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=-20.4295940147 stress="2.632093052656435 -1.0774250079185115 -0.4589223498407415 -1.0774250079185115 3.645850029224281 0.17677138709804352 -0.4589223498407415 0.17677138709804352 2.937835602605765" pbc="F F F" Nb -0.20355569 0.00137603 0.14851045 2.20264648 5.37637721 5.57580404 Nb 1.72380637 1.42147929 -0.03061256 -3.59589691 -4.31086702 6.45457911 Nb 1.72248504 -0.27285570 1.56225696 -4.87596558 7.67026798 -5.08806693 Nb -0.23866147 1.68272242 1.60538698 6.26921601 -8.73577816 -6.94231623