vasp 5.4.4 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex tekla2IFC 2021-04-01T20:26:19.000 14.801931899372246 14.801931899372246 19.0 90.0 90.0 60.0 956.6012000000006 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