32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=559973.6012957365 stress="-36.794783926799546 2.0266659940448046 2.873756235638309 2.0266659940448046 -32.866315939117506 0.8950204598661974 2.873756235638309 0.8950204598661974 -22.849711976181073" free_energy=559973.6012957365 pbc="F F F" Zr 21.03707924 21.36206430 20.91534654 -575072.30328547 -363263.28006786 -9905.85088155 Zr 22.30162903 22.15456470 20.92717662 549225.18835503 397162.68702867 -65306.41485564 Zr 22.78772521 21.09358002 22.23064874 -38176.00517940 -78267.64758869 106502.90701547 Zr 20.98800053 22.71878532 22.73002953 -203169.83198253 -130967.54486606 -36796.77339169 Zr 24.13718055 21.22144178 21.09366934 20314.74745037 -19437.98457553 -68975.85406986 Zr 25.57037192 22.45083170 21.09302924 25545.07144188 32822.15477927 -15520.98002765 Zr 25.54912773 20.93693019 22.32923308 22410.17160636 -20915.50040670 29487.55181177 Zr 23.65245985 22.82014734 22.42726890 133579.86519417 -75646.82515699 -11681.57133988 Zr 20.94829999 23.58349510 20.87424926 -14432.13267580 19647.92199634 -12976.80318654 Zr 22.78168444 25.42170277 21.14824732 -360401.22995545 407925.34167957 -74245.62930165 Zr 22.27700326 23.70935785 22.76908157 134214.23391367 163846.42771146 -84855.46556833 Zr 21.24977816 25.24012908 22.54618929 -36440.39704101 46493.74957088 -25834.80764973 Zr 23.70506716 24.20572275 21.08289588 294975.79504621 -422728.41762000 -102475.98319749 Zr 25.43632742 25.75851024 21.13424779 4965.91511818 3961.34371477 -4689.50435154 Zr 25.50720379 24.03938281 22.68557068 18023.89556889 -72821.39473515 -47929.17228096 Zr 23.81262236 25.24207261 22.50362102 78014.03482338 58440.76217894 77560.66434604 Zr 20.93844949 21.04666253 23.87258576 -36559.36061467 -42921.22086243 -6568.05014056 Zr 22.20398492 22.36976576 24.09893048 82020.20612187 35557.96263765 -88266.68617027 Zr 22.25732429 21.28251225 25.43494992 78877.46536926 -173348.40730208 79774.97098652 Zr 21.23594196 22.62557087 25.56191716 -124481.17559860 104151.96061745 77079.00513782 Zr 24.03066981 21.34911700 24.19515584 -24451.77592638 -32177.90069738 -15414.17733698 Zr 25.59993432 22.36050635 24.23037744 26027.85774880 55067.98697382 -67078.94052441 Zr 25.71120442 20.99164948 25.35015507 12363.54379753 -57862.73486472 50286.37718916 Zr 23.81042534 22.67572660 25.67648335 51673.04019787 -61063.00595920 39955.03299750 Zr 21.31112661 24.11582226 24.10074610 -97678.25260515 -22197.39171177 48671.58447820 Zr 22.70389798 25.43354716 23.97395883 -129717.25072437 175692.08614008 4814.10402542 Zr 22.77607069 24.00184366 25.24233975 -184749.08729541 18475.90970217 204513.66707693 Zr 20.72638062 25.29200482 25.25334774 -31116.62842767 58554.45528145 57717.23668573 Zr 23.83517290 24.23207346 24.05011769 279917.67841683 -129502.84300483 -144663.69088598 Zr 25.42941757 25.48546123 23.66168099 17512.63361313 79141.49860223 52306.04409936 Zr 25.71843942 23.49023053 25.74281910 10564.18950419 21900.96497151 25040.11566666 Zr 24.08989037 25.58175379 25.41777696 16219.89802428 24278.88583312 29477.09364412