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=20.404998606116724 stress="-4.135988241115539 -0.08383725241692597 0.01956118096722616 -0.08383725241692597 -2.7780799942032344 -0.09346412743324319 0.01956118096722616 -0.09346412743324319 -4.3364223525782775" free_energy=20.404998606116724 pbc="T F T" Zr 2.67032787 0.17871475 0.19104769 9.08394919 -24.15522911 -8.59015939 Zr 1.46850990 1.45283623 2.78353165 -10.83030329 22.42034622 -4.56800652 Zr 1.35166883 0.01229390 1.34628414 -7.70045340 -25.25990186 7.07329108 Zr 2.55478206 1.74339277 1.21156333 9.44680750 26.99478475 6.08487484