vasp 5.4.4 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex tekla2IFC 2019-02-18T09:48:00.000+01:00 10.0 10.0 10.0 90.0 90.0 90.0 31.9988 AuxInfo=1/0/N:1,2/E:(1,2)/CRV:1.1,2.1/rA:2O1O1/rB:s1;/rC:;; 2 600 0.1E-04 -.1E-02 -1 0.5000 0.0 12.0000 -1.0000 0 0.01 F 0 PE 8 0 0 true F normal F F F F -1.0 4 -1 1 F 1 1 1 F F F F -1.0000 0.0000 0.2500 0.2000 0.2000 0.0000 0.7500 0.7500 1.0000 -1.0 1 64 F F F F F 0 0.1000 -1.0 0.2000000E-02 -0.100 0.000 0.0000000 PAW_PBE|O|08Apr2002 O 16.000 6.000 2 10.000000000 0.000000000 0.000000000 0.000000000 10.000000000 0.000000000 0.000000000 0.000000000 10.000000000 1 1 -35.6859 -23.4226 -15.3098 -15.3098 -14.9275 -8.7171 -8.7171 -0.1914 1.0505 1.2349 1.2496 1.3083 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2 1 -33.9804 -20.7824 -13.8289 -12.2465 -12.2465 -3.4236 -3.4235 -0.1340 1.2059 1.3089 1.3124 1.3593 1.00000 1.00000 1.00000 1.00000 1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -13.96858344 -13.96858344 -13.96858344 -8.5782 10.0 10.0 10.0 90.0 90.0 90.0 31.9988 AuxInfo=1/0/N:1,2/E:(1,2)/CRV:1.1,2.1/rA:2O1O1/rB:s1;/rC:;;