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=-5.730166950964637 stress="-38.78057584429748 -9.268640464160532 -5.2645648935612055 -9.268640464160532 -28.726005102325274 4.202296516752622 -5.2645648935612055 4.202296516752622 -39.43845221605053" pbc="F F F" Nb 0.27219963 -0.06618674 0.13132919 -18.62642757 -15.35881911 -10.84466972 Nb 1.75978669 1.22592512 -0.21495266 11.64249505 15.28794558 -12.80613927 Nb 1.68365717 0.20288723 1.58343331 13.13066803 -7.11925364 18.84771246 Nb -0.20414597 1.44809454 1.72094491 -6.14673552 7.19012716 4.80309652