in.respa-101
6e53fc9e7dcdefficient_neuronet

in.respa-101
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			# 3d Lennard-Jones melt

			timer off
			units lj
			atom_style atomic

			lattice fcc 0.8442
			region box block 0 10 0 10 0 10
			create_box 2 box
			create_atoms 1 box
			mass 1 1.0
			mass 2 1.0
			region half block -0.1 4.9 0 10 0 10
			set region half type 2

			velocity all create 1.44 87287 loop geom

			pair_style hybrid lj/cut 5.0 lj/cut 5.0
			pair_coeff 1 1 lj/cut 1 1.0 1.0
			pair_coeff 1 2 lj/cut 1 1.0 1.0
			pair_coeff 2 2 lj/cut 2 1.0 1.0

			neighbor 0.3 bin
			neigh_modify every 4 delay 0 check no

			fix 1 all nve

			run_style respa 1 hybrid 1 1
			timestep 0.001

			thermo 40

			info all
			run 200