64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=186.44297362145554 stress="-1076.5060393395713 -111.95581121474345 -178.10928111368185 -111.95581121474345 -1156.0645586270252 27.234737669281458 -178.10928111368185 27.234737669281458 -993.521487353997" pbc="F F F" Zr 0.22086729 -0.01689004 -0.22903346 -6.53292872 -4.49138373 -5.24237769 Zr 1.59933616 0.93572417 0.98055861 -18.51432595 -50.13367784 32.24607979 Zr 2.14715992 2.22516294 0.23402360 -1.28359257 20.77045759 -61.59776669 Zr 2.93229823 3.31172061 1.19084223 21.87214307 32.92429611 19.67652820 Zr 1.90181109 0.14771729 3.20399864 3.56217029 -3.70961537 -3.29939956 Zr 4.35802973 1.07349581 3.45018589 -1.50326249 -41.71930157 10.81966711 Zr -0.23115740 3.20444678 3.02575960 -8.28281046 -5.44094796 -8.05556472 Zr 1.55604684 4.07636534 3.99475015 -50.56471724 158.09152056 -107.66649690 Zr 5.23975440 0.55577733 0.25284888 -8.54301884 -2.60031177 -6.18944512 Zr 6.57116719 1.00454661 1.78983070 2.67908536 1.92832973 1.73939772 Zr 7.51432400 1.93324962 -0.30384491 2.19574796 1.11665649 -4.93634016 Zr 8.42712388 3.91385061 1.22088890 11.65501889 -13.96175015 -12.27921330 Zr 7.73578848 0.29825864 3.47892573 -12.68618568 -24.55713431 -5.44490570 Zr 8.94092265 1.56606735 3.98245906 46.77044546 9.84513052 -28.82791058 Zr 4.39630707 2.63789511 2.84544830 -13.50656349 31.33931953 -23.48372033 Zr 5.96332197 3.14653243 3.64826398 22.64853987 8.67668073 9.58071654 Zr -0.27058365 4.65017747 0.17843495 -5.48416972 -10.49726707 -4.40665488 Zr 0.67994952 6.20201413 0.91957267 -9.38498524 -10.67733034 10.37932663 Zr 1.83832478 7.32454839 0.07964709 13.40484393 12.81758680 -15.38695119 Zr 3.61643991 8.32327578 1.40123177 -98.37088871 64.22056277 -66.42760592 Zr 2.95366604 4.88662246 2.71888199 -28.50829840 -11.00072604 -23.29617640 Zr 4.18297782 5.79320854 3.41313349 33.52076002 22.66019033 15.07694737 Zr 0.64061762 7.55244599 2.63905551 -4.66519067 -2.01098731 -1.62251828 Zr 1.15510351 8.81252997 4.11824152 -2.85702887 16.37627911 2.67383704 Zr 5.31463283 5.76250514 0.06533237 -10.36304372 -4.77368005 -11.22856724 Zr 6.60365422 6.12475624 1.46651109 -15.28190344 27.70942187 -14.17190798 Zr 6.78042048 8.31103882 -0.24275628 -1.26110027 1.62185347 -2.28709492 Zr 8.52629705 8.46239944 1.79309461 1.15947519 0.33400880 1.70833104 Zr 7.58087455 5.09122498 2.35935114 10.19627125 -18.34873852 30.44369051 Zr 8.73510397 6.07781524 3.65337001 10.68868769 0.95795548 5.87917799 Zr 4.66448343 7.68403127 2.11226018 95.80923916 -55.35509063 61.92918682 Zr 5.97555741 8.06281160 3.89352680 -35.03737539 16.94000971 -19.26687457 Zr 0.08650936 -0.00729735 4.79859771 -112.44802856 -94.55319521 -65.40822623 Zr 1.02951638 0.81350238 5.39348859 104.85668099 93.30061667 72.80379344 Zr 2.00297454 2.99791377 4.62151619 72.49239192 -172.03086127 97.16853953 Zr 3.75210362 3.44613179 6.76132422 -3.33405338 -10.58522386 10.52968149 Zr 2.31797163 0.38405289 7.79856259 -3.91509103 -0.86456154 -0.59040004 Zr 4.40149214 1.08701121 8.76610800 -27.71219757 -27.48123771 31.47894843 Zr 0.21739672 3.13697317 7.60739620 -44.16071216 -35.57368032 -40.10731183 Zr 1.22422232 3.91950201 8.54655608 11.05078402 4.61955736 59.35504154 Zr 4.28893760 0.22757881 5.50692713 -3.83032112 -4.11240759 4.76048947 Zr 6.48837336 1.00831489 6.43404765 -47.94468861 71.09492727 -40.45304079 Zr 7.84911873 1.81500577 5.22971067 -24.42144589 8.66836194 27.95782200 Zr 8.71562119 3.49425818 6.03735392 8.61604963 -0.52890521 -1.49973825 Zr 7.20384740 -0.14918067 7.03810700 48.03468491 -82.98658364 40.85848791 Zr 8.65919048 1.11178622 8.88925171 0.45240032 1.94990428 0.72910823 Zr 5.41452828 2.00336033 7.84575081 28.34303880 27.68905870 -21.31112615 Zr 5.85429854 4.16374031 8.74908259 2.72558662 2.17579923 2.83610564 Zr 0.28526443 4.62769123 5.10727546 -26.88476566 11.77442463 21.14770784 Zr 1.29964123 6.79720326 5.73723777 -65.15802895 -30.58863988 56.41457001 Zr 2.40122931 7.21827495 4.80335328 65.79075664 13.52628763 -61.71689189 Zr 3.61671803 8.28337470 5.87827378 8.18859530 11.55115836 5.97178830 Zr 2.36102597 4.94186987 7.87644269 26.68142733 32.10266269 -17.97080693 Zr 4.15415133 6.10762709 9.06940741 -0.84620837 3.04289979 5.46130055 Zr 0.11551939 7.75138677 7.23322464 -10.38771154 -1.24254473 3.36059628 Zr 1.70708239 9.04511937 7.95555895 5.80154742 4.47664507 3.05145721 Zr 4.22042981 4.39391917 5.19266730 5.34874902 6.03217818 -4.87686251 Zr 5.89974943 6.22892384 6.12165250 41.13760225 -79.20229456 -85.77084229 Zr 7.34497277 7.60168189 4.71375535 37.07971563 -9.04776330 20.48788296 Zr 8.67611777 8.71118706 6.38918701 1.86555224 1.22486512 3.56333856 Zr 7.99424106 5.00955443 7.05340744 -2.98722473 5.75865754 -0.12372718 Zr 8.45186979 5.93751722 8.97630385 0.95045656 3.77941494 6.12658774 Zr 5.39757659 7.11536967 7.13716159 -41.91723311 69.95335222 83.67630670 Zr 5.99623589 8.72152709 8.29927288 3.00065278 7.02481028 5.05402560