22 lines
379 B
Plaintext
22 lines
379 B
Plaintext
Created by AJB
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4 atoms
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2 atom types
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-0.529177 0.529177 xlo xhi
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-0.529177 0.529177 ylo yhi
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-0.529177 0.529177 zlo zhi
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Masses
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1 1.000794 # H nuclei mass
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2 1.000000 # electron mass
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Atoms
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1 1 1.0 0 0.000000 0.000000 0.000000 0.000000
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2 2 0.0 1 0.529177 0.000000 0.000000 0.000000
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3 1 1.0 0 0.000000 0.264589 0.000000 0.000000
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4 2 0.0 1 0.529177 0.264589 0.000000 0.000000
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