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 44.0757 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 S 06Sep2000 H C S 1.00 12.01 32.07 1.00 4.00 6.00 4 1 1 K-POINTS 0 Gamma 1 1 1 0 0 0 1 1 -19.4400 -15.8767 -11.0107 -10.4115 -9.7037 -8.0647 -5.5208 -0.8760 -0.2988 0.0195 0.2142 0.2328 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.128460 -0.083242 0.154758 -0.090041 -0.124409 -0.156552 -0.045261 0.207970 -0.032669 0.151314 -0.129281 0.034795 0.153497 -0.405386 0.074123 -0.041049 0.534348 -0.074455 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 -27.67320668 -27.67320668 -27.67320668 -5.3387 0.2618379E-04 20.0 20.0 20.0 90.0 90.0 90.0 44.0757