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=-14.850258937350034 stress="-26.51612620717982 -0.08896666389306729 1.1608639843485555 -0.08896666389306729 -32.72420368224932 8.972677764170955 1.1608639843485555 8.972677764170955 -31.76586345813847" pbc="F F F" Nb -0.12633864 -0.03902326 -0.21780693 -6.11141420 -5.91126432 -9.86506521 Nb 1.71813893 1.26716069 0.19410236 9.19572075 15.00135512 -12.58290177 Nb 1.33096497 -0.11798803 1.43300593 5.63705819 -17.98779824 15.82730681 Nb -0.27997518 1.27696427 1.41661558 -8.72136474 8.89770745 6.62066017