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=46.83746098680209 stress="-3.594696451398184 0.06321458044205541 0.3634924738172915 0.06321458044205541 -4.609657784186722 1.3355039911743687 0.3634924738172915 1.3355039911743687 -5.565232657427949" free_energy=46.83746098680209 pbc="F F T" Cd 0.05835534 0.20070203 2.70342959 -38.24162914 -41.52565025 14.46305161 Cd 1.40085166 1.49793547 0.28187239 37.06938193 47.77684431 -19.81281207 Cd 1.51001192 0.10170120 1.37793365 31.38032315 -43.86912050 11.32537600 Cd 0.00082602 1.74624097 1.64302402 -30.20807595 37.61792644 -5.97561554