108 Lattice="12.044442833420606 0.0 0.0 0.0 12.044442833420606 0.0 0.0 0.0 12.044442833420606" Properties=species:S:1:pos:R:3:forces:R:3 energy=-479.46966599867477 stress="-0.002577686065638312 0.0018037208613786177 0.0034690984040925176 0.0018037208613786177 -0.004661744344338925 0.0023776383283753313 0.0034690984040925176 0.0023776383283753313 -0.006104064967197387" free_energy=-479.46966599867477 pbc="F F F" Zr 0.03506543 0.01642673 0.02545739 0.78800862 0.79912967 1.07953949 Zr 2.02054902 2.03570424 0.00779855 -0.41860555 -1.61310844 -0.27524499 Cu 2.00831842 0.03715583 2.04920085 -0.11097402 0.54371585 -0.28562361 Cu 0.02716004 1.98477399 1.98376997 0.35320057 -0.44022600 -0.27072861 Cu 4.06166644 0.02846115 0.02782029 0.01108546 1.05014957 0.97237050 Cu 6.01486103 2.02122418 0.01359841 -0.04735200 -0.31521698 0.93582559 Cu 6.07165054 0.01540517 1.99582661 -0.01512124 1.03356625 -0.12005519 Cu 4.00516712 1.98585444 2.03927605 0.50074687 -0.38676416 -0.09780291 Cu 8.06930674 0.03386910 0.00308391 0.09050384 1.10142865 1.09340091 Zr 10.06720227 2.03135048 0.00920023 -0.54491308 -1.19892676 0.32335234 Cu 10.01362561 0.01314440 2.00828977 -0.93463995 0.94415269 -0.09898144 Cu 8.00835889 2.00687227 2.02972035 -0.14122068 -0.50131718 -0.18258672 Cu 0.01529243 3.98961422 0.00290312 0.47110990 -0.08567082 0.50229691 Zr 1.99167493 6.05195480 0.01327451 0.04244248 1.20738913 -0.87535184 Zr 2.02310147 3.99395374 2.00912881 0.61621866 -0.53369574 -0.18079245 Zr 0.00450581 5.99591508 1.98351769 -1.57392115 1.38189307 -0.70098247 Zr 3.97906441 4.05720122 0.01442344 1.98115110 -0.11005329 -0.30655641 Cu 6.01029561 6.03109254 0.00212772 -0.12321535 -0.11651458 0.64077888 Cu 5.99333426 3.96004892 1.93556497 -0.06765046 -0.07791143 0.14695501 Cu 3.99585797 6.04807827 2.04688789 0.05873486 -0.08246250 -0.31546152 Zr 8.01050108 4.00114068 0.02475980 -1.54772942 -0.28139619 -0.30124958 Zr 10.00088156 6.04780444 0.00813134 0.70378408 -0.18780085 -0.76038089 Zr 10.01121775 4.00072120 1.99971223 1.10197159 -0.85733180 0.32891327 Cu 8.05016536 5.95679659 2.04474602 -0.30047499 0.05802794 -0.30531406 Cu 0.00223975 7.96268099 0.02107989 0.78072404 0.30335076 0.68231843 Zr 2.01975837 10.03151286 0.00685777 -0.50630338 -1.03816149 0.72299548 Cu 2.02573414 7.99473982 1.99653164 -0.23842938 0.33539180 -0.27491068 Cu 0.00279043 10.06372989 2.01547984 1.02383709 -0.89900340 -0.11093462 Cu 4.00957129 8.10164734 0.00279739 -0.15917536 -0.13133210 0.50750803 Zr 6.05087281 10.07061784 0.03677946 -0.69665594 0.77933776 -1.43482566 Zr 6.05595531 7.99180629 2.02448683 -1.25863347 -1.69731136 -1.69845117 Zr 4.03623330 10.03995589 2.02390464 -1.19314288 0.99487037 -0.96770009 Zr 7.97883173 8.00570006 0.03877681 0.41224021 -0.46982047 -1.74094631 Cu 10.04762449 10.07512694 0.00140687 -0.63312858 -0.64689137 0.59624321 Zr 10.07075863 8.03399572 2.00809549 1.51748226 0.75208474 -0.25035352 Zr 8.00484484 10.05004666 2.03899491 1.80051278 2.56856095 -0.59440928 Zr 0.03185964 0.03834405 3.97759093 0.44341090 0.40742238 -0.04338873 Zr 2.04376671 1.99946015 4.00395115 0.88423942 -1.07028642 0.82120155 Cu 1.99885656 0.03365165 6.01927810 -0.03651916 0.57930877 -0.06425559 Cu 0.02440856 2.05502781 6.01712652 0.47503841 -0.27669797 -0.04143977 Cu 4.00018859 0.00624648 3.95918542 0.11287157 0.88925045 -0.01120888 Cu 6.03750891 2.02417279 4.03752119 -0.37917107 -0.20011289 -0.20969229 Cu 5.97451177 0.00785442 5.98767475 -0.14505214 0.77944205 -0.02025083 Cu 3.96759967 2.02525858 5.98401793 0.34145393 -0.20272140 -0.05952645 Zr 8.06165569 0.00957871 3.99802632 -0.02835865 0.19399104 -0.67897938 Cu 10.07596625 1.96520235 4.03292822 -0.62868468 -0.19988891 -0.05938018 Cu 10.02967549 0.01767953 5.98229404 -0.64854580 0.67172883 -0.04530266 Zr 8.00606135 1.98776994 6.01740267 0.03059019 -0.52790113 -0.27307192 Zr 0.01828395 4.02637418 4.00229861 -1.82709465 -1.52718685 0.74573536 Zr 1.97875200 5.99285475 4.03116699 0.58647444 1.01247723 -0.20749852 Cu 2.02901785 4.06205357 6.03939160 -0.01524869 -0.36476659 -0.00479376 Zr 0.01754591 6.02130875 6.02166456 -0.42492160 1.22726851 0.83490363 Cu 3.98876072 4.03326665 4.02512346 0.36719762 -0.32509423 -0.01325641 Zr 6.00933821 6.05364018 3.99202399 -0.39287943 -1.81957385 -0.38840150 Cu 6.06081910 4.00873890 6.01994462 -0.56443887 -0.42945041 -0.24733548 Zr 3.97473406 6.03722735 5.99491451 -0.24781214 -0.20460065 1.10313889 Zr 8.06051657 4.01613940 4.04021099 -0.93857322 -1.61319025 -0.80566521 Zr 10.01478451 6.00721515 4.05269914 1.92817227 -0.61842003 -0.31145044 Cu 9.98992295 3.97580610 6.07623369 -0.01325737 -0.25039461 -0.07682618 Zr 8.01595537 6.00128782 6.05648063 -0.72449725 -0.17635423 -0.55417617 Cu 0.01524323 8.09809596 3.98072649 0.56472632 0.11343219 -0.00492108 Zr 1.98409473 10.00135473 4.07982474 -2.04819701 0.37287419 -0.35546310 Cu 2.02806361 8.01888105 6.04244723 -0.49576535 0.15708183 0.42532844 Cu 0.03045748 10.03533744 5.98474602 0.73388994 -0.82931369 0.10104995 Zr 3.98846907 8.02973469 4.04887879 -0.71098251 -0.42149337 -0.34947904 Zr 6.05608976 10.01034033 4.04196906 -0.57845822 2.08767775 0.66688844 Cu 6.01194479 8.05615540 6.01797769 -0.05473517 0.03183187 0.44209012 Zr 4.00839728 10.03975293 6.01443084 0.39011971 0.50580817 1.68904805 Zr 8.04517054 8.09447362 3.98396503 0.45863890 -0.67224874 0.49522384 Cu 10.06969696 10.06755886 4.00750424 -0.40891408 -0.38683881 0.02116679 Zr 10.03135442 8.00870069 5.99150155 2.29513192 1.62655282 0.30333420 Zr 8.00571929 10.06805584 6.01365599 0.36945893 1.42879213 1.07035114 Cu 0.02641277 0.02270460 8.04515260 0.85840048 0.76325811 0.14284817 Zr 1.95417033 1.98298446 7.97875298 0.18700188 -1.02495363 0.00916469 Zr 1.98035410 0.03512278 10.06112543 -0.02983587 0.70338844 -0.76589785 Cu 0.02871953 1.97141036 10.03398250 0.81255569 -0.17801420 -0.70381627 Cu 4.03374769 0.00373182 7.99829789 0.08536189 0.82235460 0.16298415 Cu 6.00085235 2.01898455 8.03655842 -0.25148560 -0.48916601 0.01120324 Zr 6.01521930 0.01135903 10.00863044 -0.37395137 0.98063972 -0.71422482 Cu 3.95375399 2.02729797 10.03571254 -0.00109156 -0.35221004 -0.55890114 Zr 8.05722430 0.06300857 8.02644235 0.37137227 -0.27982657 0.65393160 Cu 9.99991165 2.00153660 8.01220650 -0.40520171 -0.14546285 0.21230558 Cu 10.01440341 0.03726557 10.04804053 -0.93924198 0.81824453 -0.87538240 Cu 8.04187967 1.97581390 10.00987070 0.16132748 -0.32081613 -0.52104654 Zr 0.04511151 4.01940055 8.04467961 -0.15407101 0.15142855 0.74384185 Cu 1.99615452 5.99680044 7.97827984 -0.18452595 0.26712045 0.27256696 Cu 2.04354335 4.02277654 10.05861164 -0.23173701 -0.05384471 -0.58222255 Cu 0.03993255 5.96961271 10.02023070 0.87165509 0.03190710 -0.82031627 Zr 4.03566162 4.01158820 8.02383243 -0.96198362 -1.61454776 -0.59998691 Zr 6.02201073 5.98343162 8.04274050 -1.05024004 1.10989784 -1.39832766 Zr 6.05915717 3.99502307 10.04659156 -0.18281043 -1.92081233 1.78913645 Zr 3.99807226 6.02708683 10.02229294 -1.38974254 0.12572329 1.01376412 Zr 7.99488456 4.00536901 7.98806590 0.46510557 -2.44271190 0.03947481 Zr 10.01713975 5.99937682 8.06655701 2.97347163 -0.66977642 -0.84076766 Zr 10.05038159 4.03769057 10.05083502 0.46352030 -1.33848577 0.54138425 Zr 8.06542589 6.05438048 9.99784494 -0.12952960 -0.46772306 3.06869510 Cu 0.01643901 8.03453544 7.98609978 0.77407141 0.05073612 0.12359527 Zr 1.96741881 10.01805115 8.09135757 -0.65120104 -0.07375948 -0.00891332 Zr 2.01613743 8.05906217 10.06644815 -0.82990653 0.08071131 -0.16791846 Cu 0.00358739 10.01480054 10.07448531 0.80217585 -0.69623098 -0.71487490 Cu 4.01202655 8.07929721 8.02572536 -0.04504136 0.10442148 -0.00862349 Cu 6.02341313 10.03664836 8.06660008 -0.12014126 -0.59086402 0.05952209 Zr 6.04296957 8.01565883 10.02367043 -0.88864292 2.15878096 1.01557697 Cu 3.97765433 10.03625074 10.06981152 -0.01040806 -0.70345740 -0.74594473 Zr 8.05589661 8.02113582 8.05017609 -0.69357695 2.77865064 -0.23245544 Cu 10.03716792 10.03261903 8.07128032 -0.59968438 -0.56697976 0.07637780 Zr 10.04492003 8.00318526 10.03957816 0.83217370 1.49098648 0.77991513 Cu 8.02583053 10.02220174 10.07570941 0.05408268 -0.65914406 -0.73321872