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=107.42000462069481 stress="-14.274916172753217 1.434725539568541 -0.8534199134426254 1.434725539568541 -14.4557688273207 -0.17658212253367894 -0.8534199134426254 -0.17658212253367894 -8.316459597177467" free_energy=107.42000462069481 pbc="T T F"
Zr       0.15671966      -0.05384344       0.15488783     -34.88716668     -39.80919898     -95.68187518
Zr       1.55988540       1.20245745       0.16431082      21.53784694      32.68705368     -71.79743391
Zr       1.14522227      -0.01155935       1.53277713      75.26404352     -67.44319155      90.22356643
Zr       0.12558536       1.09980665       1.46097674     -61.91472377      74.56533685      77.25574266