vasp 5.4.4 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex tekla2IFC 2021-11-26T16:07:52.000 20.0 20.0 20.0 90.0 90.0 90.0 56.0864 0 1 450 0.1E-04 -.2E-01 2 0.1500 0.0 20.0000 -1.0000 0 0.03 F 0 PE 8 0 false F 0.0000 2 PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE S 06Sep2000 H C S 1.00 12.01 32.07 1.00 4.00 6.00 6 2 1 K-POINTS 0 Gamma 1 1 1 0 0 0 1 1 -19.7730 -17.3344 -14.6856 -10.7468 -10.6715 -10.2588 -9.8225 -8.8889 -7.5503 -5.0175 -0.5443 -0.4176 0.0472 0.1103 0.1733 0.2866 0.3419 0.4008 0.4935 0.5282 0.5799 0.6559 0.6778 0.6857 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.002745 0.157460 0.188034 -0.072329 -0.197915 -0.006689 0.001503 0.165770 -0.179598 0.074114 -0.197560 -0.002203 -0.004902 0.156600 0.187978 -0.001747 0.166994 -0.179400 0.161229 -0.034366 0.003137 -0.161290 -0.040973 -0.003014 0.006166 -0.176010 -0.008245 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 -44.25900363 -44.25900363 -44.25900363 -4.8739 0.1876996E-04 20.0 20.0 20.0 90.0 90.0 90.0 56.0864