vasp 5.4.4 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex tekla2IFC 2021-10-27T13:12:35.000 20.0 20.0 20.0 90.0 90.0 90.0 36.0321 0 1 450 0.1E-04 -.2E-01 2 0.1500 0.0 16.0000 -1.0000 0 0.03 F 0 PE 8 0 false F 0.0000 2 PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002 H C 1.00 12.01 1.00 4.00 4 3 K-POINTS 0 Gamma 1 1 1 0 0 0 1 1 -19.2793 -17.2726 -12.8949 -11.0491 -10.5495 -10.5494 -6.5067 -6.5066 -0.4827 0.0184 0.0237 0.0463 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 -0.016324 0.129668 0.168502 -0.006655 0.119222 -0.176097 0.189385 -0.096394 0.008110 -0.118507 -0.105411 -0.000077 -0.690256 -0.624113 -0.000094 0.994938 0.901711 -0.000084 -0.352581 -0.324683 -0.000259 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 -39.86035688 -39.86035688 -39.86035688 -6.3481 0.8772140E-05 20.0 20.0 20.0 90.0 90.0 90.0 36.0321