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=48.57437322763059 stress="-7.466102274291414 -0.4729505794442009 -0.3978709585718779 -0.4729505794442009 -4.667165819253528 0.20490809767395982 -0.3978709585718779 0.20490809767395982 -5.083553035950691" free_energy=48.57437322763059 pbc="T F F"
Zr       0.09995250       0.26120756       0.01193751      15.48347638     -52.62477042     -42.70759300
Zr       1.75226748       1.46431997       0.04396501     -27.70414850      48.82528900     -43.69068218
Zr       1.57236142       0.20379337       1.73854596     -31.17511387     -58.77732490      38.19002534
Zr      -0.23077820       1.28229695       1.52031036      43.39578599      62.57680631      48.20824983