108 Lattice="13.303632524605433 0.0 0.0 0.0 13.303632524605433 0.0 0.0 0.0 13.303632524605433" Properties=species:S:1:pos:R:3:forces:R:3 energy=-138.2178642749865 stress="-1.4155754704050967 -0.13805030843566168 -0.4916740519939484 -0.13805030843566168 -1.8560604415240682 -0.02211057205533784 -0.4916740519939484 -0.02211057205533784 -1.5555579240970427" pbc="F F F" Mg -0.02609900 0.03587756 0.02321791 0.26141132 0.25209172 0.24578801 Mg 2.23660780 2.22421047 0.02665842 -0.05787457 -0.09413438 -0.23656585 Mg 2.21203995 0.03882927 2.22964666 -0.13128965 -0.28542063 -0.11385102 Mg 0.02789724 2.25294481 2.20761519 -0.27902083 -0.19868191 -0.08657577 Mg 4.44845795 0.02123343 0.00599244 -0.08517827 0.02107108 0.03795606 Mg 6.62351449 2.18774094 -0.02843710 0.13504913 0.06046381 -0.08106084 Mg 6.62785958 0.02479960 2.17490157 0.11038887 -0.16975662 0.05680962 Mg 4.40287037 2.18288134 2.23122248 0.13162095 0.23235559 -0.03632286 Mg 8.89679209 -0.02766958 -0.01422462 0.03235163 0.22468130 0.20998390 Mg 11.11726956 2.20224817 -0.00914534 -0.24278879 -0.06685259 0.22463602 Mg 11.06720243 -0.04289595 2.25745516 -0.18702562 0.22175949 -0.06996959 Mg 8.86135384 2.18738628 2.22031222 0.05327367 -0.03974397 -0.19796360 Mg 0.04030515 4.40017938 -0.02617309 0.03399046 0.05097411 0.05936386 Mg 2.25326104 6.62896289 0.02476868 -0.11180107 0.07571450 -0.22896359 Mg 2.18412194 4.43950418 2.18501760 0.19222255 0.01685255 0.10577519 Mg 0.02980570 6.65969522 2.21256142 -0.18862403 0.03530490 -0.06733846 Mg 4.47091409 4.45136444 -0.03570810 -0.05262128 -0.07818051 -0.07643381 Mg 6.68918244 6.63909121 -0.00878975 -0.08034332 0.11167214 -0.09787027 Mg 6.62326142 4.44782985 2.23051187 0.05028053 -0.13512210 -0.04419498 Mg 4.46015427 6.61742401 2.24835701 -0.09858898 0.07267243 -0.10345132 Mg 8.89189641 4.47442995 0.02680191 0.01430026 -0.19537855 -0.16832352 Mg 11.12261160 6.62461987 -0.00763428 -0.14468382 0.04113750 0.12808137 Mg 11.07781931 4.39125127 2.20646770 0.18748830 0.06886349 -0.08441836 Mg 8.86263900 6.62969981 2.22288641 0.05804423 0.15931772 -0.09606145 Mg -0.04323118 8.89725094 0.03373821 0.21519410 -0.00893680 0.13373094 Mg 2.26080054 11.05177011 0.00657089 -0.12277587 -0.08711939 0.13260454 Mg 2.24846363 8.85759745 2.15166837 -0.12044142 0.08296095 0.15237288 Mg -0.01978631 11.04704236 2.23853036 0.18411589 -0.13865775 -0.05712676 Mg 4.43992539 8.88248076 -0.02616923 0.06894515 -0.05901871 -0.10034902 Mg 6.63808949 11.04995956 -0.04056497 0.05065622 -0.06768923 0.12230485 Mg 6.61348485 8.90592402 2.25973893 0.10599630 -0.10049131 -0.33234769 Mg 4.47121266 11.11517101 2.20250104 -0.08060306 0.13908293 -0.07380211 Mg 8.85386226 8.87139877 -0.00967580 0.10208365 0.02869257 -0.06804886 Mg 11.08780883 11.06823863 0.01312545 -0.25988020 -0.24553763 0.24170015 Mg 11.08497913 8.83685515 2.17445960 0.09906766 0.12701165 -0.02554495 Mg 8.85791170 11.05647657 2.23188042 0.13031922 0.17711551 -0.16940747 Mg -0.02289643 -0.03136734 4.44382082 0.13783409 0.15942447 -0.02819520 Mg 2.17309661 2.20059466 4.39540437 0.08834562 0.05285985 0.17807780 Mg 2.22969828 0.03362768 6.65156100 -0.07739546 -0.15211112 0.03403233 Mg 0.00990647 2.19828474 6.66447041 -0.15183488 -0.02781542 -0.00331795 Mg 4.44123828 0.03978910 4.42988785 0.03274124 -0.16148770 0.06355843 Mg 6.69264742 2.26129689 4.45904758 -0.12474705 -0.10171110 -0.10694535 Mg 6.68359831 0.01768701 6.65100122 -0.15158517 -0.18304530 0.02489006 Mg 4.46164431 2.24104862 6.69140861 -0.11559569 -0.12307899 -0.13804154 Mg 8.84845776 0.00149890 4.46706861 0.10725503 -0.11190481 -0.05558917 Mg 11.04658325 2.25355399 4.41240321 0.13053368 -0.14053443 0.10706681 Mg 11.12546172 0.01508675 6.61756981 -0.20437652 0.20060827 0.04844332 Mg 8.82952037 2.26153601 6.69461516 0.27983230 -0.06464182 -0.24102780 Mg -0.01083867 4.41492385 4.40104941 -0.17993847 0.04468291 0.08955648 Mg 2.18260798 6.64762146 4.47442469 0.13172926 0.04838443 -0.26337507 Mg 2.21576660 4.44088832 6.61342411 -0.08895239 -0.12703622 0.12287875 Mg 0.04349711 6.68815272 6.63035036 -0.27940344 -0.10207766 0.12624158 Mg 4.42866554 4.45305157 4.47357896 -0.04812952 -0.09084432 -0.16896294 Mg 6.66401195 6.72537156 4.43557944 -0.01424044 -0.19948544 0.10213694 Mg 6.62405014 4.46444706 6.61801361 0.12676365 0.12395121 0.11522280 Mg 4.39860997 6.65263922 6.66340705 0.14118319 0.07575087 -0.02051968 Mg 8.85878200 4.47356565 4.39218973 0.05001660 -0.01473274 0.18349943 Mg 11.11412505 6.67104874 4.40336682 0.08900095 -0.04506163 0.00198042 Mg 11.11762085 4.46382367 6.67349454 0.05926899 -0.04289846 -0.08644475 Mg 8.89858333 6.69249492 6.67745850 -0.08184130 -0.22156073 -0.09943759 Mg -0.00649500 8.87479323 4.46206340 -0.09564580 0.06390593 -0.17041915 Mg 2.23479665 11.10330181 4.38209669 -0.05104228 0.03201422 0.04262824 Mg 2.20608840 8.85435337 6.65071141 0.07785983 0.19229723 0.01182132 Mg -0.00620852 11.05361082 6.60875083 0.15327442 -0.02844743 0.05652633 Mg 4.44839265 8.84412773 4.39462698 -0.15124274 0.14486906 0.20956684 Mg 6.65785678 11.10745841 4.40734948 -0.08776021 0.16797948 0.13757883 Mg 6.69047958 8.89826998 6.69145654 -0.22967261 -0.01894268 -0.11102220 Mg 4.39639521 11.10156628 6.69372878 0.08855953 0.05292226 -0.12438263 Mg 8.83227240 8.87817780 4.39802313 0.19814457 -0.01436020 0.07463763 Mg 11.07576812 11.04811698 4.47288598 -0.07491826 -0.09850427 -0.09726197 Mg 11.06487003 8.83267934 6.62853459 0.19293104 0.15093918 0.07459472 Mg 8.85456801 11.08813509 6.61461367 0.09512759 0.15559333 0.09575300 Mg -0.02583876 0.00599680 8.90560023 0.20634459 0.18042708 0.01378629 Mg 2.20201961 2.22319858 8.88673373 -0.18279206 -0.09783396 0.04601614 Mg 2.19294317 -0.00679627 11.10307879 -0.05081611 0.19701162 -0.16980758 Mg -0.03612549 2.19253540 11.12630278 0.21186783 0.00526092 -0.24210271 Mg 4.41566179 0.00163687 8.91362628 0.03715356 -0.10824204 -0.03116084 Mg 6.68475012 2.24644692 8.83400761 -0.16046422 -0.07464861 0.20604771 Mg 6.68901110 0.03393710 11.04454820 -0.02375113 0.10768845 -0.05038447 Mg 4.41749929 2.23226382 11.05785285 0.01474393 -0.14217181 0.18778786 Mg 8.83648226 0.04218112 8.84413173 0.28270542 -0.17355277 0.14416429 Mg 11.05505658 2.25417624 8.88470112 0.19355502 -0.20471356 0.07741456 Mg 11.11480026 -0.02450592 11.12130387 -0.32652231 0.31934179 -0.32291061 Mg 8.89802476 2.23995476 11.12829835 0.04399577 -0.08964941 0.07957170 Mg -0.03441838 4.47083052 8.84572103 -0.05861435 -0.10737452 0.07740163 Mg 2.24880881 6.62169652 8.89629115 -0.18239484 0.03714827 -0.03839006 Mg 2.19347014 4.40817341 11.09004699 -0.06994536 0.03261686 0.14273191 Mg 0.00714317 6.65211554 11.05105310 0.06961974 0.02788681 -0.07991795 Mg 4.39499990 4.39974845 8.84601221 0.08179804 0.14261715 0.04383072 Mg 6.64758711 6.66796577 8.88336706 -0.01261253 -0.09382535 -0.10646222 Mg 6.58241112 4.43693601 11.04950951 0.13094140 -0.03516478 0.18455999 Mg 4.44970059 6.69141570 11.07426003 -0.05172621 -0.10641497 0.20968127 Mg 8.86349328 4.39663893 8.86968176 0.03411215 0.23366308 0.06426894 Mg 11.12916005 6.62794193 8.88723809 0.07523474 0.06243214 0.05828561 Mg 11.10884429 4.46522416 11.09555146 -0.10354695 -0.04750709 -0.09158268 Mg 8.86486999 6.61461439 11.06726471 0.03500091 0.06860832 0.12882642 Mg 0.01443383 8.90204447 8.84301768 -0.07172028 0.05408628 0.15626991 Mg 2.25702521 11.12656500 8.88829968 -0.21176158 0.03087405 0.09621075 Mg 2.21403531 8.83732065 11.09685956 -0.10527211 0.18940064 0.09079320 Mg 0.00161306 11.07725517 11.11491770 0.28948294 -0.27590399 -0.28489835 Mg 4.40364312 8.84172170 8.86946365 0.05553121 0.18488315 -0.00187931 Mg 6.65539099 11.10545357 8.89676934 0.01118799 0.13502249 -0.00838838 Mg 6.64327258 8.90808150 11.05681503 0.06492735 -0.02676750 0.17964287 Mg 4.44481863 11.08636051 11.08823279 -0.05087584 -0.11058803 -0.09089959 Mg 8.86381168 8.84969861 8.83540392 0.17260730 0.19156019 0.25606431 Mg 11.06781671 11.10359255 8.84347967 -0.22441662 -0.22819575 0.04699849 Mg 11.05166932 8.86523071 11.06854241 -0.16065901 0.04867693 -0.17582426 Mg 8.84841658 11.06295844 11.12155603 0.09174298 -0.15162619 -0.21660985