vasp 5.4.4 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex MareNostrum4 2022-08-04T21:52:34.000 7.242524 7.242524 24.242524 90.0 90.0 90.0 2589.8382 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;20;21;41,43;42/E:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;(1,2);/CRV:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-1,2-1;/rA:43CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO3O/rB:;s2;s2s3;s2s3s4;s4s5;s4s5s6;s6;s2s3;s6s7;;s11;s2s5s9s11s12;s2s5s6s12s13;s12s13s14;s14s15;s5s6s10s14s15s16;s2s9s11s12s13;s2s3s9;s16;s20;s1s2s18s19;s1s22;s1s2s4s19s22s23;s23s24;s2s4s6s14s23s24s25;s21s25s26;s4s6s8s25s26s27;s27s28;s6s8s21s27s28s29;s22s23;s12s18s31;s31s32;s2s12s14s18s22s23s26s31s32s33;s23s26s27s33s34;s12s14s16s33s34s35;s20s21s35s36;s6s14s16s20s21s26s27s30s35s36s37;s10s30;s39;s20;s8s30s39;s21s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 1 450 0.1E-05 -.3E-01 2 0.3000 0.0 458.0000 -1.0000 0 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