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lammps/tools/msi2lmp/test/in.water-class1
576c6315c7f1efficient_neuronet

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in.water-class1
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log log.water-class1
units real
atom_style full
pair_style lj/cut/coul/cut 15.0
bond_style harmonic
angle_style harmonic
read_data water-class1.data
thermo_style multi
minimize 0.0 0.0 100 1000
write_data water-class1.data2
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