108 Lattice="12.094794903630762 0.0 0.0 0.0 12.094794903630762 0.0 0.0 0.0 12.094794903630762" Properties=species:S:1:pos:R:3:forces:R:3 energy=-431.1764507028127 stress="0.00025918428332028886 -0.0020100918762638097 -0.000544759054669933 -0.0020100918762638097 -0.006542622999329701 0.000339615688441792 -0.000544759054669933 0.000339615688441792 -0.004488563482386974" free_energy=-431.1764507028127 pbc="F F F" Zr 0.01671540 0.01055056 0.01329620 0.84359963 0.11038002 0.39809854 Cu 2.02976573 1.98580334 0.03469385 -0.02367688 0.14405839 0.59533882 Cu 2.01001246 0.00302389 2.02246278 0.03553281 0.61736322 -0.18431966 Zr 0.01934910 2.01314805 1.98421789 0.45898829 0.29893141 -0.64752770 Zr 4.05935168 0.05233864 0.01337885 -1.49296387 -0.15753301 0.04536877 Zr 6.06049948 2.03546757 0.03139440 0.56475358 0.40073836 -1.03372823 Zr 6.07660303 0.02639043 1.98983431 1.31779966 -1.53597820 -0.11049196 Cu 4.01589512 2.01239133 2.04874436 -1.15301233 0.59630936 -0.47857956 Cu 8.11941274 0.03812630 0.03074980 0.11152429 0.55057674 0.50848180 Cu 10.04451025 2.01579162 0.02366044 -0.80381198 -0.16286719 0.63684660 Zr 10.11786204 0.00094347 1.99717632 -1.18826513 1.31746905 0.42563554 Cu 8.04499511 2.01208200 2.01813465 1.16744533 -0.14820994 -0.39487724 Cu 0.00606430 4.01971552 0.01088066 0.84422097 -0.04453381 1.03435405 Cu 2.03089023 5.99288522 0.02925150 -0.46895537 -0.13149486 0.59087147 Cu 2.06164989 4.04440746 2.02556125 -0.28969399 -0.20144602 -0.34146693 Cu 0.02545239 6.08156950 2.02986665 1.02187047 -0.17103059 -0.08034221 Cu 4.06278019 4.03251374 0.02312930 -0.45640226 -0.04009832 0.50271026 Cu 6.03282933 6.05981517 0.01588880 0.12203631 -0.18292506 0.24711425 Zr 6.05768738 4.01952331 2.04052770 -0.39891890 0.38053377 -0.34267436 Zr 3.96295312 6.03338481 2.01813789 0.02642107 -0.75002670 -0.31230226 Cu 8.00937482 3.99651259 0.02242987 0.41983890 -0.01028181 0.07776951 Zr 10.07279297 6.10747616 0.03078280 0.28135256 -0.07250672 -1.19074519 Zr 10.07616810 4.01447610 2.01322487 0.48489698 -2.01201256 -0.35022445 Zr 8.03567157 6.01284971 2.03085702 -1.73083792 0.85259639 -0.46290961 Zr 0.00367960 8.04204870 0.00687993 0.29495223 -1.04826642 -0.05521343 Zr 1.97648981 10.10437338 0.01257714 0.24931477 0.80344679 -0.79810479 Cu 2.00107645 8.03129454 2.02981379 -0.87583842 -0.33609712 0.35055496 Zr 0.05393675 10.05455493 1.98745869 -0.03545964 0.00236269 1.46101281 Zr 3.97708225 8.02875834 0.03899730 0.16600824 -0.84398851 -1.11046115 Zr 6.06829545 10.06490880 0.02390712 0.36966880 0.10634052 -0.82407768 Cu 6.07816659 8.08354465 2.05114968 0.41540145 -0.81266276 -0.39445649 Zr 4.03892524 10.07409301 2.04790469 -0.76999786 1.52619572 0.12375478 Cu 8.09640139 8.03169662 0.02416247 -0.38929835 0.16854662 -0.20058304 Zr 10.07092357 10.09702191 0.02860701 -0.12406744 -0.23438291 -0.59242634 Zr 10.04029877 8.04234533 2.04037461 1.16435544 1.11256778 0.61187104 Zr 8.03981280 10.07374489 1.98259557 0.38757891 0.58970737 0.60986401 Zr 0.01675425 0.00717672 4.02839493 0.79853290 0.32436086 0.16415504 Cu 2.02899536 2.01072557 4.01200406 -0.04906915 0.00273264 0.29317666 Cu 2.08137697 0.00014284 6.05261909 -0.21330170 0.83748558 0.36188482 Cu 0.01734934 2.03178317 6.04007066 0.87880137 -0.11964592 0.08125783 Zr 4.03719002 0.01586590 4.00844293 -1.94651086 -0.60091547 -0.11293632 Zr 6.06262035 1.99684414 3.99563796 0.66102949 0.59565256 0.47182148 Zr 6.03382211 0.01697361 6.01623710 0.84506536 -1.18703145 0.91272764 Cu 4.01126920 1.97716879 6.05896955 -0.85404984 0.34282629 0.31666002 Cu 8.09168473 0.01586102 4.00329860 0.40267694 0.33703881 -0.08630045 Cu 10.05695316 2.00208737 4.08335514 -0.67820975 -0.00826676 -0.20966840 Zr 10.09985031 0.07476852 6.03281923 -0.72960133 0.00002876 -0.65886389 Cu 8.08597718 2.01841053 6.07752521 0.74645938 -0.30846399 -0.65399460 Zr 0.03858052 4.02110340 4.04210344 0.36943999 0.33504382 0.62225218 Cu 2.00645230 6.03079537 4.00170930 -0.55733469 -0.01914987 0.23604116 Cu 2.04417438 4.06901015 6.07293988 -0.27483480 -0.28366058 0.04029745 Cu 0.02182538 6.11862682 6.01720833 0.99037257 -0.16403072 0.02954827 Cu 3.99766833 3.99719918 4.03075377 -1.03001607 -0.12939495 0.11008213 Cu 6.01829164 6.07195563 4.06658513 0.41156034 -0.18024045 -0.75726889 Zr 6.08356223 4.03143861 6.04609595 -0.82376046 -0.12048338 -0.67048966 Zr 4.07145939 6.05946086 6.04119876 -1.58118750 -0.70623471 0.78704424 Cu 8.07577370 4.05749990 4.02443399 0.38000764 -0.92591271 0.25422731 Zr 10.05226536 5.98823000 4.02292095 1.30784095 0.33482847 1.55840698 Cu 10.06255380 4.05274366 6.07884674 -0.25637090 -0.78586207 -0.38951821 Zr 8.04285150 6.03729345 6.04981749 0.51612382 0.17872970 -0.99257290 Cu 0.02188795 8.05783461 4.09885269 0.85575276 -0.09778942 -0.04174577 Cu 2.04509265 10.09335615 3.96643027 -0.28064336 -0.58493228 0.28855226 Cu 2.03117683 8.06000625 6.01539989 -0.14838512 0.16907174 0.32113489 Zr 0.03133111 10.10904161 6.03580678 0.78842339 -0.34341108 -0.35339238 Zr 4.06946341 8.08100545 4.03176201 -1.56477550 0.35245825 -0.09617514 Zr 6.06801649 10.04382861 4.04422393 0.73197251 1.26526007 0.99410313 Zr 6.03004328 8.02933402 6.08621094 0.31211414 0.69893260 0.01133190 Cu 4.03364236 10.05162947 6.05693152 -0.62688037 -0.57171456 -0.07622283 Cu 8.06439000 8.07461754 4.03795674 0.25810277 0.50958666 0.55546273 Cu 10.05481792 10.05564305 4.07358321 -0.73065690 -0.61603022 -0.18578505 Cu 10.10774348 8.07160509 6.03846549 -0.64875625 0.46656368 -0.18040193 Cu 8.08315410 10.07196656 6.07798852 0.53500272 -0.54103708 -0.18596582 Cu 0.00699066 0.01752490 8.09350124 0.92118295 1.10871013 -0.04282194 Cu 2.01190968 2.04470925 8.08778820 -0.39026426 -0.24582908 -0.07138227 Zr 2.04026844 0.00844911 10.07328395 -0.44774578 0.33973640 -0.73821670 Cu 0.03152707 2.03337858 10.07784597 0.97572543 -0.11447302 -0.88757243 Cu 4.00472708 0.00493951 8.09434586 -0.51400354 0.35777444 -0.41744997 Zr 6.07982292 2.02183973 8.03362929 -0.79309451 -1.02249421 -0.77945295 Zr 6.00904000 0.01030378 10.10892585 -0.01096776 -1.20265135 0.04823597 Zr 4.05576276 2.01115051 10.06052799 -1.47611831 0.49428262 0.36552509 Cu 8.07076116 0.04044943 8.06729102 0.41860248 -0.01687873 0.10010285 Zr 10.11224329 1.99315843 8.09944396 0.92671905 -0.68844709 -0.53647548 Cu 10.06783354 0.00227577 10.04302503 -0.57250239 0.50230581 -0.60047875 Zr 8.05773872 2.03651711 10.11873968 0.58135930 -1.60567187 1.86203378 Zr 0.01738442 4.04086174 8.08382163 0.83861828 0.24577903 -0.06162930 Cu 2.01758899 6.07991501 8.00696755 -0.24925985 -0.37858713 0.26550131 Cu 1.99281984 4.00672452 10.09077636 -0.06130007 0.02529680 -0.93316882 Cu 0.03987443 6.06694094 10.10511170 0.69642241 0.03565876 -0.81412862 Cu 4.04047141 4.03327964 7.99386712 -1.22124915 0.00967993 0.38102654 Cu 6.02134256 6.02692869 8.12414118 -1.04231594 0.04352210 -0.04961725 Zr 6.01548281 4.06047661 10.06129495 -1.07628575 1.08436093 1.49469277 Cu 4.02592167 6.07943658 10.08479950 -0.32645234 -0.18088023 -0.78261474 Zr 8.06215523 4.00525488 8.07107143 0.40318746 0.08741512 -1.28613461 Zr 10.08790695 6.08893291 8.05198006 2.46887098 0.04280553 -1.21587675 Zr 10.04057476 4.03705540 10.06176363 1.74280031 0.34928955 1.74080059 Zr 8.02464983 6.06428766 10.05357751 -0.22893031 0.07170656 2.18706640 Zr 0.03743705 8.07650714 8.03900538 -0.27065182 -0.85982683 -0.44442092 Cu 2.01965523 10.09744055 8.05808665 0.13096896 -0.62090702 0.09388616 Zr 2.02749287 8.05707157 10.05443358 1.09970451 -0.16887021 0.08156062 Zr 0.01219903 10.05954545 10.09177902 0.07941480 0.35419647 -0.34044752 Cu 4.03593615 8.08125309 8.02736760 -0.88830519 0.31167137 0.20057762 Zr 6.08428281 10.11192931 8.02425478 -1.43162709 1.56325020 -0.66688433 Zr 6.04587118 8.09333905 10.04402386 -2.10114937 -0.61788323 1.27537808 Cu 4.06822335 10.10372677 10.04566856 -0.23373097 -0.53526874 -0.58199028 Zr 8.02594811 8.02941834 8.05393745 1.50842499 1.19894202 -1.25599352 Cu 10.10378460 10.08735059 8.03533760 -0.76727111 -0.71782369 0.00271512 Zr 10.08277697 8.08312157 10.11177141 1.11519774 0.50279963 0.66644862 Zr 8.02392365 10.10189202 10.07235682 0.85473105 1.10913453 0.66820482