vasp 5.4.4 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex LinuxIFC 2025-10-17T11:37:02.000 3.618923405 3.618923405 5.220172285 90.0 90.0 90.0 246.44560000000004 0 2 500 0.1E-05 0.1E-04 -1 0.5000 0.0 48.0000 -1.0000 0 0.05 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 0.1300 0.3000 0.3000 0.0000 0.8700 0.8700 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 Zr_sv 04Jan2005|PAW_PBE O 08Apr2002 Zr O 91.22 16.00 12.00 6.00 2 4 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 -43.2169 -43.1644 -21.0473 -20.4975 -20.4975 -20.3736 -20.3431 -20.3431 -12.5612 -11.2968 -10.6524 -10.3227 0.6944 1.0476 1.1796 1.1796 3.2251 3.2251 4.5023 4.5023 5.2976 5.6449 5.7043 5.7043 10.4278 10.9001 11.4509 11.6979 12.8977 13.2612 14.3463 14.3463 16.1176 16.1176 16.4197 20.1134 20.1674 21.1768 21.7395 21.7395 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