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=28.894642109992766 stress="-799.0185140823862 -16.6531454954943 -84.37444289940947 -16.6531454954943 -871.1634506219182 -91.85288729048204 -84.37444289940947 -91.85288729048204 -840.6068245408052" pbc="F F F" Zr -0.00393080 -0.02264065 0.17095038 -23.25019596 -18.27555002 -23.59167384 Zr 1.07507085 0.84696809 1.26684810 15.19526413 22.34444252 15.00223598 Zr 2.16068129 2.85760404 0.46522721 -12.92680886 -15.17943540 -8.34260372 Zr 3.50439459 4.17731292 0.96963622 6.34941272 13.61582578 14.71963131 Zr 2.30539633 -0.39679315 2.44151616 8.70119531 -9.05571437 8.69206264 Zr 3.51861796 1.85336880 3.50146850 -6.91785519 -2.96556863 3.58644331 Zr -0.07989989 2.70988817 2.23334514 -26.27093362 -16.23112270 -17.63574303 Zr 1.08168652 3.61354409 3.25203356 17.00119420 5.81685519 23.19327273 Zr 5.45631391 -0.03238056 -0.43141228 -0.61885071 0.55723630 0.39513866 Zr 6.76246425 1.56841281 1.16407746 -1.12081448 -12.09234380 4.19923920 Zr 7.63783312 2.59720718 -0.49878402 -6.35959991 -7.25311282 -25.58367297 Zr 8.61030713 3.73086833 0.74590164 17.79183330 9.83331481 2.53525640 Zr 8.29327876 -0.21672952 2.72010757 -6.45746380 -30.96412104 -3.33964655 Zr 8.65703215 1.57058173 2.93125635 8.95508448 29.56362656 1.70425728 Zr 5.32529069 2.75050972 2.41515836 -0.87257031 5.68358312 0.02562721 Zr 7.00538144 4.04863537 3.76667199 -40.03469301 -36.85449715 67.20610778 Zr -0.03269472 4.68518310 0.12973185 -12.23008033 -8.73828468 -6.82590079 Zr 1.45165187 5.91626987 0.93228237 -0.71775206 17.02903356 -25.49232940 Zr 2.49497655 7.78966064 -0.15981570 -8.71743270 -6.22988535 -13.74547980 Zr 3.65139370 8.72068896 1.23180489 3.81718255 11.56938099 8.79140458 Zr 1.97207921 5.44616489 2.59411349 0.80136784 -2.57871990 18.77269149 Zr 3.51849243 6.15515646 3.69046025 15.30969816 6.23072346 8.56428878 Zr 0.15344851 7.92594407 2.23319650 -2.52564931 -0.78798328 -0.66862489 Zr 1.93977559 9.14090109 3.32873354 1.28261250 4.80058971 -2.35832802 Zr 5.05517182 4.35442777 -0.43007360 12.11247173 1.60073659 -10.26736745 Zr 6.48187364 6.24880483 1.89183788 7.16227696 -28.93966817 0.21722243 Zr 7.28586924 7.34963249 0.24014761 -0.22562494 0.20290869 -17.14750507 Zr 8.63871345 8.73194319 1.37071400 5.81922587 6.05837564 6.04767668 Zr 7.77109014 4.48145334 2.56754574 47.27083731 19.86940227 -70.69420150 Zr 8.30695144 5.80644150 4.30374440 28.57735149 -9.83818813 4.36679539 Zr 5.50492560 7.73708792 2.17148084 -18.77040501 15.71551100 -3.64428901 Zr 6.15578280 8.94919299 3.71144420 -1.23427195 19.64504338 8.23215934 Zr -0.06965201 -0.29157590 5.39106271 -6.50918814 -6.05186578 -8.36773454 Zr 1.18039797 0.88213332 6.70906900 -0.80712008 14.65477336 -2.40926761 Zr 1.80578186 2.82548280 5.48013584 1.12030799 1.76339700 0.35195095 Zr 4.02846354 4.52746762 6.39320609 1.30489735 -6.18655813 1.19175176 Zr 2.01998724 -0.44008634 8.03568696 5.65326880 -12.44189775 10.78822221 Zr 3.57968039 1.43691114 8.36367604 -7.17802944 -3.87335512 4.14200869 Zr -0.07993774 3.40549269 7.87054360 -21.14004291 9.16414759 -19.59221270 Zr 1.21545013 2.85173281 9.07894161 20.77604491 -8.59707039 19.49835229 Zr 4.93339428 -0.02739117 4.60387024 0.34548374 -0.41882414 0.18535156 Zr 6.71366766 1.27250168 6.54368674 -22.55155522 14.30217291 -9.41381313 Zr 7.66269000 1.81183571 5.12551085 18.11269946 9.72965314 -26.59087434 Zr 8.54482210 3.94533077 6.71134477 68.36737567 -105.57164386 -25.17643593 Zr 7.23058202 -0.00599211 7.52752358 -0.50107582 -51.66533053 18.28559219 Zr 8.49859303 1.21763961 8.36643570 16.12217101 14.76267573 11.41679617 Zr 5.37008905 2.43014750 7.52698724 -6.67588244 -9.70840508 -15.79706197 Zr 5.55208164 3.81317802 8.70032774 4.71704444 24.78833077 22.47447761 Zr -0.31713080 5.02365876 4.90919424 -1.31999525 0.89825605 0.29624337 Zr 1.65296905 6.05119723 6.74566835 -31.17966575 15.26924953 -35.90273512 Zr 2.14269776 7.62884593 5.13629877 -32.44207552 -15.68922908 -23.32578443 Zr 3.42536678 8.38986266 5.99044499 32.66753690 21.47372010 20.53686871 Zr 2.70463608 5.28717801 7.71099147 12.71105969 -33.68316975 35.01669619 Zr 3.82186071 6.29171568 8.97185425 -1.92403520 -5.77719877 33.87079442 Zr 0.01239893 7.13668910 7.53992308 -21.91284518 -8.71898413 -5.79989278 Zr 0.89428026 8.55882088 8.56787185 10.90168317 15.97026986 11.36546389 Zr 5.16477821 4.28523108 4.73863542 -3.15214861 -1.06228633 -7.13122761 Zr 6.17569866 6.40059545 6.56578688 -3.35248400 3.08202071 -7.17345458 Zr 7.26412584 7.28774688 4.60924636 -10.19008294 18.04247496 7.57002236 Zr 8.46764102 8.86658000 6.28796723 -0.09417281 -0.07879769 1.13071940 Zr 7.80678639 5.10182066 7.00053342 -56.82048822 96.05175073 30.32298590 Zr 8.88456159 6.66021273 8.78965907 -0.66747448 0.99049659 -0.08674273 Zr 4.74111067 7.44081214 7.81756405 -5.44172426 12.53236369 -22.43641833 Zr 5.87678235 8.46808738 9.04364250 14.16450672 11.89646962 13.84521300