33 lines
643 B
Plaintext
33 lines
643 B
Plaintext
Created by AJB
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15 atoms
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3 atom types
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-500.0 500.0 xlo xhi
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-500.0 500.0 ylo yhi
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-500.0 500.0 zlo zhi
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Masses
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1 12.01070 # C nuclei mass
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2 1.000794 # H nuclei mass
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3 1.000000 # electron mass
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Atoms
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#tag|type|x|y|z|q|spin|r
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1 1 0.0 0.0 0.0 6.0 0 0.0
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2 2 1.0 1.0 1.0 1.0 0 0.0
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3 2 -1.0 -1.0 1.0 1.0 0 0.0
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4 2 1.0 -1.0 -1.0 1.0 0 0.0
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5 2 -1.0 1.0 -1.0 1.0 0 0.0
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6 3 0.0 0.0 0.0 0.0 -1 0.5
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7 3 1.0 1.0 1.0 0.0 -1 1.0
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8 3 -1.0 -1.0 1.0 0.0 -1 1.0
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9 3 1.0 -1.0 -1.0 0.0 -1 1.0
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10 3 -1.0 1.0 -1.0 0.0 -1 1.0
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11 3 0.0 0.0 0.0 0.0 1 0.5
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12 3 1.0 1.0 1.0 0.0 1 1.0
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13 3 -1.0 -1.0 1.0 0.0 1 1.0
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14 3 1.0 -1.0 -1.0 0.0 1 1.0
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15 3 -1.0 1.0 -1.0 0.0 1 1.0
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