h2-h2o-class1.data2
0aa77408f808efficient_neuronet

h2-h2o-class1.data2
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			LAMMPS data file via write_data, version 24 Oct 2015-ICMS, timestep = 16

			5 atoms
			3 atom types
			3 bonds
			2 bond types
			1 angles
			1 angle types

			-2.0000000000000001e-01 9.8000000000000007e+00 xlo xhi
			-2.0000000000000001e-01 9.8000000000000007e+00 ylo yhi
			5.0000000000000000e-01 1.0500000000000000e+01 zlo zhi

			Masses

			1 1.00797
			2 15.9994
			3 1.00797

			Pair Coeffs # lj/cut/coul/cut

			1 0.038 2.44997
			2 0.152073 3.15066
			3 0 0

			Bond Coeffs # harmonic

			1 398.75 0.7461
			2 540.634 0.957

			Angle Coeffs # harmonic

			1 50 104.52

			Atoms # full

			1 1 1 0.0000000000000000e+00 4.6360793448580777e+00 4.9999989751288503e+00 2.5000000000000000e+00 0 0 0
			2 1 1 0.0000000000000000e+00 5.3639187040369425e+00 4.9999989859260383e+00 2.5000000000000000e+00 0 0 0
			3 2 2 -8.3399999999999996e-01 4.9272370060124890e+00 4.9272370489778368e+00 7.5000000000000000e+00 0 0 0
			4 2 3 4.1699999999999998e-01 3.9745202805917161e+00 5.0982446721165102e+00 7.5000000000000000e+00 0 0 0
			5 2 3 4.1699999999999998e-01 5.0982446645007720e+00 3.9745203178507658e+00 7.5000000000000000e+00 0 0 0

			Velocities

			1 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
			2 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
			3 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
			4 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
			5 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00

			Bonds

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

			Angles

			1 1 4 3 5