esse/example/material.json at dev · Exabyte-io/esse · GitHub

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
{
    "_id": "LCthJ6E2QabYCZqf3",
    "basis": {
        "coordinates": [
            {
                "id": 1,
                "value": [
                    0.0,
                    0.0,
                    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": {
        "...": "include(system/creator.json)"
    },
    "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": {
        "...": "include(properties_directory/structural/lattice.json)"
    },
    "name": "Silicon FCC",
    "owner": {
        "...": "include(system/owner.json)"
    },
    "scaledHash": "5bd4eb168e3530628eb1295d88221cbb",
    "schemaVersion": "0.2.0",
    "slug": "silicon-fcc",
    "unitCellFormula": "Si2",
    "updatedAt": "2016-04-04T17:58:42.867Z"
}