ethane-oplsaa.data
5f9001a59de0lammm-master

ethane-oplsaa.data
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			LAMMPS data file from msi2lmp v3.8 for ethane-oplsaa

			8 atoms
			7 bonds
			12 angles
			9 dihedrals
			0 impropers

			2 atom types
			2 bond types
			2 angle types
			1 dihedral types

			-5.000000000 5.000000000 xlo xhi
			-5.000000000 5.000000000 ylo yhi
			-5.000000000 5.000000000 zlo zhi

			Masses

			1 12.011150
			2 1.007970

			Pair Coeffs

			1 0.0659999660 3.5000001502
			2 0.0300002576 2.4999982005

			Bond Coeffs

			1 268.0000 1.5290
			2 340.0000 1.0900

			Angle Coeffs

			1 37.5000 110.7000
			2 33.0000 107.8000

			Dihedral Coeffs

			1 0.0000 0.0000 0.3180 0.0000

			Atoms

			1 1 1 -0.180000 4.462910000 -4.851670000 4.999590000 0 1 -1
			2 1 1 -0.180000 -4.034510000 -4.920070000 -4.999750000 1 1 0
			3 1 2 0.060000 4.099550000 -3.945520000 4.497500000 0 1 -1
			4 1 2 0.060000 4.020330000 4.288350000 4.480160000 0 0 -1
			5 1 2 0.060000 4.057610000 -4.843320000 -3.980190000 0 1 0
			6 1 2 0.060000 -3.590020000 -4.055120000 -4.490510000 1 1 0
			7 1 2 0.060000 -3.670120000 4.179410000 -4.488110000 1 0 0
			8 1 2 0.060000 -3.629390000 -4.938620000 3.980150000 1 1 -1

			Bonds

			1 1 1 2
			2 2 1 3
			3 2 1 4
			4 2 1 5
			5 2 2 6
			6 2 2 7
			7 2 2 8

			Angles

			1 1 2 1 3
			2 1 2 1 4
			3 1 2 1 5
			4 2 3 1 4
			5 2 3 1 5
			6 2 4 1 5
			7 1 1 2 6
			8 1 1 2 7
			9 1 1 2 8
			10 2 6 2 7
			11 2 6 2 8
			12 2 7 2 8

			Dihedrals

			1 1 3 1 2 6
			2 1 3 1 2 7
			3 1 3 1 2 8
			4 1 4 1 2 6
			5 1 4 1 2 7
			6 1 4 1 2 8
			7 1 5 1 2 6
			8 1 5 1 2 7
			9 1 5 1 2 8