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=7.026665382748831 stress="-4.3386068580373065 0.5532747285517677 -0.051849351454360225 0.5532747285517677 -4.68818817343854 0.09365665010360995 -0.051849351454360225 0.09365665010360995 -2.608007627585768" free_energy=7.026665382748831 pbc="T T F" Zr 0.39645456 0.07553336 0.04765730 -7.47277813 0.98796652 -27.40563365 Zr 1.46657140 1.59583138 0.17504889 7.22961957 0.81136234 -24.96329516 Nb 1.61860870 0.00230811 1.45779895 14.43074075 -11.68325406 26.16501213 Nb 0.18739928 1.43975670 1.44820945 -14.18758218 9.88392520 26.20391669