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LCPQ
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quack
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https://github.com/pfloos/quack
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da7bdcd809
quack
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mol
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Ne.xyz
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xyz files
2020-10-12 14:30:00 +02:00
1
additional geometries
2024-01-18 22:31:16 +01:00
Ne 0.0000 0.0000 0.0000
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