18 lines
513 B
Plaintext
18 lines
513 B
Plaintext
pair_modify mix arithmetic
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pair_coeff 1 1 0.15540152963671128 3.166
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pair_coeff 4 4 0.09999999999999999 2.584
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pair_coeff 5 5 0.09999999999999999 4.401
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pair_coeff 6 6 5.29 2.951
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pair_coeff 7 7 5.29 2.951
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pair_coeff 2 2 0.0 0.0
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pair_coeff 3 3 0.0 0.0
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bond_coeff 1 450 0.9999965664194801
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bond_coeff 2 450 0.9999965664194801
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angle_coeff 1 55 109.46937551578806
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group SPC type 1 2 3
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fix fx_rattle_SPC SPC shake 1.0e-4 20 0 b 1 2 a 1
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group bot type 6
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group top type 7
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group ele type 6 7
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group electrolyte type 1 2 3 4 5
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