108 Lattice="11.976870837595023 0.0 0.0 0.0 11.976870837595023 0.0 0.0 0.0 11.976870837595023" Properties=species:S:1:pos:R:3:forces:R:3 energy=-441.5911095866122 stress="-0.003444496838932797 0.003208464418262429 0.0025314071294719295 0.003208464418262429 -0.0030036531440252147 0.004938645605064078 0.0025314071294719295 0.004938645605064078 -0.007227399729384254" free_energy=-441.5911095866122 pbc="F F F" Cu 0.00658475 0.00695386 0.00621474 0.66609754 0.64180609 0.58834882 Cu 1.93537192 2.02314151 0.04006220 0.06095392 -0.46010378 -0.26986753 Zr 2.05458390 0.00355929 1.97592916 -0.21400765 -1.83270638 -0.62617874 Zr 0.00944802 1.95676084 2.02460617 -2.01488763 -0.44191131 -1.68341467 Zr 3.99360042 0.03225048 0.03100827 0.03201853 -0.83338327 -0.91207837 Zr 5.97519803 1.98260831 0.03902858 1.53369594 0.04685035 -1.40335263 Cu 6.00436762 0.01393210 1.98576414 0.18124787 -0.09461340 0.21496492 Zr 4.02229247 2.01218935 1.98574163 0.51268835 -0.18128474 0.80699693 Cu 7.93652289 0.00399756 0.03527431 -0.11799456 0.28305985 0.40916399 Zr 10.00475631 2.01803673 0.00658246 -0.05112331 0.09992093 -1.31768953 Zr 9.96474458 0.01621049 1.97510896 -0.26596090 -0.39711521 0.95283109 Zr 7.96370329 2.01012494 2.01567573 -0.47261708 -0.37239680 0.65223968 Zr 0.01852830 4.01974604 0.00017390 -0.14124734 0.72798954 -0.45787169 Cu 1.99515680 5.95618600 0.02665900 -0.06564908 0.71127907 0.30234446 Zr 1.99654054 3.96149323 1.96755071 0.45764142 2.16294530 0.03658445 Cu 0.00419990 5.99764166 2.05253829 0.35264545 0.09491746 -0.15144407 Zr 3.99105133 4.02759883 0.03649992 0.09822555 1.27731237 -1.13273228 Cu 5.95507960 5.93361080 0.03736383 0.37591749 0.14683425 0.62045934 Cu 5.96042860 4.01832317 1.99690306 0.24156925 0.73265969 0.00501953 Cu 3.97247157 6.03135648 2.02745032 0.33309915 -0.40175707 -0.50344115 Cu 7.94686552 3.96989551 0.04351700 -0.33353805 0.29450741 -0.12639835 Zr 9.96298455 5.95272833 0.02635051 0.10530459 0.61620433 -0.78984517 Zr 9.96556476 3.96315387 1.99877885 1.27316987 -0.10935486 1.47831813 Zr 8.01170051 5.96689160 1.96737875 -0.05597381 0.20847395 -0.02048155 Zr 0.01969843 8.02113240 0.05499762 -0.72633599 -0.95757765 -0.17195845 Zr 2.02503987 9.94542209 0.04244763 0.86795524 0.55454980 0.01325171 Zr 1.98503628 7.97451499 1.98643297 -0.06939485 -0.60232708 0.87025660 Cu 0.02036035 9.94245006 1.97046008 0.49340612 -0.42012137 0.47228182 Cu 3.98977046 7.95253416 0.02496343 -0.02401762 -0.08635303 0.77966628 Cu 5.99547941 9.96481221 0.00913238 -0.18211795 -0.77060659 0.82555384 Zr 6.02858687 7.98070415 2.02362784 -0.01542021 1.70095730 -1.82426547 Cu 3.99235382 9.95979898 2.04201419 0.18139178 -0.40247962 -0.23210887 Cu 7.94572257 8.02188622 0.03463500 0.32933358 0.41582922 0.50735741 Cu 10.00035783 9.97637580 0.00583514 -0.78400473 -0.98453850 1.00555817 Cu 9.97909458 7.96245588 1.96891905 -0.99980174 0.29252349 0.13552636 Cu 8.06308229 9.94189850 1.98034543 0.13290578 -0.93176011 -0.27447602 Zr 0.00320556 0.03875430 3.98074793 -0.95063193 -1.71035774 0.71496549 Zr 2.03025056 1.99814568 4.01732196 1.92470857 -0.80703164 1.32194694 Cu 1.95986701 0.03801912 5.99314680 0.55669116 -0.17956325 -0.38965053 Zr 0.00274804 1.96245653 6.00554934 -2.25388240 -0.54368503 -0.12680882 Cu 3.92140500 0.06314679 3.97402533 0.33928017 -0.20666581 0.46842562 Zr 5.98282530 2.01808647 4.03515677 -0.66940708 -1.23378416 -0.15965180 Cu 6.00007019 0.01766422 5.97779658 0.15259983 0.60323341 -0.00454845 Cu 3.98359573 1.96050600 5.98947798 0.44543281 -0.57058754 -0.32054941 Cu 7.95657517 0.00791451 4.04051868 0.10741680 0.20162349 0.12957412 Cu 10.00986073 1.97457014 4.02066983 -0.69152492 0.01023804 -0.20801836 Zr 9.94328437 0.01694386 5.98153196 0.79983201 -0.18477341 -0.67274633 Zr 8.01591287 2.03194192 5.96902993 0.87388888 0.68259382 0.36057070 Zr 0.00231597 3.98718132 4.00325470 -2.11892528 2.01537107 -0.10873733 Cu 2.00470339 5.98102090 3.93513507 -0.31468591 0.29962494 0.26166450 Zr 1.96403829 3.98186232 5.96873705 0.73212938 1.44225321 -0.38735574 Cu 0.02646009 6.00245303 5.95938459 0.67893301 0.66441368 0.33087855 Cu 4.02009443 3.95752687 3.94369409 -0.34589156 0.87238064 -0.07167929 Zr 5.98986131 5.99662085 3.98878006 0.80609355 -0.92750867 0.01537391 Zr 5.95665909 3.98740699 5.98236913 0.94687804 -0.82170962 -0.03593088 Zr 4.00630036 5.96283403 5.99724864 -1.75857043 0.93560179 -1.13978980 Cu 7.98869011 3.99207179 3.97539300 0.78980252 0.33126139 0.39276397 Cu 9.98334376 5.99752486 3.99742390 -0.84355121 0.30275277 0.15911101 Cu 9.98635573 3.96963241 5.94608585 -0.72706149 0.06117302 -0.01691918 Cu 7.97839858 5.94932830 5.99660950 0.45704271 -0.05928307 -0.28570333 Cu 0.03297939 8.03791275 4.03040949 0.82021493 -0.18565295 -0.27029286 Cu 1.96484288 9.97666627 4.05040280 -0.03445532 -0.58237893 -0.08700112 Cu 1.96931334 8.00484066 5.97179766 -0.64499682 -0.11927501 -0.59354907 Zr 0.03655934 9.99330442 6.02697918 0.10587099 -0.74752372 -0.49067463 Zr 4.03188917 7.95823781 4.00277535 -1.06339368 1.94544889 0.88213599 Cu 5.98888233 9.99296770 3.96625623 0.47896571 -0.74516397 0.32177016 Cu 5.99185087 8.02339679 5.95598102 1.01747384 0.47142213 -0.48711864 Cu 3.99843811 9.99249720 6.01556706 -0.27742025 -0.59808403 -0.28104318 Cu 8.02622316 7.94749435 3.94481096 0.13708500 0.74331949 0.30353879 Zr 9.97261383 9.99095382 4.01828455 -0.77653490 -0.34660252 -0.73122697 Zr 9.97719277 7.98181580 6.01059682 -0.63477311 0.28045349 -0.07627528 Cu 8.01772746 10.01110989 5.96205704 0.02625363 -0.73984026 0.23448802 Zr 0.01691665 0.00416358 7.91184865 -0.38411736 -1.69323722 0.02110249 Zr 1.96325009 1.97208210 7.98134443 1.82982758 -0.49278630 0.86481036 Cu 1.93705700 0.03749014 10.01886422 0.29054801 0.30615893 -0.36514626 Zr 0.02283461 1.95512820 9.94323071 -0.29077700 0.13983503 1.42570888 Zr 3.98930070 0.04597801 7.96025223 0.70754964 -0.02902851 0.08624829 Cu 5.98046734 2.02001032 7.94661345 -0.06987955 -0.60581595 0.34898406 Cu 6.02762726 0.03944049 10.01885774 0.25467993 0.99300196 -0.72072083 Cu 3.98237433 1.98124251 9.97945037 -0.17890873 -0.18649843 -0.31433562 Zr 8.00400769 0.01424921 7.94770607 -1.31698815 -0.04307591 0.95565111 Cu 10.00831984 1.98173528 8.01588911 -0.53943978 0.31964093 0.12086553 Zr 9.94525940 0.03945636 10.01917534 -0.28667874 0.93767849 -0.46821815 Cu 7.98847779 2.02384486 9.96099462 0.12478843 -0.13325073 -0.80244720 Zr 0.00528794 3.98851156 8.00169126 -1.49505350 1.60246200 -0.14027098 Cu 2.00814938 5.95720466 7.97469208 -0.70975384 0.79993964 0.29668617 Cu 1.98532940 3.94158751 9.91176243 0.29020230 0.17230246 0.05609827 Zr 0.01663923 5.99743344 9.93805842 0.79076807 0.73384317 -0.02741957 Zr 4.01893321 4.02756755 7.95728618 -1.19161266 -2.15613929 0.88092178 Zr 5.96007023 5.97565657 8.00448563 2.58052572 1.90513796 -1.00385802 Zr 5.95150916 4.00984408 9.95739787 0.80659370 -2.51009740 1.46909264 Zr 4.02530386 5.97440228 9.97585918 -1.86700403 0.90332106 2.07069864 Cu 7.98129958 3.97967443 8.05141211 0.37704598 -0.83052115 -0.36650141 Zr 9.97592085 5.98621059 7.94567045 0.34378715 -0.25960669 -0.52449709 Zr 9.97986163 4.01020486 9.94933282 0.05466323 -1.56192918 0.19969554 Zr 7.95404762 5.98265727 9.95961647 0.30613488 1.58027063 1.25389927 Cu 0.00394753 7.99648999 7.98313313 0.90370939 -0.27677688 -0.04680613 Zr 2.01005648 10.01098837 7.98402522 -0.19041959 0.25805505 -0.57056204 Cu 2.01332557 7.96594464 9.98744652 -0.56542246 0.10093415 -0.35518401 Zr 0.03274312 9.94936841 9.98016244 0.29177069 -0.86836081 -0.36561672 Zr 3.96155039 8.00674510 7.95083084 -0.85635895 -0.00016467 -0.57095406 Zr 5.97292790 9.95104817 8.01585417 0.90874245 0.38859482 -1.41111044 Cu 5.95860579 7.95754433 9.92806933 0.52080458 0.23390247 0.22170926 Zr 4.01565628 9.96330118 10.00361179 -0.13394419 0.25556924 1.57112814 Cu 8.01546473 7.97667428 7.98063037 0.04531155 0.69614781 -0.06916861 Cu 9.94961594 10.00167505 7.97178580 -0.95724999 -0.95141862 -0.19876948 Cu 9.99419194 7.99214977 9.94726633 -0.55782665 0.01642649 -0.92608560 Zr 8.01655382 9.98542064 9.96076996 0.37791970 -1.02643812 -0.32668394