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=104.52718737582364 stress="-15.492878337543459 1.206169590424829 -0.8166916239639629 1.206169590424829 -7.781933970248912 -0.4818801272110931 -0.8166916239639629 -0.4818801272110931 -14.558601516583856" free_energy=104.52718737582364 pbc="T F T"
Zr       0.02103145       0.18220204       0.07469950     -35.75241192     -80.35374258     -51.10586328
Zr       1.73573857       1.52724172      -0.22461850      -8.75765115      72.92368046      -3.66252114
Zr       1.20296332       0.22083292       1.11810287      63.23193037     -85.51935888      41.60768393
Zr       0.11837909       1.42299150       1.40698366     -18.72186730      92.94942100      13.16070048