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=77.27648433169541 stress="-14.751309448379212 0.9720698272874413 0.2443163676786734 0.9720698272874413 -11.326098815478197 -0.1060000182576891 0.2443163676786734 -0.1060000182576891 -11.198850990985521" pbc="T F F" Nb -0.14801295 0.06329927 0.09073906 72.91604472 -135.19703763 -105.60736178 Nb 1.77219963 1.43381326 0.13132919 -83.22133819 115.75734889 -101.04422730 Nb 1.75978669 0.18365717 1.70288723 -67.53146561 -110.76916774 101.92878322 Nb 0.08343331 1.29585403 1.44809454 77.83675908 130.20885648 104.72280586