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=132.02236181684958 stress="-19.62117562208 1.704433202123056 -1.6513792189912382 1.704433202123056 -21.78010116270698 -0.6484052770699834 -1.6513792189912382 -0.6484052770699834 -21.573512238059553" pbc="T T T" Nb -0.14459490 0.11115480 0.11044915 46.89092640 -92.78664995 -33.20271219 Nb 1.70960170 1.31143450 -0.16166483 -144.09259441 64.92594307 26.04582036 Nb 1.16509000 -0.16490224 1.64041416 40.52254926 10.03748860 -43.21898759 Nb -0.22187219 1.47773705 1.32834452 56.67911875 17.82321828 50.37587942