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quack/input/molecule.xyz

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occnum
2020-09-11 11:55:04 +02:00
1
examples
2020-01-17 17:35:40 +01:00
occnum
2020-09-11 11:55:04 +02:00
Li 0.0000000000 0.0000000000 0.0000000000
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