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 18.0000 -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 4 2 1 K-POINTS 0 Gamma 1 1 1 0 0 0 1 1 -20.1162 -17.4832 -14.0842 -11.1601 -10.7798 -10.0127 -8.8448 -7.2547 -5.2697 -3.2800 -0.5734 -0.0348 0.0658 0.1674 0.1886 0.3257 0.3451 0.4549 0.5055 0.5302 0.5577 0.6262 0.6839 0.6866 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 0.00000 -0.054794 -0.265679 -0.274928 -0.024428 0.156064 0.065174 0.072852 -0.377540 0.036413 -0.040931 0.150686 0.070711 0.405748 0.399351 -0.018341 -0.843724 1.468432 0.870733 0.485278 -1.531314 -0.749763 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 -36.04580392 -36.04580392 -36.04580392 -5.1287 0.1539456E-04 20.0 20.0 20.0 90.0 90.0 90.0 56.0864