in.phen3_cff97-class1
2ea115cfc2ecefficient_neuronet

in.phen3_cff97-class1
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			log log.phen3_cff97-class1
			boundary m m m
			units real
			atom_style full
			pair_style lj/cut/coul/cut 15.0
			bond_style harmonic
			angle_style harmonic
			dihedral_style harmonic
			improper_style cvff

			read_data phen3_cff97-class1.data

			thermo_style multi
			minimize 0.0 0.0 100 1000

			write_data phen3_cff97-class1.data2