108 Lattice="12.077021229015733 0.0 0.0 0.0 12.077021229015733 0.0 0.0 0.0 12.077021229015733" Properties=species:S:1:pos:R:3:forces:R:3 energy=-443.0503262461668 stress="-0.0024887272527968846 0.001229276754586517 -0.0007087949780090525 0.001229276754586517 -0.003295470278665411 0.0008708561971671566 -0.0007087949780090525 0.0008708561971671566 0.0002623795662157156" pbc="F F F" Zr 0.01166446 0.03215884 0.01371325 -0.77671979 -0.62797985 -0.72966524 Zr 2.00568273 2.01519231 0.03357186 1.98527227 0.76713422 -1.13006534 Zr 2.02690520 0.02238780 1.98819709 0.75136237 -1.04130871 0.82057801 Zr 0.03016614 1.99399492 2.01010984 -1.23901456 0.86877676 1.98998516 Cu 4.00619718 0.01147404 0.02040034 0.28648592 0.47179180 0.58004198 Cu 6.02681747 2.03096041 0.00455112 -0.08952850 0.02629458 0.74298962 Cu 6.05217015 0.02977214 2.02490284 0.26231572 0.64181174 -0.26577287 Cu 4.02163432 2.05589973 2.03563399 -0.13776175 -0.12932311 -0.63094279 Zr 8.08753482 0.03482432 0.00226939 -0.67814916 0.85190467 0.55165722 Cu 10.09695828 1.95368276 0.00784342 -0.71232977 0.17715690 0.68836152 Zr 10.05931597 0.03398811 2.01902745 -0.38519714 0.60816030 0.73115488 Cu 8.04195742 2.05629967 2.03907678 0.58149752 -0.15856515 -0.32091867 Zr 0.03569955 4.06587132 0.02947629 -0.87178934 -0.11637951 -0.71624320 Zr 1.98914416 6.05774644 0.01136648 1.47512064 -0.83214912 -1.89687997 Cu 2.01997189 3.98954276 2.03804169 0.27081376 -0.51952337 0.11800180 Zr 0.01210041 6.07823208 2.05259600 -1.95597546 -1.51099953 0.47880052 Cu 4.04536798 3.98623132 0.00268012 -0.09871823 -0.31849476 0.48011709 Zr 6.00760791 6.05951070 0.01012609 0.10220048 0.00658285 -1.16299063 Zr 6.07088590 4.05858173 1.99436116 1.11639217 -1.46347345 -1.40103299 Zr 3.99402013 6.04100260 2.01996693 -0.11418326 0.06444325 -1.72013940 Cu 8.06620811 3.98669467 0.00972220 0.42014387 -0.17790870 0.63958671 Cu 10.02977283 6.03258344 0.01741102 -0.85871995 0.14921103 0.77780283 Cu 10.07304584 4.05137738 1.96247617 -0.99396588 -0.32159513 -0.08275218 Cu 8.01687567 6.03803532 2.07021619 0.94236393 -0.11656961 -0.14015383 Zr 0.01641647 8.03475762 0.03228851 -1.55231972 0.51399545 -1.04088770 Zr 2.01940568 10.05634635 0.04490012 0.70923922 0.63856794 -0.08589376 Zr 1.99311412 8.08382421 1.98624972 1.06174768 2.09380076 0.26897162 Cu 0.01639323 10.00792440 2.05222682 0.19676159 -0.08516951 0.27084176 Cu 4.00594068 8.07684598 0.00143557 0.27419556 0.36658648 0.30274316 Zr 5.99954571 10.08190333 0.01991368 -0.34264846 -0.18411163 0.81428733 Cu 6.03426202 8.03425990 1.99185639 0.03906626 0.44232452 -0.24358285 Cu 3.98979141 10.09614703 2.01636356 0.05309392 -0.39506703 0.14696057 Zr 8.03314283 8.06922308 0.00362644 0.61045651 -0.33941165 0.43391975 Zr 10.04737341 10.07455337 0.02246116 -0.46653836 -0.23536873 0.69625832 Cu 10.09347583 8.09670486 2.01178092 -0.49041924 0.00155279 0.00449499 Cu 8.06668594 10.06660590 2.07332245 0.40663595 -0.43372728 -0.21438087 Cu 0.01769359 0.02471905 4.05810101 0.42271418 0.17309716 -0.26226658 Cu 2.00084801 2.04175194 4.00386499 -0.14822952 0.09440944 -0.59356210 Zr 2.02861589 0.01993419 6.03888343 -0.69225934 -0.98992888 0.61260123 Zr 0.01956248 2.01622141 6.04496247 -0.95993445 -0.43407930 -0.73386029 Zr 4.04004155 0.03093882 4.05938664 -0.38217120 -1.26426566 -1.53520056 Zr 6.01879586 1.95986245 4.03147085 2.17780238 0.31041794 -0.82735213 Zr 6.04248034 0.03888030 6.00647306 0.82425177 -2.06698471 0.25282593 Zr 3.99118450 2.01920077 6.05627063 -0.30210245 0.80789504 1.50719588 Cu 8.04554702 0.03608688 4.01021599 0.24584034 0.51812788 -0.32172049 Cu 10.06013614 2.03050385 4.02424703 -0.88809985 0.14150733 -0.13425244 Zr 10.07598322 0.02581579 6.02918274 -0.33650523 0.61737497 -0.48524990 Cu 8.03553319 1.97821722 6.03444478 0.66607817 0.80373191 -0.29685080 Cu 0.02516798 4.05142043 4.03323353 0.09946693 -0.31934975 -0.25995226 Zr 1.99645442 6.03579006 4.00962645 0.05157964 -0.86727482 0.83634558 Zr 2.05075906 4.03757091 6.04077384 0.60846445 -0.47245056 -0.28548046 Zr 0.01590924 5.98706588 6.03063985 -2.07795579 0.35185043 -0.48136145 Zr 4.06272657 3.99344167 3.99146539 -0.94589796 -0.79110261 0.14599058 Zr 6.00367486 6.01162366 3.98569450 0.77956822 0.41280384 0.90594078 Cu 6.06444191 4.04617774 6.03029253 0.18394227 -0.32039923 0.56214956 Cu 4.05297412 6.04154415 6.03230187 0.47004203 0.01521999 0.40342574 Cu 8.05336296 4.00821838 3.95918113 0.73315540 -0.00953107 -0.00052851 Cu 10.06840056 6.03796839 4.03900427 -0.66396316 -0.08420797 -0.00084713 Cu 10.07649782 4.02582293 6.04339503 -0.60616112 -0.43913183 0.06994563 Zr 7.99971861 6.04491730 6.01430934 0.13631976 -0.79942434 0.69107584 Zr 0.01285711 8.02766891 4.01424464 -1.18253186 1.53766128 0.33065288 Cu 2.07576687 10.09984421 3.98858246 0.00228665 -0.25990317 -0.39546941 Cu 2.01090188 8.02166218 6.03239294 -0.03422318 0.47649926 0.22517130 Zr 0.02969686 10.08543949 5.99869998 0.79601151 0.15478507 0.20274470 Zr 3.97486300 8.03547085 4.03033844 0.15660057 1.03309319 0.49218189 Zr 6.03087143 10.09941769 4.00074852 0.35277300 0.68048401 -0.46681429 Cu 6.00969027 8.02286334 6.06208191 0.39785318 0.37396770 0.81812649 Zr 3.99534548 10.05968033 6.06761389 -0.61642204 0.82490514 0.39855792 Zr 8.04444722 8.07120755 4.06109297 1.21717145 0.71947475 -0.82529598 Cu 10.04883055 10.02960695 4.01968794 -0.80001844 -0.61827806 -0.31182895 Cu 10.03425696 8.02866683 6.05698096 -0.33005257 0.38075771 0.24212336 Cu 8.05464875 10.07362419 6.07539913 0.03907349 -0.76793956 0.51035709 Cu 0.03269561 0.01001992 8.02902576 0.50187964 0.73506653 0.39611883 Cu 2.01768149 2.04358917 8.02837359 -0.05436115 -0.34137662 1.10464971 Cu 1.97966508 0.03432283 10.06765083 -0.01250694 0.66492600 -0.90054287 Cu 0.01403057 2.03712319 10.08546734 0.92285736 -0.23399688 -0.82137497 Cu 4.04803367 0.02949804 8.01763306 -0.33485566 -0.11561513 0.24274281 Zr 6.07360490 2.00237754 8.08525354 0.55075408 1.37760919 -0.71731743 Zr 6.01506847 0.01863046 10.03946474 0.22341269 -0.87667752 0.94316945 Zr 3.99921518 1.99063956 10.04655925 -1.66823522 0.29726276 0.17293352 Zr 8.02543786 0.01169342 8.04821835 1.06829370 -0.42758510 0.13657188 Cu 10.04074441 2.02681650 8.06192641 -0.73006890 0.33053359 -0.07908485 Zr 10.05676394 0.02714890 10.05946899 -0.34168506 0.86134048 -0.37237103 Cu 8.07203201 2.05040533 10.10036430 0.15422909 -0.09220658 -0.35045238 Zr 0.03464909 4.00171317 8.06626457 -1.04988947 -0.73962040 1.89346233 Zr 2.01184557 6.02533869 8.02854077 1.29222102 -0.49543490 0.82088457 Cu 2.07288773 4.00257240 10.04570374 0.08721393 0.13115056 -0.51722492 Cu 0.01597307 6.03806086 10.07287603 0.28869481 -0.06861340 -0.26159000 Cu 4.05275800 4.03964779 8.01482687 -0.08390488 0.59967061 0.30025557 Cu 6.06865240 6.02867741 8.01364936 0.06355316 -0.24757987 -0.03091607 Zr 6.07584124 4.02003933 10.04206193 0.50001376 1.21573553 0.30115452 Cu 4.02746138 6.03792663 10.02507174 -0.02864779 -0.52064191 -0.24939975 Cu 8.02398339 4.04529649 8.04536247 0.39504350 -0.29671651 -0.07516234 Zr 10.02707066 6.04583190 8.03551083 0.28152073 -0.05129712 -0.23632673 Zr 10.06795518 3.99873143 10.06017789 -0.71953082 -0.49521452 -0.15711121 Cu 8.07112542 6.04566792 10.04917658 0.00920507 0.28260121 -0.72018916 Zr 0.00579805 8.01243615 8.09228726 -1.26414984 0.47673089 -0.31034274 Cu 2.00150851 10.07568977 8.01284146 -0.01937659 -0.30226406 0.25808108 Zr 2.01144111 8.06173696 10.05262719 0.58765786 0.07351148 1.47060388 Zr 0.04568933 10.09476211 10.09716766 0.15646521 0.27464961 -0.32446493 Zr 3.99232966 8.01955740 8.02504044 0.79442924 0.15020592 -0.38254100 Cu 6.08205962 10.08213259 8.05825629 0.09775076 -0.51437900 -0.33495199 Zr 6.00599674 8.04007703 10.03397586 0.11246798 -0.56901373 0.07948579 Cu 3.97274965 10.06693946 10.07022200 0.04293351 -0.27554806 -0.74373774 Cu 8.01859486 8.03769702 8.08381121 -0.09770346 0.38199709 -0.48278294 Cu 10.02536506 10.07851910 8.03422912 -0.64208997 -0.81959700 -0.13819993 Zr 10.10400578 8.07586173 10.03513215 -0.32495074 -0.07305438 -0.10503017 Zr 8.00823763 10.07773911 10.03600929 0.06570542 0.09665851 -0.55376997