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=27.355827768919156 stress="-139.98533930588843 11.852709660626081 93.04646198521328 11.852709660626081 -88.7268420444311 17.311741852376137 93.04646198521328 17.311741852376137 -165.4658366482814" pbc="F F F" Nb 0.27500470 -0.13833825 -0.09601473 -12.16083860 -21.58799738 -11.52151267 Nb 1.28802619 1.72277084 0.18584377 101.28661286 33.48954187 -121.83081000 Nb 1.68362810 0.19581920 1.64685009 26.09385186 -32.41982076 21.98835997 Nb 0.26959405 1.67626233 1.35402479 -115.21962612 20.51827627 111.36396269