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=9413.850062186368 stress="-53523.6346260745 7817.711116506288 -20231.161780059912 7817.711116506288 -31690.893391393813 -3716.8724152747127 -20231.161780059912 -3716.8724152747127 -34122.02569981912" pbc="F F F" Nb -0.17530215 -0.00399675 0.25187033 -28263.73035942 -6411.84617100 -19352.80462190 Nb 1.27794339 1.52661609 -0.26690289 4341.28272658 4900.64660096 -6930.72515272 Nb 1.34840049 0.02169307 1.31319727 33480.04698587 -13798.53304243 17630.64589027 Nb 0.22217751 1.59919144 1.61727311 -9557.59935303 15309.73261247 8652.88388436