vasp 5.4.4 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex tekla2IFC 2021-11-26T18:07:21.000 20.0 20.0 20.0 90.0 90.0 90.0 26.017400000000002 0 1 450 0.1E-04 -.2E-01 2 0.1500 0.0 14.0000 -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 N 08Apr2002 H C N 1.00 12.01 14.00 1.00 4.00 5.00 5 1 1 K-POINTS 0 Gamma 1 1 1 0 0 0 1 1 -21.8270 -16.1297 -11.9989 -10.6765 -9.8359 -8.7877 -5.3180 -0.6218 -0.0218 0.0605 0.1676 0.2638 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.567255 -0.191200 0.183721 -0.062045 -0.003133 -0.185117 -0.062215 0.185180 0.010354 0.095021 -0.050519 -0.036708 0.094885 0.035261 0.051981 -0.070921 -0.178374 0.170159 0.572530 0.202785 -0.194391 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 -35.70925393 -35.70925393 -35.70925393 -5.1724 0.1332768E-03 20.0 20.0 20.0 90.0 90.0 90.0 26.017400000000002