h2-h2o-class2.data
4de9ded00908lammps-icms

h2-h2o-class2.data
View Options

			LAMMPS data file from msi2lmp v3.8 for h2-h2o-class2

			5 atoms
			3 bonds
			1 angles
			0 dihedrals
			0 impropers

			3 atom types
			2 bond types
			1 angle types

			0.000000000 10.000000000 xlo xhi
			0.000000000 10.000000000 ylo yhi
			0.000000000 10.000000000 zlo zhi

			Masses

			1 15.999400
			2 1.007970
			3 1.007970

			Pair Coeffs

			1 0.2740000000 3.6080000000
			2 0.0130000000 1.0980000000
			3 0.0200000000 2.9950000000

			Bond Coeffs

			1 0.9700 563.2800 -1428.2200 1902.1200
			2 0.7414 414.0000 0.0000 0.0000

			Angle Coeffs

			1 103.7000 49.8400 -11.6000 -8.0000

			BondBond Coeffs

			1 -9.5000 0.9700 0.9700

			BondAngle Coeffs

			1 22.3500 22.3500 0.9700 0.9700

			Atoms

			1 2 1 -0.834000 5.000000000 5.000000000 2.500000000
			2 2 2 0.417000 4.000000000 5.000000000 2.500000000
			3 2 2 0.417000 5.000000000 4.000000000 2.500000000
			4 1 3 0.000000 4.600000000 5.000000000 7.500000000
			5 1 3 0.000000 5.400000000 5.000000000 7.500000000

			Bonds

			1 1 1 2
			2 1 1 3
			3 2 4 5

			Angles

			1 1 2 1 3