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=47.87669302616173 stress="-3.2857744021121214 -0.013701860152507826 0.04614201903023784 -0.013701860152507826 -3.4713179311883913 -0.02038413349656915 0.04614201903023784 -0.02038413349656915 -3.8386700302840073" free_energy=47.87669302616173 pbc="F F T" Nb 0.04376171 0.19273990 -0.19277068 -32.35786116 -38.20586507 7.60150189 Nb 1.26172667 1.55332204 -0.11563527 37.40977833 34.28600256 9.97870955 Nb 1.73110688 0.01283276 1.70071341 27.57418065 -26.38722565 -7.31166919 Nb 0.14720807 1.58942344 1.45706424 -32.62609782 30.30708816 -10.26854225