64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=186.44297362145588 stress="-0.003138501572418569 -0.00032640178196717047 -0.0005192690411477681 -0.00032640178196717047 -0.0033704506082420397 7.940156754893598e-05 -0.0005192690411477681 7.940156754893598e-05 -0.0028965641030728726" pbc="F F F" Zr 35.22086729 34.98310996 34.77096654 -6.53292872 -4.49138373 -5.24237769 Zr 36.59933616 35.93572417 35.98055861 -18.51432595 -50.13367784 32.24607979 Zr 37.14715992 37.22516294 35.23402360 -1.28359257 20.77045759 -61.59776669 Zr 37.93229823 38.31172061 36.19084223 21.87214307 32.92429611 19.67652820 Zr 36.90181109 35.14771729 38.20399864 3.56217029 -3.70961537 -3.29939956 Zr 39.35802973 36.07349581 38.45018589 -1.50326249 -41.71930157 10.81966711 Zr 34.76884260 38.20444678 38.02575960 -8.28281046 -5.44094796 -8.05556472 Zr 36.55604684 39.07636534 38.99475015 -50.56471724 158.09152056 -107.66649690 Zr 40.23975440 35.55577733 35.25284888 -8.54301884 -2.60031177 -6.18944512 Zr 41.57116719 36.00454661 36.78983070 2.67908536 1.92832973 1.73939772 Zr 42.51432400 36.93324962 34.69615509 2.19574796 1.11665649 -4.93634016 Zr 43.42712388 38.91385061 36.22088890 11.65501889 -13.96175015 -12.27921330 Zr 42.73578848 35.29825864 38.47892573 -12.68618568 -24.55713431 -5.44490570 Zr 43.94092265 36.56606735 38.98245906 46.77044546 9.84513052 -28.82791058 Zr 39.39630707 37.63789511 37.84544830 -13.50656349 31.33931953 -23.48372033 Zr 40.96332197 38.14653243 38.64826398 22.64853987 8.67668073 9.58071654 Zr 34.72941635 39.65017747 35.17843495 -5.48416972 -10.49726707 -4.40665488 Zr 35.67994952 41.20201413 35.91957267 -9.38498524 -10.67733034 10.37932663 Zr 36.83832478 42.32454839 35.07964709 13.40484393 12.81758680 -15.38695119 Zr 38.61643991 43.32327578 36.40123177 -98.37088871 64.22056277 -66.42760592 Zr 37.95366604 39.88662246 37.71888199 -28.50829840 -11.00072604 -23.29617640 Zr 39.18297782 40.79320854 38.41313349 33.52076002 22.66019033 15.07694737 Zr 35.64061762 42.55244599 37.63905551 -4.66519067 -2.01098731 -1.62251828 Zr 36.15510351 43.81252997 39.11824152 -2.85702887 16.37627911 2.67383704 Zr 40.31463283 40.76250514 35.06533237 -10.36304372 -4.77368005 -11.22856724 Zr 41.60365422 41.12475624 36.46651109 -15.28190344 27.70942187 -14.17190798 Zr 41.78042048 43.31103882 34.75724372 -1.26110027 1.62185347 -2.28709492 Zr 43.52629705 43.46239944 36.79309461 1.15947519 0.33400880 1.70833104 Zr 42.58087455 40.09122498 37.35935114 10.19627125 -18.34873852 30.44369051 Zr 43.73510397 41.07781524 38.65337001 10.68868769 0.95795548 5.87917799 Zr 39.66448343 42.68403127 37.11226018 95.80923916 -55.35509063 61.92918682 Zr 40.97555741 43.06281160 38.89352680 -35.03737539 16.94000971 -19.26687457 Zr 35.08650936 34.99270265 39.79859771 -112.44802856 -94.55319521 -65.40822623 Zr 36.02951638 35.81350238 40.39348859 104.85668099 93.30061667 72.80379344 Zr 37.00297454 37.99791377 39.62151619 72.49239192 -172.03086127 97.16853953 Zr 38.75210362 38.44613179 41.76132422 -3.33405338 -10.58522386 10.52968149 Zr 37.31797163 35.38405289 42.79856259 -3.91509103 -0.86456154 -0.59040004 Zr 39.40149214 36.08701121 43.76610800 -27.71219757 -27.48123771 31.47894843 Zr 35.21739672 38.13697317 42.60739620 -44.16071216 -35.57368032 -40.10731183 Zr 36.22422232 38.91950201 43.54655608 11.05078402 4.61955736 59.35504154 Zr 39.28893760 35.22757881 40.50692713 -3.83032112 -4.11240759 4.76048947 Zr 41.48837336 36.00831489 41.43404765 -47.94468861 71.09492727 -40.45304079 Zr 42.84911873 36.81500577 40.22971067 -24.42144589 8.66836194 27.95782200 Zr 43.71562119 38.49425818 41.03735392 8.61604963 -0.52890521 -1.49973825 Zr 42.20384740 34.85081933 42.03810700 48.03468491 -82.98658364 40.85848791 Zr 43.65919048 36.11178622 43.88925171 0.45240032 1.94990428 0.72910823 Zr 40.41452828 37.00336033 42.84575081 28.34303880 27.68905870 -21.31112615 Zr 40.85429854 39.16374031 43.74908259 2.72558662 2.17579923 2.83610564 Zr 35.28526443 39.62769123 40.10727546 -26.88476566 11.77442463 21.14770784 Zr 36.29964123 41.79720326 40.73723777 -65.15802895 -30.58863988 56.41457001 Zr 37.40122931 42.21827495 39.80335328 65.79075664 13.52628763 -61.71689189 Zr 38.61671803 43.28337470 40.87827378 8.18859530 11.55115836 5.97178830 Zr 37.36102597 39.94186987 42.87644269 26.68142733 32.10266269 -17.97080693 Zr 39.15415133 41.10762709 44.06940741 -0.84620837 3.04289979 5.46130055 Zr 35.11551939 42.75138677 42.23322464 -10.38771154 -1.24254473 3.36059628 Zr 36.70708239 44.04511937 42.95555895 5.80154742 4.47664507 3.05145721 Zr 39.22042981 39.39391917 40.19266730 5.34874902 6.03217818 -4.87686251 Zr 40.89974943 41.22892384 41.12165250 41.13760225 -79.20229456 -85.77084229 Zr 42.34497277 42.60168189 39.71375535 37.07971563 -9.04776330 20.48788296 Zr 43.67611777 43.71118706 41.38918701 1.86555224 1.22486512 3.56333856 Zr 42.99424106 40.00955443 42.05340744 -2.98722473 5.75865754 -0.12372718 Zr 43.45186979 40.93751722 43.97630385 0.95045656 3.77941494 6.12658774 Zr 40.39757659 42.11536967 42.13716159 -41.91723311 69.95335222 83.67630670 Zr 40.99623589 43.72152709 43.29927288 3.00065278 7.02481028 5.05402560