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=-10.022666475381849 stress="-2.424261666077014 -1.2559473523199252 0.13211965879378806 -1.2559473523199252 -3.708038581763856 -0.5061323418584522 0.13211965879378806 -0.5061323418584522 -2.7665076454911453" pbc="F F F" Ni -0.12280496 -0.20130994 0.11041876 -1.26409645 -2.11541570 -0.88768327 Ni 1.26735611 1.33533445 -0.25851365 1.09899665 1.32443160 -0.91629857 Ni 1.58611608 0.03369179 1.52598936 0.49488847 -0.24881345 0.76191657 Ni -0.27670350 1.46375436 1.40583543 -0.32978867 1.03979756 1.04206527