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=10813.12100784662 stress="-40583.28454959074 -4671.299460201231 1693.6183224256893 -4671.299460201231 -53221.60107877753 -16568.3928352152 1693.6183224256893 -16568.3928352152 -41217.13804236184" pbc="F F F" Hf 0.21852517 0.05186006 -0.02459131 -15081.66645253 -31684.34470002 -22255.82538763 Hf 1.62803686 1.39276332 -0.22808836 16972.86496835 15290.54292671 -4191.55704225 Hf 1.36201228 -0.06659145 1.77122785 11080.73511098 -8159.45549730 8509.65215225 Hf -0.08899685 1.34504743 1.37371114 -12971.93362680 24553.25727061 17937.73027762