4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-12.45000498044346 stress="-26.1506578888302 -4.213429847781282 0.37208932912297765 -4.213429847781282 -46.979875700836175 -20.96021546409669 0.37208932912297765 -20.96021546409669 -38.106749871566144" pbc="F F F" Nb -0.28095614 0.00082602 0.24624097 -8.74230394 -27.14754994 -22.52652768 Nb 1.64302402 1.35498893 0.11042859 8.82721001 6.62113520 -9.20451927 Nb 1.70947124 -0.14487149 1.55280714 5.11308507 -6.96701535 6.22005382 Nb -0.08666117 1.34655491 1.37241235 -5.19799114 27.49343009 25.51099314