data.C2H6fc.bohr
d0bbf3fb9785lammps-icms

data.C2H6fc.bohr
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			Created using cfg2lammps (c) AJB-2009

			22 atoms
			3 atom types

			-1000.000 1000.0 xlo xhi
			-1000.000 1000.0 ylo yhi
			-1000.000 1000.0 zlo zhi

			Masses

			1 12.010700
			2 1.007940
			3 1.000000

			Atoms

			1 1 6 2 0.328666 -2.01891e-07 -2.24196e-11 1.41823
			2 1 6 2 0.328666 2.02074e-07 2.13734e-12 -1.41823
			3 2 1 0 0 -2.07185 1.73981e-11 2.20637
			4 2 1 0 0 1.03592 1.79427 2.20637
			5 2 1 0 0 1.03592 -1.79427 2.20637
			6 2 1 0 0 2.07185 -4.74225e-12 -2.20637
			7 2 1 0 0 -1.03592 -1.79427 -2.20637
			8 2 1 0 0 -1.03592 1.79427 -2.20637
			9 3 0 1 1.27168 8.92203e-10 2.31772e-09 -1.56875e-07
			10 3 0 -1 1.27168 -2.00948e-10 -2.36629e-09 1.21337e-07
			11 3 0 1 1.52028 -1.64679 -3.01708e-10 2.03279
			12 3 0 -1 1.52028 -1.64679 3.02717e-10 2.03279
			13 3 0 1 1.52028 0.823395 1.42616 2.03279
			14 3 0 -1 1.52028 0.823395 1.42616 2.03279
			15 3 0 1 1.52028 0.823395 -1.42616 2.03279
			16 3 0 -1 1.52028 0.823395 -1.42616 2.03279
			17 3 0 1 1.52028 1.64679 5.18964e-10 -2.03279
			18 3 0 -1 1.52028 1.64679 -5.17001e-10 -2.03279
			19 3 0 1 1.52028 -0.823395 -1.42616 -2.03279
			20 3 0 -1 1.52028 -0.823395 -1.42616 -2.03279
			21 3 0 1 1.52028 -0.823395 1.42616 -2.03279
			22 3 0 -1 1.52028 -0.823395 1.42616 -2.03279