vasp 5.4.4 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex tekla2IFC 2019-02-08T18:45:38.000+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:;; 1 750 0.1E-06 -.1E-02 -1 0.5000 0.0 12.0000 -1.0000 0 0.01 F 0 PS 14 0 false F 0.0000 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 Gamma 1 1 1 0. 0. 0. 1 1 -32.0473 -19.6406 -12.9621 -12.4807 -12.4804 -5.8383 -5.8380 -0.2324 0.9819 1.1957 1.2098 1.2576 2.00000 2.00000 2.00000 2.00000 2.00000 1.00015 0.99985 0.00000 0.00000 0.00000 0.00000 0.00000 -9.15979699 -9.14851320 -9.15415509 -5.8373 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:;;