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=5558.781220261952 stress="-29214.644867563045 5329.082330253027 -8685.083533486526 5329.082330253027 -20896.346028514203 -381.44608631347364 -8685.083533486526 -381.44608631347364 -21722.293854223848" pbc="F F F" Nb -0.17398041 -0.08121389 0.04522063 -12982.72262210 -3521.12278440 -10279.69714130 Nb 1.45494086 1.52677641 -0.21382643 2707.05312480 4925.05827491 -5393.18837858 Nb 1.41946736 -0.06361387 1.20078564 16740.98393197 -9926.77596386 9918.84643054 Nb 0.11538139 1.46188804 1.58558771 -6465.31443467 8522.84047334 5754.03908934