forked from lijiext/lammps
32 lines
1.0 KiB
Plaintext
32 lines
1.0 KiB
Plaintext
Created by AJB
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14 atoms
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3 atom types
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-5000.0 5000.0 xlo xhi
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-5000.0 5000.0 ylo yhi
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-5000.0 5000.0 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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1 1 6.000000 0 0.0 0.000000 -0.000000 0.000000
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2 2 1.000000 0 0.0 1.247211 1.247211 1.247211
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3 2 1.000000 0 0.0 -1.247211 -1.247211 1.247211
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4 2 1.000000 0 0.0 1.247211 -1.247211 -1.247211
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5 2 1.000000 0 0.0 -1.247211 1.247211 -1.247211
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6 3 0.000000 -1 0.329128 -0.000000 0.000000 -0.000000
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7 3 0.000000 -1 1.486181 0.979221 0.979221 0.979221
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8 3 0.000000 -1 1.486181 -0.979221 -0.979221 0.979221
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9 3 0.000000 -1 1.486181 0.979221 -0.979221 -0.979221
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10 3 0.000000 -1 1.486181 -0.979221 0.979221 -0.979221
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11 3 0.000000 1 0.329128 -0.000000 0.000000 0.000000
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12 3 0.000000 1 1.486181 -0.979221 -0.979221 0.979221
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13 3 0.000000 1 1.486181 0.979221 -0.979221 -0.979221
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14 3 0.000000 1 1.486181 -0.979221 0.979221 -0.979221
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