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=43.89485423460201 stress="-5.8129279508237675 1.0981495014111569 -0.25941017554414714 1.0981495014111569 -4.567854976427625 -0.30994971098223956 -0.25941017554414714 -0.30994971098223956 -3.744024884985756" pbc="T F F"
Zr      -0.06254558       0.09073906       0.27219963      -8.34586833     -46.05578488     -48.00771705 
Zr       1.43381326       1.63132919       0.25978669      10.71247591      27.21576923     -29.96064204 
Zr       1.22592512       0.18365717       1.70288723      38.93333849     -52.77784525      35.45696470 
Zr       0.08343331       1.29585403       1.44809454     -41.29994607      71.61786090      42.51139440