vasp 5.4.4 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex MareNostrum4 2022-08-03T22:37:55.000 12.148307014 8.59015027 24.592691884 90.0 90.0 90.0 3418.1942000000017 AuxInfo=1/0/N: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;61;62;63;64;65;66;67;68;69;70;71/rA:71CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O3O4O4OO3OO4O1O3OO3OO4OO3O4O3O3O4O4O3O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s5s16s17s39;s19s26s33;s22s23s24s39;s7s26s35s46;s14s37;s8s38s45;s18s21;s34s36s38s47;s1;s1s15s29;s31s34;s31s32s33;s15s48;s3s42s43s44;s32s41;s8s28s41;s3s27s29s30;s2s25s27;s4s5s40;s11s12s13s21;s10s16s30s37;s18s19s20;s9s12s36s46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 1 450 0.1E-05 -.3E-01 2 0.3000 0.0 666.0000 -1.0000 0 0.03 T 3 PE 8 0 false F 0.0000 2 PAW_PBE Cu 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