Diffusion lammps (lammm-master-deprecated) Browse

lammps/bench/POTENTIALS/CdTe.bop
f3404420e445lammm-master-deprecated

CdTe.bop
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			elements:
			2
			48 1.124118e+02 Cd
			52 1.276030e+02 Te

			global:
			1.00e-05 1.00e-05 1.00e-05 1.00e-05 1.00e-05 1.00e-03 1.00e-05
			2 9.900000e-01 1.000000e-02
			2.0 0.625 1
			1.573798e+01 1.137622e+00 2.087779e+00
			2.218068e+01 2.689731e+00
			2.000000e+00 0.000000e+00

			ptrs:
			0.000000e+00 1.000000e+00 4.200000e-01
			0.000000e+00 1.000000e+00 4.606863e-01

			pairs:
			3.127600e+00 3.127600e+00 3.730300e+00 4.333000e+00
			3.263155e+00 1.553883e+00 2.800000e+00
			1.863695e-01 2.383177e-01 9.759853e-02
			0.000000e+00 5.611298e-01 0.000000e+00
			1.000000e+00 1.000000e+00 0.000000e+00
			4.318628e-01 1.500000e+01 1.000000e+06
			3.127600e+00 3.127600e+00 4.013800e+00 4.900000e+00
			2.587831e+00 1.287478e+00 2.811251e+00
			6.314400e-01 8.252896e-01 3.174259e-02
			0.000000e+00 1.286955e+00 0.000000e+00
			1.000000e+00 1.000000e+00 0.000000e+00
			5.000000e-01 0.000000e+00 1.000000e+06
			3.162600e+00 3.162600e+00 3.804600e+00 4.446500e+00
			2.458846e+00 1.223306e+00 2.799998e+00
			8.769118e-01 7.826353e-01 5.312050e-01
			0.000000e+00 1.014809e+00 0.000000e+00
			1.000000e+00 1.000000e+00 0.000000e+00
			3.312269e-01 -2.860190e+00 1.000000e+06

			tris:
			3.968701e-01 8.810195e-01 -2.778897e-01
			-1.007128e-01 10.000000e-01 1.007128e-01
			2.007322e-01 6.000000e-01 1.992678e-01
			2.095238e-01 6.000000e-01 1.904762e-01
			3.928496e-03 9.999272e-01 -3.855665e-03
			1.171817e-01 8.348116e-01 4.800670e-02