108 Lattice="12.015198848229565 0.0 0.0 0.0 12.015198848229565 0.0 0.0 0.0 12.015198848229565" Properties=species:S:1:pos:R:3:forces:R:3 energy=-446.31886911030495 stress="-0.003528687292665055 0.0005789204282591476 0.0028876925367992442 0.0005789204282591476 -0.0034900463911532727 0.0005058577510470855 0.0028876925367992442 0.0005058577510470855 -0.00721427081175191" free_energy=-446.31886911030495 pbc="F F F" Zr 0.00277656 0.02093271 0.04174159 0.44935165 0.70260505 0.11869622 Cu 2.03754129 2.00680391 0.07361292 -0.89630896 0.14505893 -0.24045658 Zr 1.97997592 0.00300054 2.03542934 -1.43224830 -0.36073854 0.56158793 Cu 0.00551743 2.00076741 1.97931894 0.50726449 -0.25516733 0.00650885 Zr 3.96760826 0.02779307 0.01049823 -0.86213032 -1.06546618 -1.62006475 Zr 6.01023261 2.00623270 0.00680667 1.37919523 -0.27731772 -1.45282991 Zr 6.00129665 0.02926110 2.00164712 2.24255104 -1.43198869 0.69498318 Zr 4.00860817 2.03517915 2.00683197 -0.10342859 1.12076837 1.37106049 Cu 8.00812705 0.00563657 0.01910948 -0.04424305 0.51282531 0.37988790 Zr 9.98970885 2.01773910 0.02545440 0.26954865 -0.70295674 -0.94741366 Zr 9.97335145 0.03229163 1.98895901 -0.73665197 -0.62690145 0.03092643 Cu 7.98696204 2.01583570 1.97499031 -0.34647159 -0.28029958 0.77584852 Cu 0.01321082 4.00267085 0.02162194 0.61525428 -0.25861603 0.74051126 Zr 1.97460681 5.99255904 0.03235826 -0.71748062 1.50307548 -0.25601667 Zr 1.97932491 4.01543523 2.01075145 -0.87382044 -0.95287304 -0.09196748 Cu 0.01137947 5.97791962 2.01180281 0.09950458 0.40794659 -0.43549544 Zr 4.00791150 3.99842161 0.03667517 0.78479463 0.76887445 -1.52471253 Cu 5.96844658 6.00453678 0.03289007 0.12781200 0.35686273 0.91759801 Cu 5.97584286 4.01600695 2.02625808 0.44197539 0.52357998 0.44076158 Cu 3.98124009 5.96817041 2.03008601 0.91376601 0.65042604 -0.02610493 Zr 8.01375525 3.96886545 0.00436190 -1.53953758 0.88186942 -0.56641535 Zr 10.00781728 5.96864903 0.01939514 0.33144512 0.80390813 -1.03608148 Zr 10.00981239 4.03697705 1.97320498 0.79373444 -0.24863472 1.09645761 Cu 8.02948578 6.00754127 1.99364781 -1.15287141 0.28862740 -0.03707010 Cu 0.01699824 7.97889042 0.02261766 0.60979486 0.14281356 0.74384139 Zr 1.99660160 10.02488936 0.02179354 0.70429973 -0.97214298 0.36682071 Cu 2.00666175 8.00837658 2.01184812 0.43070696 0.04531007 -0.63538443 Zr 0.00535950 10.04910131 1.98616998 -0.61298567 -0.09863142 -0.39710434 Cu 3.97908587 7.97855871 0.03099968 0.41027885 0.17012533 0.92100726 Cu 5.95790208 10.02666485 0.01328316 -0.12866726 -1.12465249 1.04397144 Cu 6.02244299 7.98981355 1.99760187 -0.02713532 0.28293576 -0.33367352 Cu 3.99249494 10.03478776 2.02315907 0.24575051 -0.97167120 -0.24661573 Cu 8.04150059 7.98827518 0.00458421 -0.36436585 0.26485101 0.99746501 Cu 10.01625122 10.02350768 0.00493815 -0.71633102 -0.89178934 0.86426952 Zr 10.04471941 7.97142665 2.01986252 0.29871489 0.93969296 -1.57942620 Cu 8.04186454 10.02224496 1.96919602 -0.36802119 -0.78022866 -0.27741101 Cu 0.00835303 0.00054172 3.99169874 0.71156391 0.80522890 -0.07994185 Cu 2.01405970 1.98602190 3.99989490 -0.53863919 -0.02060241 0.39820822 Cu 2.00037872 0.00976733 5.98846047 -0.33332468 0.42161771 0.13257508 Zr 0.00002041 1.99247323 5.98467696 0.41100940 -1.39600319 0.17941192 Zr 4.01710269 0.02403600 4.03244874 0.08906818 -1.55133748 1.03863414 Cu 6.04233887 1.98913035 3.99200111 0.47282822 0.48657381 0.22745032 Cu 6.04725626 0.02283491 5.97204805 0.07062768 0.23284154 -0.08867719 Zr 3.98730932 1.93928691 6.01160733 -0.51051209 0.29467153 -0.61861132 Cu 7.99512331 0.00826586 3.96893664 -0.08780166 0.43606158 0.39784641 Zr 9.99342348 1.99037907 4.00709127 0.64639982 -0.68855399 -0.28487646 Cu 10.02962254 0.02933026 6.01807295 -0.56374068 0.63008993 0.04700179 Zr 8.04825556 2.04086652 5.97919826 -0.77969558 -0.62001687 -0.43124854 Zr 0.03229895 3.97443372 3.96717086 -1.45124241 -0.36809280 -0.42156884 Zr 2.03092306 6.03581375 3.98925613 1.82195011 -0.35216319 -0.53051462 Cu 1.97794607 3.99447996 6.02259959 0.67899321 -0.26259372 -0.41100062 Zr 0.02756087 6.00630000 6.01042043 -2.29960304 -0.08842977 0.61615342 Cu 4.02293310 4.02375280 3.98078674 0.33419203 0.08670504 0.40415800 Cu 5.98041072 5.99781138 4.04088206 -0.00295442 0.10257176 -0.28829563 Cu 5.98659224 4.02135756 6.01342049 0.45593124 0.44959712 -0.49099913 Cu 3.99613150 5.98295190 6.00683192 0.67470401 0.02273501 -0.08721435 Cu 7.98127354 3.99763891 4.03435636 -0.71465825 0.57094355 -0.35725993 Zr 10.02261370 5.96851136 4.03835824 0.53770495 0.27230638 0.72688279 Zr 10.03172841 3.97010064 6.03172706 0.42343473 0.82361194 1.54094211 Cu 8.01350372 6.04263134 6.00689630 -0.43743523 -0.39711626 0.32620520 Zr 0.03344244 7.98332362 3.98830550 -2.10015536 -0.25373960 -1.42251878 Zr 2.03035926 10.04604243 4.03807521 0.90430028 1.35150235 -1.83890453 Zr 2.01804707 8.02480825 6.00933625 1.05428499 -0.78787709 0.98439330 Zr 0.00473610 10.05052885 6.04523022 -1.61480032 0.70067024 0.48243050 Cu 3.97282825 8.02112839 3.99799244 1.14357819 -0.21561582 -0.66485642 Cu 5.97438756 10.03510140 4.00714537 0.00457737 -0.91182866 -0.34989685 Cu 5.95342608 8.03358692 5.97821893 -0.04666961 -0.74999616 -0.25183548 Zr 3.96764149 9.99162054 6.00393054 1.74744238 0.94214470 -0.76800876 Zr 8.03078376 8.02656276 4.03227022 -2.26679418 -0.68603859 -0.23979832 Zr 9.97268551 10.02479515 3.97996286 0.95737037 0.77722174 -0.00989465 Cu 10.00064287 8.00802941 6.02036306 -0.07267044 -0.18572708 0.28678966 Zr 8.03514971 9.98582851 6.01441176 -0.08947431 1.35752539 0.04169442 Cu 0.03317753 0.00038067 7.98316017 0.83491232 0.83716610 0.15847601 Cu 2.01221757 2.00863367 8.02230529 0.15560909 -1.07375265 0.18457865 Cu 2.03924931 0.03030331 9.97698010 -0.14961114 0.82196952 -0.71309838 Zr 0.03341866 2.03324292 10.04751627 -0.12608602 -1.34869826 -0.12642418 Cu 3.98293315 0.02467394 8.04134413 0.07497382 0.68042751 0.08090337 Zr 6.02900233 2.00075440 8.01377492 -0.10002515 -0.15716528 1.59751327 Cu 6.04491622 0.02241862 10.02743200 0.01368101 0.65791144 -0.57447870 Cu 3.98513122 2.01317546 9.97388808 -0.06146836 -0.40878895 -0.63900774 Zr 8.00805406 0.03716529 8.05127336 0.46394898 -0.89553457 -0.09035749 Cu 10.03348264 2.00193196 8.04378009 -0.69571293 -0.25340269 0.02434269 Zr 9.99586663 0.01624186 10.02873291 -0.28689156 1.05346204 -0.23158225 Cu 7.98511946 1.97147610 9.99897883 0.19953676 0.23738147 -0.58144256 Zr 0.00348788 3.98694525 8.01059038 -1.45393316 -0.63177578 -0.66458161 Zr 1.99492979 5.99823306 8.04991747 0.51592837 1.59043863 -0.74815573 Zr 1.97139050 3.98891905 10.03281942 0.94470317 -1.41126112 1.90943512 Zr 0.02910048 5.99649166 10.04364052 -1.00894330 1.42863597 0.85246990 Zr 4.03325727 3.99439518 8.03717703 0.30631950 0.05635513 -0.71568457 Cu 6.01879094 6.00694319 8.04036189 -0.05994357 -0.24371415 -0.87058601 Cu 5.96927190 4.02825823 9.98072092 0.56331405 -0.21738494 -0.28092279 Zr 4.03967681 5.98550326 9.98199963 0.53122874 0.96580238 1.63221801 Cu 7.96100325 4.00089821 7.96713342 0.05653901 0.22014302 0.38626578 Cu 10.01047316 5.95559635 7.96876292 -0.43822783 0.20034332 -0.09355749 Zr 10.02027475 3.96990579 9.98220958 -0.27339795 -0.81546661 -0.92504166 Zr 8.03273916 6.01879798 9.98956018 -0.49883418 -1.65283024 0.48913124 Cu 0.05169817 7.97911281 8.00573515 -0.29695518 0.25932937 0.43908239 Zr 2.03732548 10.04517903 8.01361681 -0.36748564 0.54249985 0.91055210 Cu 1.98187378 8.03220354 10.02126301 0.03499169 0.04967358 -0.25152133 Zr 0.01805112 9.98494664 9.98492550 0.24548342 -0.81685558 -0.31649427 Cu 3.97815073 8.02119295 8.00519605 0.67277679 -0.71451288 0.02223860 Zr 5.95771071 9.97389796 7.98724597 0.30845014 1.35208560 0.23873186 Zr 6.04264609 7.97888594 10.01944044 -0.10330378 0.42171259 1.29357807 Zr 3.99081237 10.02978761 9.99089709 -0.71175538 0.10395904 1.03795473 Zr 8.04537177 8.03601698 7.98984455 0.88366449 -0.65096313 -1.09838467 Cu 10.01767977 10.04958510 8.03439516 -0.65871562 -0.65825979 -0.03447305 Zr 10.01927261 8.00595607 10.04888477 0.29240467 0.50250232 -0.24342619 Cu 7.97194912 9.98360772 10.02147246 0.22999094 -0.47240028 -0.62106533