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=-2.357388024133617 stress="-80.19861420011969 17.453350860924708 2.6145227947359615 17.453350860924708 -65.01484795415185 2.3581463462263486 2.6145227947359615 2.3581463462263486 -67.60777149363639" pbc="F F F" Nb 0.03369179 0.02598936 -0.27670350 -21.26016267 -16.01116827 -19.73895522 Nb 1.46375436 1.40583543 -0.24440284 16.15328302 23.94921617 -21.54608117 Nb 1.20178472 0.29874826 1.27290972 43.81818441 -40.06038984 26.12317878 Nb -0.11909813 1.36136659 1.55835534 -38.71130476 32.12234194 15.16185761