@mat3ra/esse 2025.5.17-2 → 2025.6.14-0

package/dist/js/example/materials_category/defects/zero_dimensional/complex/pair/configuration.json

@@ -1,406 +0,0 @@
-{
-    "point_defect_configuration_1": {
-        "type": "vacancy",
-        "coordinate": [
-            0.25,
-            0.25,
-            0.25
-        ],
-        "use_cartesian_coordinates": false,
-        "placement_method": "coordinate",
-        "host": {
-            "_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"
-        }
-    },
-    "point_defect_configuration_2": {
-        "type": "vacancy",
-        "coordinate": [
-            0.25,
-            0.25,
-            0.25
-        ],
-        "use_cartesian_coordinates": false,
-        "placement_method": "coordinate",
-        "host": {
-            "_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"
-        }
-    },
-    "host": {
-        "_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"
-    }
-}

package/dist/js/example/materials_category/defects/zero_dimensional/point/configuration.json

@@ -1,138 +0,0 @@
-{
-    "type": "vacancy",
-    "coordinate": [
-        0.25,
-        0.25,
-        0.25
-    ],
-    "use_cartesian_coordinates": false,
-    "placement_method": "coordinate",
-    "host": {
-        "_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"
-    }
-}

package/dist/js/example/materials_category/defects/zero_dimensional/point/interstitial/configuration.json

@@ -1,139 +0,0 @@
-{
-    "type": "interstitial",
-    "isExternal": true,
-    "chemical_element": "P",
-    "coordinate": [
-        0,
-        0,
-        0
-    ],
-    "use_cartesian_coordinates": false,
-    "host": {
-        "_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"
-    }
-}