Ajout de composants et de leurs markers
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@ -1,5 +1,54 @@
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{
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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": "Eau",
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"formula": "H2O",
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"atoms": [
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{
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"element": "H2",
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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": "Dioxygène",
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"formula": "O2",
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