4 Lattice="3.5 0.0 0.0 0.0 3.5 0.0 0.0 0.0 3.5" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-15.443387651376808 pbc="T F T" Nb -0.03396003 -0.19401975 -0.08768496 41 1.86675136 -10.65753414 -3.34215125 Nb 1.69742924 1.60198705 -0.02432459 41 3.27302471 13.24373051 -5.39402634 Nb 1.81329927 -0.06254558 1.52846858 41 -1.14365028 -15.46178712 5.61463530 Nb 0.12584348 1.59126820 1.59140700 41 -3.99612579 12.87559076 3.12154230