Diffusion lammps (lammm-devel) Browse

lammps/tools/i-pi/ipi/tests/test.pos_0.xyz
997f7a8845a2lammm-devel

test.pos_0.xyz
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			3
			# CELL(abcABC): 1.00000 1.00000 1.00000 90.00000 90.00000 90.00000
			O 0.00000e+00 1.00000e+00 2.00000e+00
			H 3.00000e+00 4.00000e+00 5.00000e+00
			H 6.00000e+00 7.00000e+00 8.00000e+00
			3
			# CELL(abcABC): 1.00000 1.00000 1.00000 90.00000 90.00000 90.00000
			O 0.00000e+00 2.00000e+00 4.00000e+00
			H 6.00000e+00 8.00000e+00 1.00000e+01
			H 1.20000e+01 1.40000e+01 1.60000e+01