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=-3.44128892697321 stress="-39.44986730151332 -9.140111810029016 -20.26536991478231 -9.140111810029016 -42.08340332813163 5.6832077986687235 -20.26536991478231 5.6832077986687235 -37.541636528540764" pbc="F F F" Zr 0.29391194 -0.27385471 0.02103145 -22.88947912 -16.68550132 -17.16268248 Zr 1.27761356 1.68220204 -0.10637159 4.74531662 20.16106561 -10.14196137 Zr 1.73573857 0.02724172 1.27538150 22.38523883 -6.27036409 22.81495473 Zr -0.29703668 1.34887301 1.72083292 -4.24107633 2.79479980 4.48968912