Diffusion lammps (lammm-master) Browse

lammps/examples/USER/eff/H/data.h_atom.ang
775e8f3cc8f5lammm-master

data.h_atom.ang
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			Created by AJB

			4 atoms
			2 atom types

			-0.529177 0.529177 xlo xhi
			-0.529177 0.529177 ylo yhi
			-0.529177 0.529177 zlo zhi

			Masses

			1 1.000794 # H nuclei mass
			2 1.000000 # electron mass

			Atoms

			1 1 1.0 0 0.000000 0.000000 0.000000 0.000000
			2 2 0.0 1 0.529177 0.000000 0.000000 0.000000
			3 1 1.0 0 0.000000 0.264589 0.000000 0.000000
			4 2 0.0 1 0.529177 0.264589 0.000000 0.000000