vasp 5.3.3 18Dez12 (build Jun 22 2017 15:26:47) complex LinuxIFC 2017-08-02T16:59:35.000+02:00 20.0 20.0 20.0 90.0 90.0 90.0 168.10520000000002 AuxInfo=1/0/N:10,7,9,5,4,6,2,3,1,8,25,24;23/CRV:1.3,3.3,4.3,5.3,6.2,7.3,8.3,9.3;1.1/rA:25C3C3C3C3C3C2CCC3C3HHHHHHHHHHHHO1OO/rB:s1;s2;s3;s4;s1s5;;s3;s8;s9;s2;s4;s5;;s7;s7;s7;s8;s9;;s10;s10;s14;s1s7;s8s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;; true PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001|PAW_PBE O 08Apr2002 C H O 10 12 3 20.000000000 0.000000000 0.000000000 0.000000000 20.000000000 0.000000000 0.000000000 0.000000000 20.000000000 C H O 1.750 0.140 0.700 1.452 1.001 1.342 1 1 -27.0071 -26.1375 -25.6530 -21.0256 -19.4819 -18.6450 -18.3413 -17.3770 -16.5159 -14.9141 -14.5408 -13.8415 -13.4176 -12.8267 -12.1203 -11.8180 -11.6702 -11.5573 -10.9680 -10.6909 -10.1842 -10.0900 -9.7701 -9.3409 -9.0962 -8.9402 -8.3581 -8.2177 -8.1277 -7.7108 -7.5661 -6.6970 -6.2262 -5.6774 -4.8862 -0.9820 -0.9169 -0.6186 -0.4473 -0.3852 -0.3276 0.1021 0.1273 0.1759 0.2800 0.3449 0.4450 0.5902 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 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 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 0.00000 0.00000 -153.68094671 -153.68094671 -153.68094671 -4.7844 20.0 20.0 20.0 90.0 90.0 90.0 168.10520000000002 AuxInfo=1/0/N:10,7,9,5,4,6,2,3,1,8,25,24;23/CRV:1.3,3.3,4.3,5.3,6.2,7.3,8.3,9.3;1.1/rA:25C3C3C3C3C3C2CCC3C3HHHHHHHHHHHHO1OO/rB:s1;s2;s3;s4;s1s5;;s3;s8;s9;s2;s4;s5;;s7;s7;s7;s8;s9;;s10;s10;s14;s1s7;s8s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;