108 Lattice="11.852656647379408 0.0 0.0 0.0 11.852656647379408 0.0 0.0 0.0 11.852656647379408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-235.18273953036194 stress="-0.0029893923836352846 0.0016617808228829342 -1.738273618891157e-05 0.0016617808228829342 -0.0037161150215748923 0.0022086946014642918 -1.738273618891157e-05 0.0022086946014642918 -0.004275880137291477" free_energy=-235.18273953036194 pbc="F F F" Cu 0.02688778 0.02468249 0.00555723 0.90753866 0.69772203 0.92172408 Cu 2.00296028 1.95329459 0.00957602 -0.12710263 -0.02142975 0.76695003 Mg 1.96987268 0.00360771 1.94258515 -0.30265173 0.01909647 -1.90804795 Cu 0.01799547 1.95888628 1.95706427 0.49232509 0.02701389 -0.35057630 Cu 3.93164474 0.01205534 0.02962531 0.00688293 0.62791514 0.59159226 Mg 5.88976095 2.01007035 0.02709444 -1.00427925 0.38527494 -1.43126276 Mg 5.93324118 0.02639972 1.96997862 -0.74404042 -1.42563858 0.03612300 Cu 3.98629466 2.01117809 2.01214527 -0.38023354 0.00910049 -0.27864034 Mg 7.86393671 0.00664041 0.02023692 0.63662585 -0.58123227 -1.25490463 Cu 9.85198123 1.99479595 0.01256314 -0.55799443 0.05365495 0.53121838 Mg 9.86665194 0.03060341 1.98258529 0.67372482 -0.67188012 -0.09055704 Mg 7.89700225 1.98739300 1.99800181 0.68679678 0.62685292 -0.25639704 Cu 0.00820499 3.96408231 0.00034870 0.84521940 0.04749645 0.78969772 Mg 1.99743803 5.94568448 0.03468661 -0.71447042 -1.41585503 -1.53152239 Mg 1.97858245 3.96626601 2.00664449 -0.15608939 -1.20596496 -1.55662759 Cu 0.02073433 5.90625077 1.91959350 0.26493335 -0.04673442 0.12432733 Cu 3.92591715 3.98122001 0.01638075 0.02667045 -0.13964738 0.38114713 Cu 5.96153540 5.91781528 0.01909206 -0.01326595 -0.05037698 0.49569339 Mg 5.91277585 3.91500409 1.99716825 0.03332497 1.51819168 -0.22295419 Mg 3.97826342 5.93293009 1.94415952 1.54001849 -0.60909024 0.18627506 Cu 7.86405925 3.95935155 0.00274495 0.13614262 0.13161699 0.55447844 Cu 9.86164635 5.93218499 0.00296335 -0.76705021 0.03212339 0.78310379 Mg 9.89153636 3.96984728 1.97284475 0.04852225 0.61242085 -1.25316277 Cu 7.83954640 5.98182623 1.93221350 0.11565411 -0.15262828 -0.00883724 Mg 0.03277442 7.88332941 0.04188651 -1.33303812 0.20628276 -0.23625955 Mg 1.99397006 9.89648852 0.03076587 -0.20132931 1.30847351 -0.25203031 Mg 2.00406365 7.92763318 1.94098778 -1.33453901 1.01352412 1.71979509 Cu 0.03228564 9.90139647 1.94215181 0.60147667 -0.63103694 0.10656823 Mg 3.94629980 7.93913410 0.03013418 1.89860514 0.48623458 -0.99850140 Cu 5.89604175 9.84578725 0.02318675 0.02847653 -0.52778546 0.59116783 Cu 5.97213367 7.90031281 1.96592432 -0.15904547 -0.08401315 -0.08656246 Cu 3.91989863 9.87813845 1.94620080 0.23684242 -0.32701218 0.18701317 Mg 7.88393401 7.91560084 0.00763658 0.42923437 -0.26659604 -0.07449831 Cu 9.84769341 9.88315676 0.01066283 -0.82202585 -0.72577959 0.70566680 Cu 9.89200283 7.85783472 1.91338661 -0.66468284 0.11282960 -0.05060169 Mg 7.87290926 9.90587975 1.99462307 1.03510772 0.42092406 -0.73855035 Mg 0.00956666 0.04727625 3.93658076 -1.11150084 -0.20818506 -0.07812019 Mg 2.00183807 2.01167469 3.95669344 -0.18609269 0.17665775 -0.93923323 Mg 1.99810902 0.01414085 5.91867791 -1.51333368 -1.56831925 0.46206852 Cu 0.02844223 1.96181978 5.91757094 0.13270244 -0.11770143 0.11432306 Mg 3.93925371 0.00229192 3.95158244 0.56245046 -1.47966476 -0.30397724 Mg 5.89563879 1.98973277 3.93550065 0.16340671 0.04925466 0.28359871 Cu 5.94361952 0.06257626 5.90449637 -0.01729804 0.10250500 0.01384575 Mg 3.93410614 1.93976435 5.89935435 0.94739688 0.64375445 -0.27024791 Cu 7.88044236 0.01475641 3.95874248 0.00725661 0.25778598 0.12354554 Mg 9.85648936 1.97593826 3.95545079 0.75889403 0.04687576 1.12828630 Cu 9.83869152 0.02486956 5.88362053 -0.52040021 0.52593855 0.03642416 Mg 7.87689894 1.94206015 5.93865367 1.20411992 -0.28362509 -0.64885467 Mg 0.01373406 3.97779124 3.97421665 -2.19467354 -0.16543845 -0.31310253 Mg 1.94052379 5.90529805 3.97802265 -0.67001322 1.17411718 0.27155904 Mg 1.91322257 3.92311248 5.89844695 0.19021501 0.81356461 0.46820185 Cu 0.03821657 5.94531223 5.93113537 0.36291883 0.20662859 0.07254023 Cu 3.94004229 4.01693049 3.99506212 0.14006316 -0.12686617 -0.14480804 Cu 5.92831115 5.89700581 3.91297895 0.08257093 0.11925759 -0.01723858 Mg 5.96153298 3.98342557 5.91347802 -0.32787597 0.66933514 -0.86075745 Mg 3.98094418 5.94920075 5.94421245 0.19406074 0.91206542 0.50313458 Cu 7.88091026 4.00321241 3.92115085 0.06267427 0.00340136 0.00915781 Mg 9.85678005 5.95049168 3.93167541 0.73806913 0.14048212 -0.11174825 Cu 9.87206814 3.93787278 5.94348817 -0.36349931 -0.07856076 -0.05807635 Mg 7.91818992 5.87207450 5.90960693 -0.29077917 0.38982984 -0.28061933 Cu 0.03733511 7.91948134 3.91288074 0.61093085 0.03142561 0.00984929 Cu 1.93694070 9.85801192 3.96687793 -0.01634784 -0.56815507 -0.10633071 Cu 1.93958571 7.89847241 5.90313116 0.00687268 0.04646081 0.08083762 Mg 0.01700200 9.90503128 5.93293535 0.47724454 -0.11522361 -0.42222801 Mg 3.95636532 7.89099423 3.90931693 0.35835546 0.48240403 0.15095164 Mg 5.94560316 9.83803009 3.97481365 -0.06507481 0.95264953 -0.04655018 Cu 5.93866086 7.89794993 5.91302476 -0.03771695 -0.19984732 0.16925620 Mg 3.96751934 9.84667736 5.90640621 -1.19292314 0.21462866 0.60267307 Mg 7.86391413 7.89563905 3.99074068 0.61019203 0.16904768 -0.16944476 Cu 9.89275735 9.85751219 3.90291262 -0.89023345 -0.81117539 -0.04934906 Cu 9.90213623 7.91420555 5.97251787 -0.54473463 0.22330816 -0.01749738 Cu 7.94916063 9.86292751 5.97153617 0.15180604 -0.54419922 -0.01852079 Cu 0.02952460 0.03780813 7.89883859 0.64579868 0.61209260 0.01764917 Mg 1.98573760 1.96628305 7.87818764 -0.89491680 -1.09204496 1.01468475 Cu 1.94820611 0.00717939 9.91387673 0.03901286 0.69164507 -0.73510834 Mg 0.01533761 1.99683120 9.91606514 -0.40379601 -1.07731151 0.43142690 Mg 3.91784108 0.02107917 7.87324799 0.26942770 -1.41991055 0.96717218 Mg 5.92197752 2.02954868 7.93721185 0.05464094 -0.20524165 0.98488738 Mg 5.88995381 0.07492838 9.88903577 0.11541334 -0.23386792 1.03357708 Cu 3.91151615 1.95240246 9.90259691 -0.04811661 0.04583916 -0.33940948 Mg 7.93331007 0.02072202 7.88489890 0.49957170 -0.71542205 -0.17112187 Cu 9.85727609 2.01999242 7.92936841 -0.43035902 0.02598353 0.01065647 Mg 9.90020102 0.02144975 9.82425514 0.03482000 0.41890021 0.04628306 Cu 7.91067744 1.98561394 9.89128677 0.12628705 0.14315731 -0.47357092 Mg 0.01134816 3.93273998 7.87041413 -1.35574468 0.51454248 -0.71416942 Cu 1.98566859 5.93722126 7.89258942 0.12317744 0.14197117 -0.11220882 Mg 2.01254982 3.96833786 9.86733133 0.93565216 0.39815420 1.25074328 Mg 0.02020624 5.89186524 9.88958673 -0.63150145 0.22738430 0.58165445 Mg 3.94812280 3.91770090 7.90114100 0.51250704 1.32470174 1.33227243 Cu 5.88984553 5.92522975 7.93633010 0.04062875 0.12941248 0.25623111 Cu 5.92760432 3.93653458 9.88344502 -0.01855489 0.08134542 -0.56808034 Cu 3.93811878 5.89970126 9.88661866 0.11368011 0.09799260 -0.68842698 Mg 7.92994328 3.94110666 7.90856217 0.57701288 0.11008281 1.88728439 Mg 9.89677182 5.91305996 7.92727638 0.94957977 0.23113518 0.84079347 Cu 9.86701309 3.98881250 9.86785122 -0.71056182 -0.00346539 -0.72365862 Cu 7.83832702 5.94328352 9.86817882 0.07570486 0.01881388 -0.65591207 Mg 0.02402295 7.93346640 7.92575050 -0.10097291 0.35273934 -0.28055735 Cu 2.00850008 9.87161642 7.91119568 0.01951918 -0.55520666 0.10043254 Mg 2.00633867 7.92003168 9.88245009 0.87007427 0.78732248 0.04411800 Cu 0.00484062 9.90773952 9.90899018 0.71289935 -0.87210816 -0.74672708 Cu 3.94301806 7.88928772 7.86944950 -0.00166894 -0.02237462 0.22744799 Mg 5.90226785 9.83583120 7.91186859 0.10040525 0.14359620 0.87482460 Cu 5.99289822 7.96453134 9.87265830 -0.04783794 -0.01007505 -0.65098899 Cu 3.96909342 9.88462698 9.85487254 0.00391095 -0.75222291 -0.74187457 Mg 7.86918261 7.87917948 7.87340403 0.54418725 0.81699747 1.04648563 Cu 9.85345474 9.84475516 7.86608421 -0.97386646 -0.99024693 0.09128324 Cu 9.87488456 7.92491516 9.89014489 -0.92345873 0.02137257 -0.98989493 Cu 7.92738828 9.85502642 9.91273555 -0.00454256 -0.92414819 -0.98379443