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=101.29356403321312 stress="-7.281607427631117 0.19496831801888415 1.9865985899227827 0.19496831801888415 -6.7695145724083705 1.0606180408261523 1.9865985899227827 1.0606180408261523 -11.612295350487052" pbc="F F T" Zr 0.29874826 0.05835534 -0.25354363 -75.57560110 -72.42016001 31.80213796 Zr 1.48193431 1.42001865 0.20070203 74.48700723 67.95596398 -32.69305650 Zr 1.20342959 0.28187239 1.51001192 98.65037426 -76.96001812 -13.41586641 Zr 0.10170120 1.37793365 1.21904386 -97.56178039 81.42421416 14.30678495