108 Lattice="12.046822300307355 0.0 0.0 0.0 12.046822300307355 0.0 0.0 0.0 12.046822300307355" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.3953789756037 stress="-0.0007905815887996812 0.00194612274446316 -0.0013447304074927354 0.00194612274446316 -0.009236370207550778 0.000732151269487646 -0.0013447304074927354 0.000732151269487646 -0.007125154347672752" free_energy=-444.3953789756037 pbc="F F F" Zr 0.03148308 0.03577790 0.01691651 0.89644870 0.31401087 0.08957652 Cu 2.07914397 1.98105529 0.01941828 -0.44666541 -0.06293904 0.14006715 Cu 2.04058724 0.05270196 1.99804917 -0.76455073 -0.03489464 0.09427708 Zr 0.01106905 2.00151278 2.04131177 0.40539696 -0.79880363 0.30084236 Zr 3.98583241 0.00090586 0.05253513 -0.61547723 -0.95236350 -0.37440721 Zr 6.00225500 2.01654425 0.01928690 0.81380003 0.68104984 -1.43084493 Cu 6.01605322 0.03740531 1.95586961 0.09720306 -0.66407982 0.21718343 Zr 4.00632004 1.96181997 1.98630547 -1.34320939 0.31775462 0.27261795 Zr 8.01713572 0.03525772 0.02857872 -0.66879741 -1.79587831 -1.04248575 Zr 10.01703356 1.99261398 0.00623800 0.90703520 0.71127531 -1.68775624 Zr 10.00780870 0.02927890 2.03758653 1.62619030 -0.91342384 0.80772199 Zr 8.01147299 2.00327397 1.98160475 -0.48027471 1.54760567 0.74112981 Zr 0.02978215 4.05239185 0.02495406 0.50196796 -0.22372755 -0.68361812 Cu 2.04554105 6.02240837 0.00970509 0.29594516 0.04404281 0.24984074 Cu 2.00578416 4.02768050 1.99531918 0.37785990 -0.03904947 -0.49985594 Zr 0.02602793 5.99978077 1.99266217 -1.57190161 -0.45585808 -0.66724661 Zr 4.04088275 4.04038259 0.02807542 -0.73228382 1.39137374 -0.31627505 Cu 6.05199125 5.97605760 0.03950956 -0.06464935 0.18042756 0.36773138 Cu 6.04665937 3.99172728 2.00165207 0.31336689 1.31394765 -0.04199869 Cu 4.03918581 5.98639464 2.01689579 0.41158041 0.27362189 -0.39630752 Cu 8.05020291 4.05259625 0.02387919 -0.26526576 0.07403055 0.07849150 Cu 10.03051311 6.00257558 0.02675870 -0.52189336 -0.00580306 0.38248133 Zr 10.04435986 3.94926556 2.01731443 0.92090618 0.18948632 -0.01733825 Zr 8.04155718 6.05580795 1.96792897 -1.10417070 -1.59518898 -1.10270577 Zr 0.02388847 7.99496595 0.03700654 -0.95904920 -0.58687220 -1.59253337 Zr 2.04484304 10.05895968 0.00951360 0.81641499 0.73060099 -1.54890832 Zr 2.01643716 7.99999844 1.95675921 2.08623819 -0.61197575 0.13803062 Zr 0.03998581 10.06619171 1.96934944 -0.87980127 1.37562822 0.87260959 Cu 4.04013393 8.00423328 0.04159181 -0.10941685 -0.57146010 0.02011462 Zr 6.00257830 10.06087340 0.00678920 0.13987206 0.08109468 -1.25221341 Zr 6.03225523 8.04550405 1.97779086 -1.47266491 -1.43716443 0.15333321 Zr 4.00596627 10.01216181 2.02302874 0.02081169 1.26329721 1.45772948 Cu 8.03815180 7.99926319 0.03651974 0.07464794 -0.09302210 -0.22126867 Zr 10.01009443 10.03590641 0.02534772 -0.23458157 -0.02061591 -0.33450513 Zr 10.06814270 8.00604006 1.99975180 1.89549433 -0.52320860 -1.29291195 Zr 8.06373236 10.00730055 2.04181553 -0.79477906 1.88876610 -0.24773865 Cu 0.00310136 0.01240970 4.02455387 0.70838146 0.54206514 -0.36328413 Cu 2.01012289 2.01639985 4.02228627 -0.28669591 -0.48158819 -0.44474963 Zr 2.00140759 0.02576478 6.09070587 -0.66087218 -1.93226257 -0.32325271 Zr 0.01405740 1.99753341 6.03450039 -2.08096545 -1.00903062 -0.92821448 Zr 3.98324202 0.00861747 4.03180406 0.25580609 -1.73857986 -0.39793495 Zr 6.05079913 2.00886009 3.99528633 1.08973492 0.46062683 0.81413024 Cu 6.06793137 0.00038037 6.04611752 0.14600461 0.66595693 0.54824993 Zr 4.00302668 2.04201146 6.05524087 1.82083328 -0.44012365 1.21288261 Zr 8.01165722 0.03461207 4.00457183 -0.45338173 -1.30430855 0.84653745 Cu 10.01042778 1.99942657 4.01229287 -0.45162747 0.37323504 0.59778437 Zr 10.06908158 0.03423207 6.02143724 -0.44122974 0.67661341 0.36092608 Cu 8.04391253 1.98021699 6.04092229 0.04684475 0.34280170 0.56178915 Zr 0.00114925 4.03790480 3.93918462 -1.35336226 -0.69297260 0.13242559 Zr 2.02959516 6.01035305 3.96341100 1.87744540 0.76454323 0.38181183 Zr 2.03942003 4.00591073 6.06195420 1.08196476 0.41593268 -0.54283510 Zr 0.02522413 5.99999575 6.03281135 -2.20881047 0.65004676 -0.23837902 Zr 4.04125071 4.02250620 4.03718656 0.50990863 1.15226961 -0.95962050 Cu 6.02061197 6.00858629 4.03063240 0.03383621 -0.16024783 0.38547018 Cu 5.99548200 4.01169447 5.98342705 0.79189616 0.50866146 0.87473680 Cu 4.05369893 6.08187417 6.02121182 0.58586299 0.01145275 -0.07150604 Cu 8.06486381 3.99913782 4.04704208 -0.32676348 0.09722915 0.74369663 Zr 10.05931802 6.01767271 4.01345107 1.11998225 -1.32081017 1.37977327 Cu 10.00762703 4.02492837 6.03391876 -0.93367547 -0.15185239 0.27999095 Cu 8.04191046 5.98835451 6.04145293 -0.28748201 -0.31663956 0.40502300 Zr 0.01135510 8.03076951 3.99911838 -1.37404717 0.75830839 0.59094264 Cu 1.97335511 10.01011631 4.01146519 0.31699111 -0.24530727 0.18113750 Cu 1.98567331 8.02751681 6.03532826 0.77248848 0.59907351 -0.41760422 Zr 0.00366914 10.00728695 6.06378373 0.54614835 0.62435798 -0.25225889 Cu 3.98435227 8.03855245 4.01917477 0.56368595 -0.22590525 0.60426289 Cu 6.02369474 10.04933674 4.01025525 0.12620258 -0.46239107 0.27282813 Cu 6.03278887 8.02305276 6.00768841 0.38964467 -0.01312262 0.25838285 Zr 4.08186862 10.05931087 6.00489507 -0.22480996 0.02653394 -0.46364455 Zr 8.04492635 8.03906370 4.03721636 -2.09755743 0.16820464 1.88736496 Zr 10.07476644 10.06892199 4.00024694 0.74908686 1.14434295 0.62715866 Zr 10.01930598 8.02346712 6.01932441 0.37986519 0.27053432 2.27346752 Cu 7.97988501 10.07612457 6.03443061 -0.21640777 -0.74603107 0.15962528 Cu 0.00573259 0.02873635 8.02321419 0.18984432 0.40640250 0.33382663 Zr 2.02016606 1.99380714 8.02047535 -0.30750571 -0.70248273 1.29177576 Zr 2.01213528 0.01111152 10.00572089 -0.60996986 -0.50372526 -0.16138131 Cu 0.02474825 2.00811593 9.99982974 0.41413741 -0.29967339 -0.41058951 Cu 4.00554550 0.01341221 7.96222768 0.86548433 0.10256796 0.36984979 Cu 5.98432611 1.99840054 8.02542664 0.75568171 -0.05816431 0.21817812 Cu 6.06135533 0.02014071 10.00807169 0.01098686 0.92147027 -0.89972988 Zr 4.01113930 2.00778560 10.02377397 2.02467685 -0.07923509 0.24774833 Cu 8.03784437 0.00554026 8.02408993 0.18116733 1.17909992 0.15404855 Cu 10.04889238 1.95759220 8.03325964 -1.25086605 0.11402986 0.31058787 Cu 10.00938972 0.02891100 10.07866982 -0.82477766 0.84793665 -1.06420856 Cu 8.09177529 1.97204437 10.04977477 -0.14475437 -0.01314127 -1.31382379 Zr 0.02834850 4.00208227 8.03971339 -2.71258789 -0.02098698 1.51352199 Zr 2.01315286 6.05542731 8.01759341 1.34668845 0.63185635 1.01820669 Zr 2.02166200 4.05029479 10.06925798 -0.17226006 0.53329913 1.47215135 Cu 0.01555711 6.07844092 10.06040512 0.49544454 0.09429365 -0.55575224 Cu 4.03000421 3.98256969 8.07407641 1.18640669 0.95406062 0.00717024 Cu 6.01279643 6.03373978 7.99248829 0.32874703 -0.38931935 0.13787365 Cu 6.01598270 4.04008591 10.00151120 0.27361229 0.12881963 -0.96332877 Cu 4.01471646 5.98143748 10.00132129 0.42148658 0.15147990 -0.51663070 Cu 8.04130802 4.01886267 8.06412766 0.13988344 -0.09588186 0.09707606 Cu 10.01403838 6.00180264 8.05339392 -1.07694471 -0.16066006 0.08503380 Cu 10.01601682 3.97281643 10.03113222 -1.08084822 0.16197991 -1.10289447 Cu 8.00379890 6.04766741 10.04670326 0.28224849 -0.28660773 -1.14626204 Zr 0.01254452 8.03395515 7.99433010 -0.34586409 0.68549479 1.72754702 Cu 2.01733157 10.02272069 8.02182989 -0.23749064 -0.54425500 0.35509361 Cu 1.97562896 8.03842216 10.03486285 0.03147533 0.07440410 -0.43097787 Cu 0.00963289 10.03242535 10.06895866 0.83356277 -0.69412272 -0.92201398 Zr 4.01704537 8.06303269 8.01536156 -0.18201950 -0.74282025 -0.42365923 Cu 6.00279341 10.01119216 8.09632170 0.55717582 -0.49886140 -0.30415585 Zr 6.02198084 8.02112107 10.00771093 1.49491036 -0.68687606 0.32305973 Zr 4.03149114 9.99939032 10.01609498 -0.83323414 0.69788473 0.09629800 Cu 7.99438009 8.05440324 8.01071095 0.09509958 -0.02718386 0.08846464 Cu 10.06067422 10.06385804 8.03827760 -0.92960471 -0.94985812 0.04798193 Zr 10.04621118 8.03791177 10.04524197 -1.41415306 -0.04327844 -1.41518904 Cu 7.98348745 10.04776681 10.03320845 0.10748666 -0.89124826 -0.87487000