@mat3ra/esse 2025.5.17-2 → 2025.6.14-0

package/dist/js/example/materials_category/defects/two_dimensional/grain_boundary_plane/configuration.json

@@ -1,475 +0,0 @@
-{
-    "stack_slab_configurations": [
-        {
-            "stack_component": "phase1",
-            "distance_to_next_slab": 3,
-            "slab_configuration": {
-                "bulk": {
-                    "_id": "LCthJ6E2QabYCZqf3",
-                    "basis": {
-                        "coordinates": [
-                            {
-                                "id": 1,
-                                "value": [
-                                    0,
-                                    0,
-                                    0
-                                ]
-                            },
-                            {
-                                "id": 2,
-                                "value": [
-                                    0.25,
-                                    0.25,
-                                    0.25
-                                ]
-                            }
-                        ],
-                        "elements": [
-                            {
-                                "id": 1,
-                                "value": "Si"
-                            },
-                            {
-                                "id": 2,
-                                "value": "Si"
-                            }
-                        ],
-                        "name": "basis",
-                        "units": "crystal"
-                    },
-                    "createdAt": "2016-04-03T05:25:37.430Z",
-                    "creator": {
-                        "_id": "HtxACY2wX4b2hS8Rv",
-                        "cls": "User",
-                        "slug": "exadmin"
-                    },
-                    "derivedProperties": [
-                        {
-                            "name": "volume",
-                            "units": "angstrom^3",
-                            "value": 131.1
-                        },
-                        {
-                            "name": "density",
-                            "units": "g/cm^3",
-                            "value": 2.33
-                        },
-                        {
-                            "name": "symmetry",
-                            "spaceGroupSymbol": "Fd-3m",
-                            "tolerance": {
-                                "units": "angstrom",
-                                "value": 0.3
-                            }
-                        },
-                        {
-                            "degree": 10,
-                            "name": "p-norm",
-                            "value": 0.71
-                        },
-                        {
-                            "element": "Si",
-                            "name": "elemental_ratio",
-                            "value": 0.71
-                        },
-                        {
-                            "name": "inchi",
-                            "value": ""
-                        },
-                        {
-                            "name": "inchi_key",
-                            "value": ""
-                        }
-                    ],
-                    "exabyteId": "RKiswuxHKkF3uvLyA",
-                    "formula": "Si",
-                    "hash": "4ac3fa057e3530628eb1295c77110eaa",
-                    "isDefault": false,
-                    "isNonPeriodic": false,
-                    "lattice": {
-                        "name": "lattice",
-                        "a": 5.14,
-                        "alpha": 90,
-                        "b": 5.14,
-                        "beta": 90,
-                        "c": 5.14,
-                        "gamma": 90,
-                        "type": "CUB",
-                        "units": {
-                            "angle": "degree",
-                            "length": "angstrom"
-                        },
-                        "vectors": {
-                            "a": [
-                                5,
-                                0.000121312,
-                                0.000131415
-                            ],
-                            "alat": 1,
-                            "b": [
-                                0.000121312,
-                                5,
-                                0.000121314
-                            ],
-                            "c": [
-                                0.000121313,
-                                0.000121312,
-                                5
-                            ],
-                            "units": "angstrom"
-                        }
-                    },
-                    "name": "Silicon FCC",
-                    "owner": {
-                        "_id": "HtxACY2wX4b2hS8Rv",
-                        "cls": "Account",
-                        "slug": "exabyte"
-                    },
-                    "scaledHash": "5bd4eb168e3530628eb1295d88221cbb",
-                    "schemaVersion": "0.2.0",
-                    "slug": "silicon-fcc",
-                    "unitCellFormula": "Si2",
-                    "updatedAt": "2016-04-04T17:58:42.867Z"
-                },
-                "miller_indices": [
-                    0,
-                    0,
-                    1
-                ],
-                "number_of_layers": 3,
-                "vacuum": 15,
-                "xy_supercell_matrix": [
-                    [
-                        1,
-                        0
-                    ],
-                    [
-                        0,
-                        1
-                    ]
-                ],
-                "use_conventional_cell": true,
-                "use_orthogonal_z": true,
-                "make_primitive": true
-            },
-            "termination": {
-                "chemical_elements": "Si",
-                "space_group_symmetry_label": "P4/mmm_2"
-            }
-        },
-        {
-            "stack_component": "phase2",
-            "distance_to_next_slab": 3,
-            "slab_configuration": {
-                "bulk": {
-                    "_id": "LCthJ6E2QabYCZqf3",
-                    "basis": {
-                        "coordinates": [
-                            {
-                                "id": 1,
-                                "value": [
-                                    0,
-                                    0,
-                                    0
-                                ]
-                            },
-                            {
-                                "id": 2,
-                                "value": [
-                                    0.25,
-                                    0.25,
-                                    0.25
-                                ]
-                            }
-                        ],
-                        "elements": [
-                            {
-                                "id": 1,
-                                "value": "Si"
-                            },
-                            {
-                                "id": 2,
-                                "value": "Si"
-                            }
-                        ],
-                        "name": "basis",
-                        "units": "crystal"
-                    },
-                    "createdAt": "2016-04-03T05:25:37.430Z",
-                    "creator": {
-                        "_id": "HtxACY2wX4b2hS8Rv",
-                        "cls": "User",
-                        "slug": "exadmin"
-                    },
-                    "derivedProperties": [
-                        {
-                            "name": "volume",
-                            "units": "angstrom^3",
-                            "value": 131.1
-                        },
-                        {
-                            "name": "density",
-                            "units": "g/cm^3",
-                            "value": 2.33
-                        },
-                        {
-                            "name": "symmetry",
-                            "spaceGroupSymbol": "Fd-3m",
-                            "tolerance": {
-                                "units": "angstrom",
-                                "value": 0.3
-                            }
-                        },
-                        {
-                            "degree": 10,
-                            "name": "p-norm",
-                            "value": 0.71
-                        },
-                        {
-                            "element": "Si",
-                            "name": "elemental_ratio",
-                            "value": 0.71
-                        },
-                        {
-                            "name": "inchi",
-                            "value": ""
-                        },
-                        {
-                            "name": "inchi_key",
-                            "value": ""
-                        }
-                    ],
-                    "exabyteId": "RKiswuxHKkF3uvLyA",
-                    "formula": "Si",
-                    "hash": "4ac3fa057e3530628eb1295c77110eaa",
-                    "isDefault": false,
-                    "isNonPeriodic": false,
-                    "lattice": {
-                        "name": "lattice",
-                        "a": 5.14,
-                        "alpha": 90,
-                        "b": 5.14,
-                        "beta": 90,
-                        "c": 5.14,
-                        "gamma": 90,
-                        "type": "CUB",
-                        "units": {
-                            "angle": "degree",
-                            "length": "angstrom"
-                        },
-                        "vectors": {
-                            "a": [
-                                5,
-                                0.000121312,
-                                0.000131415
-                            ],
-                            "alat": 1,
-                            "b": [
-                                0.000121312,
-                                5,
-                                0.000121314
-                            ],
-                            "c": [
-                                0.000121313,
-                                0.000121312,
-                                5
-                            ],
-                            "units": "angstrom"
-                        }
-                    },
-                    "name": "Silicon FCC",
-                    "owner": {
-                        "_id": "HtxACY2wX4b2hS8Rv",
-                        "cls": "Account",
-                        "slug": "exabyte"
-                    },
-                    "scaledHash": "5bd4eb168e3530628eb1295d88221cbb",
-                    "schemaVersion": "0.2.0",
-                    "slug": "silicon-fcc",
-                    "unitCellFormula": "Si2",
-                    "updatedAt": "2016-04-04T17:58:42.867Z"
-                },
-                "miller_indices": [
-                    0,
-                    0,
-                    1
-                ],
-                "number_of_layers": 3,
-                "vacuum": 15,
-                "xy_supercell_matrix": [
-                    [
-                        1,
-                        0
-                    ],
-                    [
-                        0,
-                        1
-                    ]
-                ],
-                "use_conventional_cell": true,
-                "use_orthogonal_z": true,
-                "make_primitive": true
-            },
-            "termination": {
-                "chemical_elements": "Si",
-                "space_group_symmetry_label": "P4/mmm_2"
-            }
-        }
-    ],
-    "stacking_direction": "x",
-    "slab_configuration": {
-        "bulk": {
-            "_id": "LCthJ6E2QabYCZqf3",
-            "basis": {
-                "coordinates": [
-                    {
-                        "id": 1,
-                        "value": [
-                            0,
-                            0,
-                            0
-                        ]
-                    },
-                    {
-                        "id": 2,
-                        "value": [
-                            0.25,
-                            0.25,
-                            0.25
-                        ]
-                    }
-                ],
-                "elements": [
-                    {
-                        "id": 1,
-                        "value": "Si"
-                    },
-                    {
-                        "id": 2,
-                        "value": "Si"
-                    }
-                ],
-                "name": "basis",
-                "units": "crystal"
-            },
-            "createdAt": "2016-04-03T05:25:37.430Z",
-            "creator": {
-                "_id": "HtxACY2wX4b2hS8Rv",
-                "cls": "User",
-                "slug": "exadmin"
-            },
-            "derivedProperties": [
-                {
-                    "name": "volume",
-                    "units": "angstrom^3",
-                    "value": 131.1
-                },
-                {
-                    "name": "density",
-                    "units": "g/cm^3",
-                    "value": 2.33
-                },
-                {
-                    "name": "symmetry",
-                    "spaceGroupSymbol": "Fd-3m",
-                    "tolerance": {
-                        "units": "angstrom",
-                        "value": 0.3
-                    }
-                },
-                {
-                    "degree": 10,
-                    "name": "p-norm",
-                    "value": 0.71
-                },
-                {
-                    "element": "Si",
-                    "name": "elemental_ratio",
-                    "value": 0.71
-                },
-                {
-                    "name": "inchi",
-                    "value": ""
-                },
-                {
-                    "name": "inchi_key",
-                    "value": ""
-                }
-            ],
-            "exabyteId": "RKiswuxHKkF3uvLyA",
-            "formula": "Si",
-            "hash": "4ac3fa057e3530628eb1295c77110eaa",
-            "isDefault": false,
-            "isNonPeriodic": false,
-            "lattice": {
-                "name": "lattice",
-                "a": 5.14,
-                "alpha": 90,
-                "b": 5.14,
-                "beta": 90,
-                "c": 5.14,
-                "gamma": 90,
-                "type": "CUB",
-                "units": {
-                    "angle": "degree",
-                    "length": "angstrom"
-                },
-                "vectors": {
-                    "a": [
-                        5,
-                        0.000121312,
-                        0.000131415
-                    ],
-                    "alat": 1,
-                    "b": [
-                        0.000121312,
-                        5,
-                        0.000121314
-                    ],
-                    "c": [
-                        0.000121313,
-                        0.000121312,
-                        5
-                    ],
-                    "units": "angstrom"
-                }
-            },
-            "name": "Silicon FCC",
-            "owner": {
-                "_id": "HtxACY2wX4b2hS8Rv",
-                "cls": "Account",
-                "slug": "exabyte"
-            },
-            "scaledHash": "5bd4eb168e3530628eb1295d88221cbb",
-            "schemaVersion": "0.2.0",
-            "slug": "silicon-fcc",
-            "unitCellFormula": "Si2",
-            "updatedAt": "2016-04-04T17:58:42.867Z"
-        },
-        "miller_indices": [
-            0,
-            0,
-            1
-        ],
-        "number_of_layers": 3,
-        "vacuum": 15,
-        "xy_supercell_matrix": [
-            [
-                1,
-                0
-            ],
-            [
-                0,
-                1
-            ]
-        ],
-        "use_conventional_cell": true,
-        "use_orthogonal_z": true,
-        "make_primitive": true
-    },
-    "termination": {
-        "chemical_elements": "Si",
-        "space_group_symmetry_label": "P4/mmm_2"
-    }
-}