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=-4.802708891256081 stress="-89.07834514328093 -14.748468189387028 38.89235054997421 -14.748468189387028 -53.23245506163243 -11.906799185124095 38.89235054997421 -11.906799185124095 -59.54808260038121" pbc="F F F" Nb 0.20288723 0.08343331 -0.20414597 -11.87324646 -25.05148727 -17.40960155 Nb 1.44809454 1.72094491 0.23171545 55.46267713 21.74243179 -29.72229069 Nb 1.50893269 -0.10782073 1.62780321 4.98491110 -7.19998128 7.08443691 Nb -0.07514625 1.62990665 1.28220450 -48.57434176 10.50903676 40.04745533