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=101.29356403237614 stress="-7.281607128520709 0.19496852854928587 1.9865979165565095 0.19496852854928587 -6.769514202994226 1.0606175970207328 1.9865979165565095 1.0606175970207328 -11.612297102961522" pbc="F F T" Zr 0.29874826 0.05835534 -0.25354363 -75.57559569 -72.42015410 31.80212914 Zr 1.48193431 1.42001865 0.20070203 74.48700182 67.95595763 -32.69304226 Zr 1.20342959 0.28187239 1.51001192 98.65037273 -76.96001638 -13.41586617 Zr 0.10170120 1.37793365 1.21904386 -97.56177887 81.42421286 14.30677929