vasp 5.4.4 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:36:42) complex LinuxIFC 2024-07-08T10:56:53.000 9.829199791 9.829199791355054 19.012800217 90.0 90.0 60.0 3876.3954000000053 2 2 400 0.1E-04 -.5E-01 1 0.5000 0.0 687.0000 -1.0000 0 0.05 T 3 PE 8 0 false F 0.0000 PAW_PBE Ni 02Aug2007|PAW_PBE O 08Apr2002|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002|PAW_PBE H 15Jun2001 Ni O C O H C O H 58.690 16.000 12.011 16.000 1.000 12.011 16.000 1.000 10.000 6.000 4.000 6.000 1.000 4.000 6.000 1.000 64 3 1 2 1 1 1 2 9.829199791 9.829199791355054 19.012800217 90.0 90.0 60.0 3876.3954000000053