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lammps/lib/qmmm/example-ec/mm-slave/data.single_water
81879899299drunner

data.single_water
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			LAMMPS data file for water

			3 atoms
			0 bonds
			0 angles
			0 dihedrals
			0 impropers

			2 atom types
			0 bond types
			0 angle types
			0 dihedral types
			0 improper types

			0.0 9.865 xlo xhi
			0.0 9.865 ylo yhi
			0.0 9.865 zlo zhi

			Masses

			1 15.9994
			2 1.008

			Pair Coeffs

			1 0.102 3.188
			2 0.000 0.000

			Atoms

			1 0 1 0.00000 4.890520 4.325756 3.842052
			2 0 2 0.00000 3.893761 4.308535 3.950637
			3 0 2 0.00000 4.946166 4.514250 2.851741