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=132.1382597984475 stress="-17.1531096696896 0.32489200798972345 0.6588438305667118 0.32489200798972345 -14.932866724075346 -0.8276874894459217 0.6588438305667118 -0.8276874894459217 -22.572758641601915" pbc="T F T" Nb -0.08147842 0.19178619 0.17895518 110.78087849 -159.62627351 -84.62953307 Nb 1.79140871 1.61455359 0.03253581 -130.17421179 140.59946158 -19.95884197 Nb 1.64904689 0.10609294 1.46603997 -127.13065186 -149.44739384 55.46644780 Nb -0.19401975 1.32157598 1.51361598 146.52398516 168.47420577 49.12192724