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=107.72745122514257 stress="-9.077566219993852 -1.4663341182330993 0.30844759184805753 -1.4663341182330993 -14.640476648591608 -0.1103202908375246 0.30844759184805753 -0.1103202908375246 -12.392511225939627" free_energy=107.72745122514257 pbc="F T T"
Zr       0.18745344       0.02015752      -0.12029223     -75.48914274      33.23527338      64.01005109
Zr       1.77711528       1.37871118      -0.24786923      75.43711747     -13.25104488      34.84615046
Zr       1.23125112      -0.28175649       1.63616082     113.63590733      54.01494642     -63.03076018
Zr       0.12968218       1.71980528       1.79977655    -113.58388206     -73.99917492     -35.82544137