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=34588.97040515247 pbc="F T F" Nb 0.09243873 0.24890471 0.05980323 41 -129286.82148229 -138335.54015743 2396.30595920 Nb 1.24804010 1.34345397 -0.25980057 41 127583.05677802 122190.47853813 -45317.69629621 Nb 1.65919861 0.34654269 1.46826251 41 18985.55628304 -11145.07925588 10825.94616669 Nb -0.04101516 1.31958536 1.54432230 41 -17281.79157877 27290.14087518 32095.44417032