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=-19.0142485577 stress="-6.5405942524416005 3.0955589801977643 0.8710064748850449 3.0955589801977643 -8.468291235139176 1.5561833781125507 0.8710064748850449 1.5561833781125507 -3.7813815858906126" pbc="F F F" Nb -0.12849674 -0.07820639 -0.24781013 -4.58382867 -1.68273452 -5.79276339 Nb 1.66267070 1.73750843 0.14026153 4.57273649 16.53935076 -11.15512524 Nb 1.33192698 0.05269463 1.21929673 20.75374812 -32.52110503 10.29028955 Nb -0.17328860 1.35268773 1.55876836 -20.74265595 17.66448878 6.65759908