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:Z:I:1:forces:R:3 energy=204.363912031 pbc="T T F" Nb 0.08407602 0.33863628 0.44854923 41 -47.54149453 -204.54879950 -226.99986234 Nb 1.45717459 1.35402479 0.31605635 41 37.13913764 158.38525552 -203.99719218 Nb 1.49207130 0.16661829 1.53848316 41 18.01658399 -136.47021799 200.97233881 Nb -0.04225341 1.41852158 1.45789336 41 -7.61422711 182.63376197 230.02471571