99 lines
3.4 KiB
JSON
99 lines
3.4 KiB
JSON
{
|
|
"molecules":[
|
|
{
|
|
"name": "Dioxygène",
|
|
"formula": "O2",
|
|
"atoms": [
|
|
{
|
|
"element": "O",
|
|
"geometry": [0.0, 0.0, 0.0]
|
|
},
|
|
{
|
|
"element": "O",
|
|
"geometry": [1.2, 0.0, 0.0]
|
|
}
|
|
],
|
|
"bonds": [
|
|
{"atoms": [0, 1], "order": 2}
|
|
],
|
|
"properties": {
|
|
"molecularMass": 32.0,
|
|
"meltingPoint": -218.8,
|
|
"boilingPoint": -183.0
|
|
}
|
|
},
|
|
{
|
|
"name": "Ozone",
|
|
"formula": "O3",
|
|
"atoms": [
|
|
{"element": "O", "geometry": [0.0, 0.0, 0.0]},
|
|
{"element": "O", "geometry": [0.7, 0.0, 0.0]},
|
|
{"element": "O", "geometry": [1.4, 0.0, 0.0]}
|
|
],
|
|
"bonds": [
|
|
{"atoms": [0, 1], "order": 1},
|
|
{"atoms": [1, 2], "order": 1}
|
|
],
|
|
"properties": {
|
|
"molecularMass": 47.9982,
|
|
"meltingPoint": -192.5,
|
|
"boilingPoint": -110.0
|
|
}
|
|
},
|
|
{
|
|
"name": "Dioxyde de carbone",
|
|
"formula": "CO2",
|
|
"atoms": [
|
|
{"element": "C", "geometry": [0.0, 0.0, 0.0]},
|
|
{"element": "O", "geometry": [1.2, 0.0, 0.0]},
|
|
{"element": "O", "geometry": [-1.2, 0.0, 0.0]}
|
|
],
|
|
"bonds": [
|
|
{"atoms": [0, 1], "order": 2},
|
|
{"atoms": [0, 2], "order": 2}
|
|
],
|
|
"properties": {
|
|
"molecularMass": 44.0095,
|
|
"meltingPoint": -56.6,
|
|
"boilingPoint": -78.5
|
|
}
|
|
},
|
|
{
|
|
"name": "Butane",
|
|
"formula": "C4H10",
|
|
"atoms": [
|
|
{"element": "C", "geometry": [0.0, 0.0, 0.0]},
|
|
{"element": "C", "geometry": [1.5, 0.0, 0.0]},
|
|
{"element": "C", "geometry": [3.0, 0.0, 0.0]},
|
|
{"element": "C", "geometry": [4.5, 0.0, 0.0]},
|
|
{"element": "H", "geometry": [0.0, 1.5, 0.0]},
|
|
{"element": "H", "geometry": [0.0, -1.5, 0.0]},
|
|
{"element": "H", "geometry": [1.5, 1.5, 0.0]},
|
|
{"element": "H", "geometry": [1.5, -1.5, 0.0]},
|
|
{"element": "H", "geometry": [3.0, 1.5, 0.0]},
|
|
{"element": "H", "geometry": [3.0, -1.5, 0.0]},
|
|
{"element": "H", "geometry": [4.5, 1.5, 0.0]},
|
|
{"element": "H", "geometry": [4.5, -1.5, 0.0]}
|
|
],
|
|
"bonds": [
|
|
{"atoms": [0, 1], "order": 1},
|
|
{"atoms": [1, 2], "order": 1},
|
|
{"atoms": [2, 3], "order": 1},
|
|
{"atoms": [0, 4], "order": 1},
|
|
{"atoms": [0, 5], "order": 1},
|
|
{"atoms": [1, 6], "order": 1},
|
|
{"atoms": [1, 7], "order": 1},
|
|
{"atoms": [2, 8], "order": 1},
|
|
{"atoms": [2, 9], "order": 1},
|
|
{"atoms": [3, 10], "order": 1},
|
|
{"atoms": [3, 11], "order": 1}
|
|
],
|
|
"properties": {
|
|
"molecularMass": 58.1222,
|
|
"meltingPoint": -138.3,
|
|
"boilingPoint": -0.5
|
|
}
|
|
}
|
|
]
|
|
}
|