32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=328.60320507076506 stress="-7.781857130629347 -0.10082683760759915 -0.27095932916121795 -0.10082683760759915 -7.874387936066493 0.3192026434958689 -0.27095932916121795 0.3192026434958689 -7.707495995593168" free_energy=328.60320507076506 pbc="F F F" Zr 0.00601457 0.12771106 0.02805905 -33.44500211 -53.51251791 -51.07500484 Zr 1.01904318 1.91530616 0.04683757 20.97401497 13.69300151 -100.39197405 Zr 1.50198220 0.18292312 1.50795275 7.46950042 -95.56497263 -30.17109727 Zr 0.21547056 1.29027034 1.31443845 -110.92268020 1.08869804 18.26089953 Ni 2.75274849 0.04797327 0.15944719 3.14446238 -16.01922618 -30.43365288 Zr 4.75900491 1.17259289 0.25685297 36.31167963 7.14585687 -51.19079755 Ni 4.21574623 0.12784938 1.43372255 13.41752433 -51.43803250 10.41584062 Zr 2.98887480 1.73666665 1.50644563 28.99607582 -49.70126345 -42.74218169 Ni 0.01942903 3.47397884 0.20408111 -50.01341071 -6.10540760 -24.16509856 Ni 1.45741378 4.45887194 0.03691384 -1.21438905 31.30706321 -43.79357534 Ni 1.20677130 3.07736569 1.72577322 -33.86443265 77.03346654 -40.39762158 Zr 0.14977756 4.59364432 1.70980684 -38.41924286 56.97730991 1.25620528 Zr 3.03273964 3.07675992 0.29497883 -14.83777998 -15.91310020 -98.21821771 Zr 4.29599801 4.31113270 0.29119256 52.06972029 95.05990552 -94.65923556 Ni 4.30691229 3.40895391 1.44564997 62.67481062 -43.20789113 58.20226263 Ni 2.68853087 4.49214527 1.25618986 10.83338816 61.07987451 27.25293099 Zr 0.19215061 0.16717744 3.14995810 -50.18709510 -58.39366112 24.62589977 Zr 1.25491735 1.66523617 2.88290997 20.83455548 -71.29329147 38.78406589 Ni 1.37846166 0.18360837 4.62919136 33.48864716 -36.47793907 14.68359108 Ni 0.14592855 1.32706660 4.70359985 -39.72035355 26.28664095 19.29099229 Zr 2.75068542 0.15154029 2.78973682 27.29229587 -65.80509408 41.41384531 Zr 4.79811016 1.42014419 2.56119573 55.26043098 1.85971791 19.43099366 Zr 4.49582161 0.05926218 4.22754451 18.77793247 -23.67435853 23.95044832 Ni 3.23715536 1.52704010 4.28209294 -0.69908610 -34.70436801 30.45866182 Zr 0.20470050 2.77493780 3.12749873 -121.65824121 54.47877852 60.60936462 Ni 1.76803117 4.61781300 3.31227782 -39.53674840 38.17893628 -35.60683357 Ni 1.71338862 2.59083207 4.20918501 -13.49376362 26.55998394 82.12495782 Ni 0.25219415 4.60052481 4.57924967 -7.56263723 4.53341155 8.45994978 Ni 2.78416794 2.90870368 2.71891997 58.26871962 64.58841297 63.98309387 Zr 4.46177622 4.41413158 2.89707300 29.47129712 37.43970510 28.73521180 Ni 4.40938640 2.81573811 4.28877715 32.76580823 24.18252639 12.65174973 Ni 2.79596609 4.30160481 4.45639257 43.52399922 0.31783415 58.25432579