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LCPQ
/
quack
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https://github.com/pfloos/quack
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78cb8f30b4
quack
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mol
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BeH2
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BeH2.3.75.xyz
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Be 0.0 0.0 0.0
H 3.75 0.815 0.0
H 3.75 -0.815 0.0
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