* om * maddie told me they should be in "" * adjusted some things * more mol updates * more adjustments * surely I'm done * Update pakku-lock.json * Create moldraw.yaml --------- Co-authored-by: Pyritie <pyritie@gmail.com>
159 lines
No EOL
1.8 KiB
JSON
159 lines
No EOL
1.8 KiB
JSON
{
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"contents": [
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{
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"type": "atom",
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"element": "Sb",
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{
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{
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{
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{
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"type": "atom",
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{
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{
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4,
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6
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],
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"type": "parens"
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{
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"type": "atom",
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{
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{
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{
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9
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{
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{
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{
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"lines": [
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"solid"
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},
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{
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"lines": [
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"solid"
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{
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{
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"lines": [
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"outward"
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]
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{
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"type": "bond",
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"lines": [
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"solid"
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]
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},
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{
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"lines": [
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"solid"
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]
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}
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]
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} |