vasp 6.4.2 20Jul23 (build Jul 31 2024 16:08:57) complex LinuxIFC 2025-08-20T16:10:03.000 5.182205355415781 5.1822062907028315 21.209092 86.5 86.5 60.0 1096.6400000000003 5.182205355415781 5.1822062907028315 21.209092 86.5 86.5 60.0 1096.6400000000003 2 2 0.1000 0.0 186.0000 -1.0000 1 0.20 F 0 BF 17 F 0 false F 0.0000 PAW_PBE Cu 05Jan2001|PAW_PBE Br 06Sep2000|PAW_PBE H 15Jun2001 Cu Br H 63.546 79.904 1.000 11.000 7.000 1.000 16 1 3 K-Points file 0 Gamma 7 7 1 0 0 0 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 -15.8513 -10.5881 -9.6168 -8.0078 -7.6489 -7.6482 -6.5939 -6.3055 -6.1175 -6.1170 -6.0669 -6.0666 -6.0577 -6.0276 -5.7312 -5.7300 -5.7001 -5.6406 -5.6398 -5.6205 -5.4663 -5.4660 -5.3996 -5.0336 -5.0039 -5.0033 -4.9042 -4.7422 -4.7420 -4.6928 -4.6030 -4.5967 -4.5602 -4.5425 -4.5417 -4.4802 -4.4797 -4.4643 -4.4306 -4.4303 -4.4097 -4.4024 -4.3991 -4.3986 -4.3386 -4.3351 -4.2467 -4.1748 -4.1747 -4.1490 -4.1486 -4.1164 -3.9503 -3.9029 -3.8995 -3.8099 -3.8088 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