vasp 5.4.4 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex tekla2IFC 2021-10-27T12:47:19.000 20.0 20.0 20.0 90.0 90.0 90.0 80.1078 0 1 450 0.1E-04 -.2E-01 2 0.1500 0.0 26.0000 -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 4 1 K-POINTS 0 Gamma 1 1 1 0 0 0 1 1 -21.8984 -18.1912 -17.7607 -13.7850 -13.5637 -12.6255 -9.8721 -9.4430 -9.4293 -9.3103 -8.3974 -6.1872 -5.7805 -1.3149 -0.3904 -0.3894 0.1089 0.1528 0.1827 0.2449 0.2669 0.2951 0.3627 0.6830 2.00000 2.00000 2.00000 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 -0.109412 -0.173927 -0.000916 -0.189469 0.054565 -0.001218 0.116241 -0.168877 0.001256 0.186563 0.062024 0.002323 0.186179 0.273771 0.001246 -0.192756 0.270563 -0.004260 -0.071722 -0.116039 0.000715 0.072369 -0.113305 -0.001222 0.002006 -0.088775 0.002075 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 -54.31266135 -54.31266135 -54.31266135 -5.6294 0.2492658E-04 20.0 20.0 20.0 90.0 90.0 90.0 80.1078