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LAMMPS Script
# LAMMPS input script units lj dimension 3 atom_style atomic lattice fcc 0.8442 region box block 0 4 0 4 0 4 create_box 1 box create_atoms 1 box mass 1 1.0 velocity all create 1.44 87287 loop geom pair_style lj/cut 2.5 pair_coeff 1 1 1.0 1.0 2.5 neighbor 0.3 bin neigh_modify delay 0 every 20 check no fix 1 all nve thermo 100 dump 1 all xyz 50 trajectory.xyz run 1000 undump 1
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