in.demo
7dc6873c513cefficient_neuronet

in.demo
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			# 3d Lennard-Jones melt

			units lj
			atom_style atomic
			atom_modify map hash

			lattice fcc 0.8442
			region box block 0 10 0 10 0 10
			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

			variable eng equal pe
			variable vy atom vy

			run 100