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:Z:I:1:forces:R:3 energy=116.666386274 pbc="F F F" Zr -0.16593988 0.43422795 0.41506771 40 -48.62611325 -27.94206693 -39.27924610 Zr 0.82623522 0.98896057 1.24786368 40 18.37832536 6.44201044 26.74711245 Zr 1.91529852 1.83907096 -0.15614522 40 7.23728442 10.26583411 -17.70236287 Zr 3.79313629 3.55294439 0.76994484 40 -10.93014346 -18.76091489 9.07967183 Zr 2.46179051 0.63887311 1.61872748 40 30.27472918 -11.73018516 11.09349404 Zr 3.35761187 2.03459947 3.69294075 40 -3.52815707 -5.15536314 -9.37039603 Zr 0.31148548 2.29501545 2.29814022 40 -9.34601736 19.94327506 16.39393887 Zr 1.48360583 3.86189524 4.10434808 40 8.43036470 -4.39350393 -2.66479265 Zr 5.58102177 -0.03575149 0.06507303 40 -2.42925067 -0.07881718 -2.77719012 Zr 7.07370791 1.86427786 1.73112696 40 -7.50486401 -5.29054432 2.80485543 Zr 7.93036764 2.77318051 0.49499783 40 -32.37236523 -42.49876270 -104.13569248 Zr 8.39286596 3.35421160 1.42116535 40 52.84688329 62.35537304 83.19638787 Zr 7.05815073 0.08071817 1.95705476 40 2.66552464 -23.81844741 4.83568682 Zr 8.99549720 1.48780597 4.37542779 40 4.38658525 -2.27995533 -1.57115924 Zr 5.32115461 2.35297878 2.66012443 40 -24.22244049 -7.27335292 -7.25000198 Zr 6.75931541 3.12520461 3.32683866 40 4.99568178 4.88749173 -25.43207360 Zr 0.06110662 4.14740290 -0.00863670 40 -0.00074363 -0.28717085 -0.15614670 Zr 0.70570728 6.54030815 1.35303564 40 9.62046869 -27.51365705 -16.53994775 Zr 3.41069249 7.11889036 -0.09825922 40 -1.50055507 0.56939559 -3.30557968 Zr 3.33780075 8.49736156 1.94128836 40 -2.35239483 4.37644166 0.67464090 Zr 3.09488255 5.25570521 2.46880140 40 -1.93846344 -0.34318906 -2.16479733 Zr 3.89534720 6.40441764 4.36482546 40 3.12559227 0.03357555 -3.82544982 Zr 0.17850444 7.93113249 2.16479031 40 -21.17005800 25.28848594 -0.23593578 Zr 1.20012258 8.13056706 3.73522040 40 -3.09003275 9.57735152 6.59984862 Zr 4.67420956 4.88465067 -0.07257483 40 8.11913054 10.30459909 -16.29120060 Zr 5.98624391 6.23206221 0.96830078 40 0.33513907 -10.46252943 2.71013551 Zr 7.16868085 7.46756783 0.00742955 40 6.80772237 8.40032461 -10.23492168 Zr 8.85116624 8.38130679 1.36617912 40 2.68350132 1.36993967 2.55830115 Zr 7.14634390 4.82540270 3.20172488 40 -20.40429276 9.86871432 -11.47965807 Zr 8.58895030 5.58405441 3.59216683 40 29.48447781 15.29996464 7.82987670 Zr 5.31978062 7.29415240 2.59773838 40 -7.70521336 -6.84483293 -2.22802891 Zr 6.26270000 8.61415287 3.58072992 40 4.67943202 15.74515256 4.14262544 Zr -0.06863878 0.33321154 5.47262487 40 -1.03976519 -0.54380789 -1.57897305 Zr 1.61145756 1.29245239 7.06808142 40 -17.56918239 41.59540565 -30.48619522 Zr 3.28468772 2.44501170 5.64377025 40 -45.46974639 -152.68313420 -15.92234266 Zr 3.57467618 3.40775423 5.80674320 40 47.32689869 157.21891957 28.75843098 Zr 2.24304582 0.12625387 7.69604877 40 22.20245521 -51.32023091 22.23083434 Zr 3.54635392 1.71266836 8.66217446 40 0.06221525 2.96619120 7.68788708 Zr -0.02586574 1.96914391 8.07455308 40 -13.98645939 -1.74100104 3.54107196 Zr 1.02375656 3.76236111 8.80359042 40 2.32689112 5.44125688 3.12921993 Zr 5.85030351 -0.24075592 4.52284455 40 -9.63909828 -17.21542164 -12.74502013 Zr 6.54531209 1.07747301 5.56752588 40 1.15348934 3.60053156 13.72277456 Zr 6.95573610 2.71963924 4.77360297 40 7.25737733 4.44439355 39.22644143 Zr 8.95498430 3.28253661 6.53996588 40 0.57395097 0.89393956 1.02151065 Zr 7.35502645 0.01024180 7.25930458 40 1.31436929 -5.81175915 5.52312896 Zr 9.22623384 1.02673767 8.39868255 40 2.20029831 1.24531048 1.41602238 Zr 5.44053060 2.31689414 7.59636834 40 3.63611804 -0.25781114 -3.24795237 Zr 6.41277211 4.05719846 8.90124986 40 0.79549895 0.94435362 5.11306698 Zr -0.19986683 4.81443900 4.67670380 40 -12.28156731 5.66418387 2.46763996 Zr 1.29148382 5.88983948 6.58126190 40 4.33916498 -8.77539838 -6.96882975 Zr 2.52881557 7.39234485 4.87366901 40 -7.69023917 7.58712191 16.45782887 Zr 4.01943819 8.96183660 6.29813453 40 -1.17532208 4.64162685 -0.53490393 Zr 3.04418937 5.41508680 8.39506048 40 -12.38367210 -80.53903803 4.28377182 Zr 3.29490919 6.72388604 8.34500813 40 14.08392188 79.80606362 -0.83538228 Zr 0.27207969 7.22660806 7.73185403 40 -12.72170275 -0.24415587 -5.05362675 Zr 0.98356637 8.29426088 9.20876449 40 5.50710161 9.15984204 12.38296251 Zr 5.27416165 5.23499311 4.57062319 40 9.39515205 -14.64019587 -1.26469670 Zr 6.33695499 5.57720767 6.37360118 40 -81.77261209 -6.46647180 -89.82575349 Zr 7.60814536 7.91768094 5.17009629 40 -21.62985277 -10.19576198 -15.90525558 Zr 8.87605132 8.32498047 6.18999651 40 26.57884341 8.45044851 21.67690093 Zr 7.12207137 5.57255627 7.17931416 40 93.72800228 -0.88852969 90.24060898 Zr 8.52958116 6.92803818 9.13076438 40 -0.54521203 0.15616638 -0.38205798 Zr 5.36481776 7.21475159 7.17666943 40 -2.12752971 7.17652522 3.40369868 Zr 6.20377618 9.06236069 8.81236215 40 0.60047561 0.27580083 0.44519469