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=-6.13641635297 stress="-106.87650835581223 -78.65769911122564 -12.975837302552387 -78.65769911122564 -76.13941477715466 0.5438991530103907 -12.975837302552387 0.5438991530103907 -21.267625014583185" pbc="F F F" Nb -0.00792870 0.15300231 0.07101897 -299.32300942 -226.92219856 -54.09451139 Nb 1.45774659 1.41852158 0.10694026 272.16415778 233.21749760 -1.43662377 Nb 1.16916908 -0.12349103 1.65782616 34.70026207 -15.55053251 47.07870754 Nb 0.00053116 1.64339576 1.59022900 -7.54141043 9.25523347 8.45242763