vasp 5.4.4 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex tekla2IFC 2024-02-06T14:06:15.000 8.0 8.0 8.0 90.0 90.0 90.0 253.80894 2 1 500 0.1E-07 0.1E-06 8 0.5000 0.0 14.0000 -1.0000 0 0.20 F 0 -- 8 0 false F 0.0000 PAW_PBE|I|08Apr2002 I 126.904 7.000 2 1 1 5.7615 -2.3138 0.1230 2.8726 2.8726 -1.6233 -1.6233 -6.1489 0.0567 0.1590 0.3294 0.0727 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.000000 9.160847 0.000000 0.000000 -9.160847 -0.000000 -1.30770500 -1.30770500 -1.30770500 -3.4200 8.0 8.0 8.0 90.0 90.0 90.0 253.80894