vasp 5.3.3 18Dez12 (build Jun 22 2017 15:26:47) complex LinuxIFC 2017-09-22T22:33:48.000+02:00 16.0 16.755911623306684 16.0 90.0 90.0 107.28 168.10520000000002 AuxInfo=1/0/N:10,7,9,4,5,2,3,8,6,1,25,23,24/CRV:1.3,3.3,4.3,5.3,6.3,7.3,9.3,10.3/rA:25C3C3C3C3C3C3CCC3C3HHHHHHHHHHHHOOO/rB:s1;s2;s3;s4;s1s5;;s3;s8;s9;s2;s4;s5;;s7;s7;s7;s8;s9;;s10;s10;s6s14;s1s7;s8s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;; 1 450 0.1E-05 -.1E-01 2 0.1000 0.0 70.0000 -1.0000 0 0.01 F 0 PE false true PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001|PAW_PBE O 08Apr2002 C H O 12.01 1.00 16.00 4.00 1.00 6.00 10 12 3 16.000000000 0.000000000 0.000000000 -4.975999832 16.000000000 0.000000000 0.000000000 0.000000000 16.000000000 C H O 1.750 0.140 0.700 1.452 1.001 1.342 1 1 -26.8956 -26.0656 -25.2449 -20.9364 -19.4054 -18.5294 -18.2434 -17.2586 -16.2603 -14.7776 -14.4099 -13.7222 -13.3949 -12.8777 -12.0797 -11.6557 -11.4022 -11.0284 -10.7311 -10.5176 -10.1549 -9.9952 -9.7245 -9.2686 -9.0317 -8.6494 -8.3129 -8.0487 -7.9891 -7.6145 -7.5246 -6.5981 -6.0531 -5.6180 -4.8278 -1.1836 -0.7349 -0.4367 -0.2217 -0.1965 -0.1086 0.1652 0.2343 0.4575 0.4883 0.5972 0.6982 0.8130 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 -153.74103648 -153.74103648 -153.74103648 0.4167092E-04 -4.7611 16.0 16.755911623306684 16.0 90.0 90.0 107.28 168.10520000000002 AuxInfo=1/0/N:10,7,9,4,5,2,3,8,6,1,25,23,24/CRV:1.3,3.3,4.3,5.3,6.3,7.3,9.3,10.3/rA:25C3C3C3C3C3C3CCC3C3HHHHHHHHHHHHOOO/rB:s1;s2;s3;s4;s1s5;;s3;s8;s9;s2;s4;s5;;s7;s7;s7;s8;s9;;s10;s10;s6s14;s1s7;s8s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;