108 Lattice="13.30364134143406 0.0 0.0 0.0 13.30364134143406 0.0 0.0 0.0 13.30364134143406" Properties=species:S:1:pos:R:3:forces:R:3 energy=-138.36625401974246 stress="-0.0019484420436246678 -0.00010707749038335826 -6.892139619781525e-05 -0.00010707749038335826 -0.0020086615504018813 -0.0001872191797366676 -6.892139619781525e-05 -0.0001872191797366676 -0.001967334379188566" pbc="F F F" Mg 0.02831859 0.00761850 0.02383043 0.20796804 0.23249840 0.23937685 Mg 2.22748674 2.18337186 0.01659249 -0.15783345 -0.02147273 -0.19737145 Mg 2.18643062 0.04206550 2.25834128 -0.05083819 -0.24258409 -0.16624108 Mg 0.00458369 2.25443302 2.22412934 -0.12477746 -0.08737752 -0.04468440 Mg 4.46926126 0.05768391 0.01149927 -0.03317508 -0.00920762 0.05291734 Mg 6.69060423 2.22908500 0.01992404 -0.02860980 -0.05648575 -0.15841040 Mg 6.63097820 0.01253975 2.26007778 0.12000933 -0.16092867 -0.11289665 Mg 4.41633779 2.17923100 2.20270826 0.08800186 0.11798443 0.08572588 Mg 8.85530292 0.00405193 0.03543652 0.03356280 0.11917930 0.14423264 Mg 11.05185184 2.21930970 0.00393950 -0.12631525 -0.04636763 0.12392569 Mg 11.06144954 0.01139463 2.24326706 -0.08893526 0.09832844 -0.12924185 Mg 8.87945030 2.23983078 2.19991050 0.05655865 -0.07192121 -0.03478889 Mg 0.02897326 4.45945815 0.01514197 0.10187068 -0.03949880 0.07438209 Mg 2.21426220 6.69190639 0.03947736 0.00812799 -0.02450171 -0.22624412 Mg 2.25029672 4.41758409 2.19550438 -0.18211170 -0.06799677 0.05278153 Mg 0.04097717 6.63478959 2.24714915 -0.23355171 0.07350588 -0.09712115 Mg 4.41605836 4.39034052 0.03173436 0.07358532 0.05354056 -0.23907227 Mg 6.64298530 6.66547275 0.00478347 -0.04459170 -0.02760725 -0.12989077 Mg 6.66409143 4.42060328 2.24460374 -0.06825638 0.03915608 -0.09199761 Mg 4.42085376 6.60854334 2.20616188 0.07126610 0.23873575 0.03623393 Mg 8.86258598 4.46471455 0.00453987 0.06772500 -0.06008596 -0.21096102 Mg 11.09796033 6.64752385 0.00611826 -0.04021282 0.01812369 0.04426085 Mg 11.11059142 4.44545102 2.18056047 0.11029013 -0.08322752 0.01698951 Mg 8.87917792 6.61910069 2.17520366 -0.03176021 0.13207189 0.16286040 Mg 0.03192723 8.91288219 0.03494176 0.01938532 -0.06579158 0.03402382 Mg 2.18708158 11.09824614 0.03130604 0.06943206 -0.07365724 0.04816986 Mg 2.18589186 8.90297647 2.19148089 0.15135620 -0.05570501 0.08895419 Mg 0.03535633 11.07132523 2.18830168 0.00254659 0.01991257 0.02836048 Mg 4.47285333 8.92690930 0.01718015 -0.09348905 -0.01732984 -0.17800076 Mg 6.73048501 11.10998553 0.01589876 -0.03653674 -0.10108728 0.05277836 Mg 6.61533617 8.90311012 2.21757010 0.16604875 -0.17029778 0.00734125 Mg 4.44595331 11.08539195 2.21021841 -0.07226949 0.21766890 -0.08673966 Mg 8.89434095 8.82767377 0.00461081 -0.00310331 0.12087961 -0.13874922 Mg 11.05878145 11.05802805 0.01591488 -0.19653345 -0.20417315 0.17719858 Mg 11.09485419 8.86857262 2.19866581 0.07957923 0.05588855 0.03935518 Mg 8.88294749 11.08939396 2.17654068 0.06802241 0.06467980 0.09150427 Mg 0.01052188 0.01063787 4.43646373 0.05509749 0.08439103 -0.00386112 Mg 2.25033722 2.18594587 4.46968442 -0.16512648 0.16016369 -0.15953995 Mg 2.23299594 0.03434509 6.65024114 -0.07116311 -0.22611267 0.08367786 Mg 0.00182022 2.23481438 6.60805807 -0.15157987 -0.09245388 0.08493118 Mg 4.41609815 0.00394275 4.41034537 0.06825536 -0.17725918 0.09726536 Mg 6.67573560 2.24470447 4.40881841 -0.12680216 -0.07481218 0.11521777 Mg 6.62578660 0.01448267 6.65869333 0.09617764 -0.10579131 -0.07358253 Mg 4.40170903 2.26195708 6.63831229 0.19475193 -0.09096898 0.00779567 Mg 8.91117472 0.04284769 4.43210605 -0.10164306 -0.20965286 0.07075596 Mg 11.04913805 2.18967193 4.40488373 0.22855148 0.11986515 0.10446788 Mg 11.08045968 0.02004124 6.69389051 -0.11088144 0.13640875 0.00617537 Mg 8.85759867 2.25089899 6.68373549 0.16691244 -0.17674970 -0.04767264 Mg 0.00174760 4.45007184 4.44776304 -0.15020268 -0.12235967 -0.10217157 Mg 2.19685090 6.62116177 4.41578369 0.08135284 0.23971337 0.00952361 Mg 2.22628970 4.45353421 6.61859917 0.00610391 -0.01211765 0.09782670 Mg 0.03084405 6.61482302 6.62729041 -0.20325851 0.16064757 0.03433400 Mg 4.39272519 4.46633299 4.40769834 0.18179987 -0.11735270 0.10022156 Mg 6.67087360 6.61136447 4.45945102 -0.10338380 0.10832742 -0.04371857 Mg 6.67649205 4.39191134 6.68932616 -0.21247157 0.14868951 -0.09542134 Mg 4.40171522 6.68692903 6.68057929 0.04827036 -0.09305168 -0.06979936 Mg 8.85100412 4.42906917 4.46577582 0.14872489 0.03442670 -0.09298122 Mg 11.09511787 6.61789545 4.39401473 0.06511281 0.07947064 0.05857605 Mg 11.06955569 4.47194457 6.67394897 0.20794597 -0.13425027 -0.06304177 Mg 8.85578983 6.62975020 6.71633482 0.00631576 0.13470149 -0.18702171 Mg 0.00921692 8.94619546 4.42846770 -0.14507922 -0.11563379 -0.00603389 Mg 2.23104058 11.11159921 4.40264305 -0.04543093 0.16656877 0.06411496 Mg 2.18570270 8.91329504 6.64931898 0.09838913 -0.14723417 -0.06246040 Mg 0.01282267 11.02810889 6.71137721 0.00604906 0.09603490 -0.06887958 Mg 4.40697721 8.87607553 4.44858525 -0.00068226 -0.12018497 -0.07158807 Mg 6.61165587 11.07101182 4.40008717 0.09780822 0.18845238 0.05802445 Mg 6.65658420 8.85816226 6.65636033 -0.04638599 -0.00724943 0.08626822 Mg 4.44224106 11.07454256 6.67155489 -0.02990231 0.16087982 -0.01277835 Mg 8.83700232 8.84146359 4.46648392 0.10947516 0.00766579 -0.18191826 Mg 11.04269137 11.06997445 4.46788236 -0.07670934 -0.06394859 -0.11058341 Mg 11.10738524 8.88241154 6.60463466 0.09559788 -0.00778318 0.05530561 Mg 8.82730322 11.08521948 6.61669072 0.10407796 0.14927387 0.09445945 Mg 0.03725583 0.03759546 8.88198415 0.12976302 0.18156683 0.01915420 Mg 2.22175041 2.26023858 8.83725480 -0.12185776 -0.22282615 0.13854380 Mg 2.20708416 0.01087198 11.07664112 -0.02325168 0.16577781 -0.17789529 Mg 0.03402126 2.25018921 11.12392199 0.15487584 -0.06321076 -0.20368329 Mg 4.47714933 0.02166482 8.87065293 -0.11708679 -0.12073208 0.07218667 Mg 6.68534895 2.21018646 8.84922560 -0.11640384 0.02721315 0.18601354 Mg 6.69091639 0.02013273 11.09006728 -0.05277653 0.08635158 -0.07420570 Mg 4.39796325 2.19910713 11.08444368 0.08343439 -0.06969957 0.13108328 Mg 8.89763267 0.03586656 8.92229393 0.02951660 -0.22432499 -0.08611775 Mg 11.08614159 2.24349394 8.91966956 0.16152403 -0.04819397 -0.04416239 Mg 11.08467270 0.04091625 11.08959059 -0.17444655 0.17907723 -0.18434267 Mg 8.88603444 2.19119654 11.08531604 0.03093589 0.14322911 0.19101852 Mg 0.03025019 4.42613483 8.83576326 -0.17559878 0.00051207 0.13862778 Mg 2.20286837 6.67573743 8.89530356 0.04325067 -0.08107679 -0.01045419 Mg 2.23183367 4.41429547 11.09214958 -0.09017414 0.09562266 0.15621597 Mg 0.00579133 6.66576299 11.06287704 0.07430220 -0.04028081 -0.07551765 Mg 4.40063942 4.40902058 8.87922035 0.08011167 0.09775737 -0.02914880 Mg 6.61197656 6.61769373 8.87597103 0.05330602 0.14858377 -0.02376224 Mg 6.61245992 4.43830074 11.09475864 0.08784456 -0.13150714 0.11957643 Mg 4.47141577 6.65831745 11.11072928 -0.11316076 0.02591776 0.13541338 Mg 8.87931221 4.46860191 8.87073199 0.00313779 -0.16794474 0.17373351 Mg 11.07076626 6.67496155 8.83942030 0.25837575 0.06934619 0.17398402 Mg 11.12674141 4.46856572 11.05996983 -0.14276418 -0.01003049 -0.08327095 Mg 8.84819078 6.63383891 11.04520494 0.12330002 0.07253962 0.18988517 Mg 0.01070643 8.84810872 8.83029987 -0.19602022 0.05680327 0.23848743 Mg 2.21341794 11.04407792 8.88575427 -0.05877641 0.21724461 0.15308192 Mg 2.21193880 8.85180057 11.11607971 -0.09235988 0.12475176 0.13121306 Mg 0.00913296 11.11356098 11.10022280 0.27590764 -0.30383162 -0.28705145 Mg 4.40481698 8.87181654 8.89490001 0.12259016 0.06131436 0.05914428 Mg 6.65250494 11.10612579 8.86345820 0.00418007 0.04606893 0.13861528 Mg 6.69544681 8.87166277 11.09854861 -0.04210339 0.12098404 0.03580077 Mg 4.39942661 11.10171962 11.12137492 0.04495924 -0.17258386 -0.16030560 Mg 8.93616290 8.89650019 8.86065976 -0.13461197 0.06852506 0.11156058 Mg 11.09739589 11.06125866 8.87912467 -0.16919719 -0.12991541 0.01543870 Mg 11.08442185 8.89541580 11.12807562 -0.21552743 0.00363969 -0.19880432 Mg 8.85630001 11.12376302 11.09858484 0.06629913 -0.20223119 -0.20490527