water-class1.data
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			LAMMPS data file. msi2lmp v3.9.7 / 24 Oct 2015 / CGCMM for water-class1

			3 atoms
			2 bonds
			1 angles
			0 dihedrals
			0 impropers

			2 atom types
			1 bond types
			1 angle types

			-0.333333333 9.666666667 xlo xhi
			-0.333333333 9.666666667 ylo yhi
			0.000000000 10.000000000 zlo zhi

			Masses

			1 15.999400 # otip
			2 1.007970 # htip

			Pair Coeffs # lj/cut/coul/long

			1 0.1520725945 3.1506561105 # otip
			2 0.0000000000 0.0000000000 # htip

			Bond Coeffs # harmonic

			1 540.6336 0.9570 # otip-htip

			Angle Coeffs # harmonic

			1 50.0000 104.5200 # htip-otip-htip

			Atoms # full

			1 1 1 -0.834000 5.000000000 5.000000000 5.000000000 0 0 0 # otip
			2 1 2 0.417000 4.000000000 5.000000000 5.000000000 0 0 0 # htip
			3 1 2 0.417000 5.000000000 4.000000000 5.000000000 0 0 0 # htip

			Bonds

			1 1 1 2
			2 1 1 3

			Angles

			1 1 2 1 3

lammps/tools/msi2lmp/test/reference/water-class1.data47d6451d033alammm-devel