Matching Parameters Schema",
+    "description": "Parameters for ZSL strain matching",
+    "$comment": "Described in https://pymatgen.org/pymatgen.analysis.interfaces.html#pymatgen.analysis.interfaces.zsl.ZSLGenerator",
+    "type": "object",
+    "properties": {
+        "max_area": {
+            "description": "Maximum area for strain matching",
+            "type": "number",
+            "default": 50
+        },
+        "max_area_ratio_tol": {
+            "description": "Maximum area ratio tolerance",
+            "type": "number",
+            "default": 0.09
+        },
+        "max_length_tol": {
+            "description": "Maximum length tolerance",
+            "type": "number",
+            "default": 0.03
+        },
+        "max_angle_tol": {
+            "description": "Maximum angle tolerance",
+            "type": "number",
+            "default": 0.01
+        }
+    }
+}

dist/js/schema/material/builders/multi_material/interfaces/surface_grain_boundary_builder_parameters.json

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+{
+    "$id": "material/builders/multi-material/interfaces/surface-grain-boundary-builder-parameters",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Surface Grain Boundary Builder Parameters Schema",
+    "description": "Parameters for creating a grain boundary between two surface phases",
+    "type": "object",
+    "properties": {
+        "edge_inclusion_tolerance": {
+            "description": "The tolerance to include atoms on the edge of each phase, in angstroms",
+            "type": "number",
+            "default": 1
+        },
+        "distance_tolerance": {
+            "description": "The distance tolerance to remove atoms that are too close, in angstroms",
+            "type": "number",
+            "default": 1
+        },
+        "max_supercell_matrix_int": {
+            "description": "The maximum integer for the transformation matrices. If not provided, it will be determined based on the target angle and the lattice vectors automatically.",
+            "type": [
+                "integer",
+                "null"
+            ],
+            "default": null
+        },
+        "limit_max_int": {
+            "description": "The limit for the maximum integer for the transformation matrices when searching",
+            "type": [
+                "integer",
+                "null"
+            ],
+            "default": 42
+        },
+        "angle_tolerance": {
+            "description": "The tolerance for the angle between the commensurate lattices and the target angle, in degrees.",
+            "type": "number",
+            "default": 0.1
+        },
+        "return_first_match": {
+            "description": "Whether to return the first match or all matches.",
+            "type": "boolean",
+            "default": false
+        }
+    }
+}

dist/js/schema/material/builders/multi_material/interfaces/twisted/commensurate_lattice_twisted_interface_builder_parameters.json

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+{
+    "$id": "material/builders/multi-material/interfaces/twisted/commensurate-lattice-twisted-interface-builder-parameters",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Commensurate Lattice Twisted Interface Builder Parameters Schema",
+    "description": "Parameters for the commensurate lattice interface builder",
+    "type": "object",
+    "properties": {
+        "max_supercell_matrix_int": {
+            "description": "The maximum integer for the transformation matrices. If not provided, it will be determined based on the target angle and the lattice vectors automatically.",
+            "type": [
+                "integer",
+                "null"
+            ],
+            "default": null
+        },
+        "limit_max_int": {
+            "description": "The limit for the maximum integer for the transformation matrices when searching",
+            "type": [
+                "integer",
+                "null"
+            ],
+            "default": 42
+        },
+        "angle_tolerance": {
+            "description": "The tolerance for the angle between the commensurate lattices and the target angle, in degrees.",
+            "type": "number",
+            "default": 0.1
+        },
+        "return_first_match": {
+            "description": "Whether to return the first match or all matches.",
+            "type": "boolean",
+            "default": false
+        }
+    }
+}

dist/js/schema/material/builders/passivation/coordination_based/builder_parameters.json

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+{
+    "$id": "material/builders/passivation/coordination-based/builder-parameters",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Coordination Based Passivation Builder Parameters Schema",
+    "description": "Parameters for the CoordinationPassivationBuilder",
+    "type": "object",
+    "properties": {
+        "coordination_threshold": {
+            "description": "The coordination number threshold for an atom to be considered undercoordinated",
+            "type": "integer",
+            "default": 3
+        },
+        "bonds_to_passivate": {
+            "description": "The maximum number of bonds to passivate for each undercoordinated atom",
+            "type": "integer",
+            "default": 1
+        },
+        "symmetry_tolerance": {
+            "description": "The tolerance for symmetry comparison of vectors for bonds",
+            "type": "number",
+            "default": 0.1
+        },
+        "shadowing_radius": {
+            "description": "Radius around each surface atom to exclude underlying atoms from passivation",
+            "type": "number",
+            "default": 2.5
+        },
+        "depth": {
+            "description": "Depth from the topmost (or bottommost) atom into the material to consider for passivation, accounting for features like islands, adatoms, and terraces",
+            "type": "number",
+            "default": 5
+        }
+    }
+}

dist/js/schema/material/builders/passivation/surface/builder_parameters.json

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+{
+    "$id": "material/builders/passivation/surface/builder_parameters",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Surface Passivation Builder Parameters Schema",
+    "description": "Parameters for the SurfacePassivationBuilder, defining how atoms near the surface are detected and passivated",
+    "type": "object",
+    "properties": {
+        "shadowing_radius": {
+            "description": "Radius around each surface atom to exclude underlying atoms from passivation",
+            "type": "number",
+            "default": 2.5
+        },
+        "depth": {
+            "description": "Depth from the topmost (or bottommost) atom into the material to consider for passivation, accounting for features like islands, adatoms, and terraces",
+            "type": "number",
+            "default": 5
+        }
+    }
+}