108 Lattice="11.96183209025464 0.0 0.0 0.0 11.96183209025464 0.0 0.0 0.0 11.96183209025464" Properties=species:S:1:pos:R:3:forces:R:3 energy=-483.1330513329594 stress="-0.008502484096478287 -0.0007626981793832483 -0.002249062141481231 -0.0007626981793832483 -0.0067820273364589964 -0.0004648561510225207 -0.002249062141481231 -0.0004648561510225207 0.00013443176774906727" free_energy=-483.1330513329594 pbc="F F F" Cu 0.02121838 0.00158278 0.02324410 0.53310992 0.52563317 0.49102588 Zr 2.05771617 1.98879633 0.01703924 -0.42691660 1.46748429 -0.91179691 Zr 2.00465216 0.02767519 1.98345767 -0.67136995 -1.10413690 0.74053904 Zr 0.02795664 1.96847699 1.99385574 -0.77568119 0.75855823 0.36331357 Zr 3.96491013 0.00110241 0.01393376 0.80392450 -0.78193196 -0.29556838 Zr 5.97001565 2.03018648 0.01126835 -0.94794111 -0.33337883 -0.64094781 Cu 5.94211324 0.05547956 1.96844037 0.06196135 0.17963583 -0.11523899 Cu 4.02976439 1.96771847 1.99062218 -0.11234953 0.48526761 0.10977834 Cu 7.99424831 0.02754405 0.01905342 0.07045401 0.60125593 0.66242500 Cu 10.00734692 1.99013795 0.00241755 -0.57733784 -0.16187858 0.52828493 Zr 9.99413453 0.02478897 1.97845496 0.12563573 0.28906823 -0.46554737 Zr 7.94439748 2.03005055 1.95823838 0.45080866 -0.83701165 0.32201080 Cu 0.03813453 4.02075266 0.02063406 0.85860617 0.09673636 0.85011375 Cu 1.99217018 5.91646277 0.01961148 -0.17498666 -0.03972470 0.93493146 Cu 1.99119536 3.94241981 2.02574487 0.04337570 0.17343038 -0.09002769 Cu 0.03396715 6.01455842 2.02727167 0.75179440 0.04357437 -0.28324648 Cu 3.95356943 3.97267833 0.02260534 -0.05361658 0.19396634 0.77264912 Zr 6.01461524 5.98463459 0.03336730 -2.04929054 -1.27788089 -1.48627933 Cu 6.00240217 3.95945876 1.97886707 -0.62593675 0.29946564 0.43584627 Cu 3.92686164 5.99232721 1.99152564 -0.09764380 -0.25795147 0.04612188 Zr 7.94932134 4.01615648 0.00219013 0.45704893 -0.75902237 -2.07872865 Zr 10.00367123 6.00307156 0.03622814 1.85016405 -0.37187369 -1.59438669 Zr 9.95034745 3.95100215 2.01714139 1.84868300 -0.59339259 1.16498254 Zr 7.97864552 5.99333127 2.01049260 -0.36136849 -1.02198732 3.14082298 Zr 0.02377233 7.98811696 0.03265355 1.05626742 -0.19729747 0.87153176 Cu 1.99815468 10.00183632 0.00246400 -0.20124820 -0.79624557 0.84190917 Cu 2.00587080 7.99284964 2.04513968 -0.19261642 0.20730670 -0.11978254 Zr 0.03263472 9.96309771 1.96871940 1.01051625 -0.82640227 0.18657396 Zr 3.98646421 8.02533566 0.01290797 -2.21362246 -0.21449083 -0.19191200 Zr 5.94437777 9.94526108 0.03169096 -0.52358605 1.58238907 -0.94717007 Zr 6.00066294 7.93160864 1.98746567 -1.83490842 0.54054328 3.02299413 Cu 4.01581128 9.97126848 2.05847317 -0.24702962 -0.63778014 0.18781408 Zr 8.03843159 7.95025764 0.03117980 -0.15415460 0.56439158 -3.00848171 Zr 9.97724288 9.96787975 0.02087163 0.83826604 0.77226206 -0.76445413 Zr 9.99222549 7.99104222 2.02459076 2.02333478 -0.48410449 1.40232348 Zr 7.98608814 9.99648266 1.95783488 -0.60882339 1.96412219 1.49406851 Cu 0.00732648 0.00838300 3.98273877 0.45002749 0.48013532 -0.05569883 Cu 2.01154809 1.99994950 4.02557441 0.12920404 0.29754501 -0.43313155 Zr 1.97433363 0.03249823 5.94666522 0.19232742 -1.46560733 -1.17203077 Zr 0.03693346 1.99863575 5.97493592 -2.55273323 0.51020549 -1.60108757 Zr 4.00742891 0.02434730 4.00144174 0.47983463 -0.60171396 -0.05214648 Zr 5.94852504 1.97898776 4.00023866 -0.29572392 1.42699161 0.63424271 Cu 6.02233796 0.03672645 6.04691391 0.09946338 0.61373186 0.20119316 Cu 4.01430389 1.99270068 5.94579589 0.17424988 0.14260741 0.06640360 Zr 7.99263685 0.03235267 3.97863643 0.32144859 -0.83335556 1.10434035 Cu 9.96947213 1.95182879 4.02887600 -0.50960105 -0.06469589 0.19853436 Cu 9.97110744 0.01857596 5.99744273 -0.79339021 0.81558252 -0.01088420 Cu 7.93987106 2.02281056 5.99994830 0.01408523 -0.30307693 -0.07053623 Cu 0.00963892 3.97320921 3.94488862 0.53407136 0.09826604 -0.16501532 Zr 1.97896815 5.98279792 3.98913579 -0.70900264 0.01318187 -1.87639704 Zr 1.96194136 3.95904109 5.99485096 -0.48830251 0.76371203 -1.17430279 Cu 0.01685281 5.96749484 6.01991302 0.36764420 -0.09597816 0.00703163 Cu 3.92336174 3.98791600 4.02613254 0.26896053 -0.19834556 -0.35542011 Cu 5.99907656 5.98445313 4.04392676 -0.00320639 -0.33566480 -0.13528227 Cu 6.00443060 3.98253694 5.92297759 0.15658711 -0.07410960 -0.12685724 Zr 4.03024718 5.98421007 6.01596157 0.10842648 -0.76311557 -2.03971145 Cu 7.97594497 3.98792980 3.98114643 -0.12577172 0.07594713 0.39891042 Cu 9.95594791 5.93760904 3.95492755 -0.55463705 0.15264693 0.40704563 Zr 9.96035019 3.97916280 5.99086353 0.24697293 0.53122431 -1.23855884 Cu 7.96134697 5.92785066 5.97555155 0.20629083 0.18649419 -0.25723070 Cu 0.01302247 8.00324106 3.97718600 0.64116404 0.20496035 -0.15624664 Cu 1.98740085 10.00070220 4.01406745 -0.10818779 -0.88523823 -0.13269429 Zr 1.97746198 7.96941399 6.01687911 -0.72454935 1.48487258 -1.05974927 Cu 0.02345899 9.93426116 5.96336849 0.69644378 -0.61466996 -0.11223733 Cu 3.94588069 7.97331519 3.99674129 0.08666050 0.35878926 -0.29515379 Cu 5.98092546 9.97458343 4.05677527 -0.05191768 -0.61611865 0.01280724 Zr 5.98723874 7.94599769 6.01057530 1.64465918 1.16940600 -2.16822645 Cu 4.00355123 9.92880107 5.94999843 -0.10981486 -0.38565875 -0.21267351 Cu 7.92642272 8.04774787 3.97856162 0.16202418 -0.14170326 0.54539960 Zr 9.94512335 9.90449133 3.97370071 -0.00486740 0.14111891 1.51710191 Cu 9.97628926 7.90631056 6.03135431 -0.97913175 0.07883125 0.05252132 Cu 7.99158853 10.00074149 5.99326521 0.20282684 -0.78697202 -0.00954554 Zr 0.00178646 0.00191583 7.98931265 -0.90446298 -1.51482074 0.61610680 Zr 1.92646826 2.02590486 7.93556605 0.53260492 -0.45960104 0.81843637 Cu 1.97103280 0.00905498 10.00516270 0.02678096 0.38190814 -0.40734413 Zr 0.00827871 1.94369007 9.97889374 -0.70871686 0.11528384 0.81701280 Zr 3.96381084 0.00173838 7.99118556 0.85025236 -0.87628016 -0.35802526 Cu 5.95639255 2.01639229 7.95360666 0.32867908 -0.24448762 -0.11938684 Zr 5.98051089 0.00376780 9.98694461 1.02186680 0.33728933 -0.36708418 Zr 3.96437622 2.02319534 9.97574183 1.01360318 -0.65595439 1.60441227 Cu 7.99203451 0.00223052 8.01193740 0.03914124 0.85343727 0.12160360 Zr 9.94055263 1.99367299 7.99003735 0.22833718 -1.74079760 0.71572181 Cu 9.93000866 0.02639220 9.96284782 -0.87600956 0.86136971 -0.88215375 Cu 7.95948595 1.99250569 10.00597942 0.04213234 -0.25606034 -0.70134353 Cu 0.01980650 4.00305546 8.00688392 0.14197235 0.29870337 -0.05743622 Cu 2.02995001 5.99937178 7.96433994 -0.34715121 -0.24541532 0.14874979 Zr 2.01949739 3.97839524 9.97574522 -0.50212821 1.47322739 1.24409634 Zr 0.01588393 6.00572751 9.92436851 -0.80226613 -0.83241671 0.30817362 Zr 3.97799328 3.99369301 7.93562343 1.41217595 -0.36559866 0.19900605 Zr 5.96449850 5.98075294 8.01391307 1.26467433 -0.37774082 0.82755225 Cu 5.93531267 3.93115074 9.92691302 0.20195984 -0.05090098 -0.24472245 Cu 3.99060752 5.96638054 9.95485448 0.03795194 0.00680352 -0.20809199 Zr 8.00123407 3.94768067 7.97404460 -0.86671092 -0.42342032 0.13467098 Cu 9.95640851 5.98225643 7.95205144 -0.50773688 0.21210836 -0.08933676 Cu 9.93080431 3.93557869 9.92848838 -0.46243996 0.02673189 -0.46097283 Zr 8.02630451 5.99634532 9.93524471 0.13776890 -0.02312814 0.92516198 Zr 0.00661542 7.98756444 8.00164885 -1.32941563 0.34123776 -1.27845080 Cu 1.98161530 9.96117525 7.96121326 -0.05189832 -0.08401616 -0.08514509 Zr 1.95401043 7.99835917 9.97051383 0.72732615 -0.30368349 1.31388793 Zr 0.02894464 9.99129038 9.94222886 0.04664912 0.46954919 -0.06417633 Zr 3.99954409 7.96476502 8.00765020 -0.81110718 0.62818139 0.92252837 Zr 6.00271807 9.97299275 8.00873500 0.59031232 1.04694739 -0.51054176 Cu 6.01446973 7.97658431 9.91842649 0.07848231 0.07476671 -0.09386632 Zr 3.93813031 10.00585445 9.98833568 0.08654150 0.60499532 0.48969837 Cu 7.97049088 7.96046406 7.95175000 0.58754638 0.20347701 -0.06913675 Cu 9.97239056 9.93012744 7.93043570 -0.96341444 -0.93889733 0.01612266 Zr 9.93896946 7.95695225 9.99664150 0.16831885 0.44200999 -0.84467386 Zr 7.93583817 9.97659946 9.98254506 0.46232250 -0.41363312 -0.19225877