143 lines
4.7 KiB
JSON
143 lines
4.7 KiB
JSON
{
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"molecules":[
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{
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"name": "Méthanal",
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"formula": "CH2O",
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"atoms": [
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{
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"element": "C",
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"geometry": [0.0, 0.0, 0.0]
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},
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{
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"element": "H2",
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"geometry": [0.0, 1.0, 2.0]
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},
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{
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"element": "O",
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"geometry": [1.2, 0.0, 0.0]
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}
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],
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"bonds": [
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{"atoms": [0, 1], "order": 1},
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{"atoms": [1, 2], "order": 1}
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],
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"properties": {
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"molecularMass": 32.0,
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"meltingPoint": -218.8,
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"boilingPoint": -183.0
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}
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},
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{
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"name": "Dioxygène",
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"formula": "O2",
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"atoms": [
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{
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"element": "O",
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"geometry": [0.0, 0.0, 0.0]
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},
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{
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"element": "O",
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"geometry": [1.2, 0.0, 0.0]
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}
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],
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"bonds": [
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{"atoms": [0, 1], "order": 2}
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],
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"properties": {
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"molecularMass": 32.0,
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"meltingPoint": -218.8,
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"boilingPoint": -183.0
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}
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},
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{
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"name": "Ozone",
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"formula": "O3",
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"atoms": [
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{"element": "O", "geometry": [0.0, 0.0, 0.0]},
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{"element": "O", "geometry": [0.7, 0.0, 0.0]},
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{"element": "O", "geometry": [1.4, 0.0, 0.0]}
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],
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"bonds": [
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{"atoms": [0, 1], "order": 1},
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{"atoms": [1, 2], "order": 1}
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],
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"properties": {
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"molecularMass": 47.9982,
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"meltingPoint": -192.5,
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"boilingPoint": -110.0
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}
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},
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{
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"name": "Dioxyde de carbone",
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"formula": "CO2",
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"atoms": [
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{"element": "C", "geometry": [0.0, 0.0, 0.0]},
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{"element": "O", "geometry": [1.2, 0.0, 0.0]},
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{"element": "O", "geometry": [-1.2, 0.0, 0.0]}
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],
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"bonds": [
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{"atoms": [0, 1], "order": 2},
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{"atoms": [0, 2], "order": 2}
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],
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"properties": {
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"molecularMass": 44.0095,
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"meltingPoint": -56.6,
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"boilingPoint": -78.5
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}
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},
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{
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"name": "Butane",
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"formula": "C4H10",
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"atoms": [
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{"element": "C", "geometry": [0.0, 0.0, 0.0]},
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{"element": "C", "geometry": [1.5, 0.0, 0.0]},
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{"element": "C", "geometry": [3.0, 0.0, 0.0]},
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{"element": "C", "geometry": [4.5, 0.0, 0.0]},
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{"element": "H", "geometry": [0.0, 1.5, 0.0]},
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{"element": "H", "geometry": [0.0, -1.5, 0.0]},
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{"element": "H", "geometry": [1.5, 1.5, 0.0]},
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{"element": "H", "geometry": [1.5, -1.5, 0.0]},
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{"element": "H", "geometry": [3.0, 1.5, 0.0]},
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{"element": "H", "geometry": [3.0, -1.5, 0.0]},
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{"element": "H", "geometry": [4.5, 1.5, 0.0]},
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{"element": "H", "geometry": [4.5, -1.5, 0.0]}
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],
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"bonds": [
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{"atoms": [0, 1], "order": 1},
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{"atoms": [1, 2], "order": 1},
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{"atoms": [2, 3], "order": 1},
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{"atoms": [0, 4], "order": 1},
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{"atoms": [0, 5], "order": 1},
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{"atoms": [1, 6], "order": 1},
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{"atoms": [1, 7], "order": 1},
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{"atoms": [2, 8], "order": 1},
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{"atoms": [2, 9], "order": 1},
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{"atoms": [3, 10], "order": 1},
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{"atoms": [3, 11], "order": 1}
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],
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"properties": {
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"molecularMass": 58.1222,
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"meltingPoint": -138.3,
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"boilingPoint": -0.5
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}
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},{
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"name": "Eau",
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"formula": "H2O",
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"atoms": [
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{"element": "O", "geometry": [0.0, 0.0, 0.0]},
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{"element": "H", "geometry": [1.2, 0.0, 0.0]},
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{"element": "H", "geometry": [-1.2, 0.0, 0.0]}
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],
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"bonds": [
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{"atoms": [0, 1], "order": 1},
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{"atoms": [0, 2], "order": 1}
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],
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"properties": {
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"molecularMass": 18.01528,
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"meltingPoint": 0.0,
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"boilingPoint": 100.0
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}
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}
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]
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}
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