108 Lattice="13.303641846572589 0.0 0.0 0.0 13.303641846572589 0.0 0.0 0.0 13.303641846572589" Properties=species:S:1:pos:R:3:forces:R:3 energy=-138.21786719389672 stress="-1.4144507513450684 -0.1381103911064976 -0.4914276728794622 -0.1381103911064976 -1.8552024347557534 -0.022107427502090715 -0.4914276728794622 -0.022107427502090715 -1.554384060831394" pbc="F F F" Mg -0.02609902 0.03587759 0.02321793 0.26140576 0.25208158 0.24579277 Mg 2.23660937 2.22421203 0.02665845 -0.05786000 -0.09412080 -0.23656418 Mg 2.21204150 0.03882931 2.22964822 -0.13126867 -0.28541314 -0.11387524 Mg 0.02789726 2.25294640 2.20761674 -0.27901191 -0.19867619 -0.08656973 Mg 4.44846107 0.02123345 0.00599244 -0.08519166 0.02107266 0.03796861 Mg 6.62351913 2.18774247 -0.02843713 0.13504690 0.06047001 -0.08105436 Mg 6.62786422 0.02479962 2.17490309 0.11036254 -0.16975359 0.05680981 Mg 4.40287345 2.18288286 2.23122405 0.13162725 0.23234143 -0.03629889 Mg 8.89679833 -0.02766961 -0.01422464 0.03235385 0.22466698 0.21000127 Mg 11.11727736 2.20224971 -0.00914534 -0.24277084 -0.06684448 0.22462649 Mg 11.06721018 -0.04289599 2.25745675 -0.18702348 0.22174242 -0.06998540 Mg 8.86136004 2.18738781 2.22031378 0.05326702 -0.03973433 -0.19792614 Mg 0.04030519 4.40018246 -0.02617311 0.03400832 0.05099601 0.05937313 Mg 2.25326263 6.62896753 0.02476870 -0.11179807 0.07570996 -0.22893884 Mg 2.18412346 4.43950729 2.18501913 0.19220733 0.01686082 0.10575863 Mg 0.02980573 6.65969988 2.21256297 -0.18860921 0.03530030 -0.06733610 Mg 4.47091723 4.45136757 -0.03570814 -0.05263071 -0.07818880 -0.07642806 Mg 6.68918713 6.63909586 -0.00878976 -0.08035748 0.11165658 -0.09786021 Mg 6.62326606 4.44783297 2.23051343 0.05029485 -0.13511984 -0.04423255 Mg 4.46015740 6.61742864 2.24835859 -0.09858152 0.07267155 -0.10346649 Mg 8.89190264 4.47443309 0.02680193 0.01430205 -0.19536304 -0.16831361 Mg 11.12261940 6.62462451 -0.00763429 -0.14469522 0.04113835 0.12808374 Mg 11.07782707 4.39125434 2.20646924 0.18747778 0.06887305 -0.08441635 Mg 8.86264521 6.62970445 2.22288796 0.05806943 0.15932977 -0.09607205 Mg -0.04323122 8.89725718 0.03373824 0.21521273 -0.00892523 0.13374388 Mg 2.26080213 11.05177785 0.00657090 -0.12278615 -0.08714089 0.13260081 Mg 2.24846521 8.85760365 2.15166987 -0.12046102 0.08296798 0.15238228 Mg -0.01978633 11.04705010 2.23853194 0.18411811 -0.13867526 -0.05712647 Mg 4.43992850 8.88248698 -0.02616925 0.06895817 -0.05902168 -0.10034411 Mg 6.63809414 11.04996730 -0.04056501 0.05064889 -0.06769007 0.12231686 Mg 6.61348948 8.90593027 2.25974052 0.10598911 -0.10049413 -0.33233673 Mg 4.47121580 11.11517881 2.20250258 -0.08057624 0.13906732 -0.07380956 Mg 8.85386846 8.87140498 -0.00967581 0.10210793 0.02868904 -0.06804531 Mg 11.08781660 11.06824639 0.01312546 -0.25988263 -0.24555437 0.24170761 Mg 11.08498690 8.83686134 2.17446112 0.09904699 0.12700144 -0.02554190 Mg 8.85791791 11.05648431 2.23188199 0.13029597 0.17712922 -0.16939241 Mg -0.02289645 -0.03136737 4.44382394 0.13783523 0.15942948 -0.02818573 Mg 2.17309813 2.20059620 4.39540744 0.08834321 0.05285947 0.17806645 Mg 2.22969985 0.03362771 6.65156567 -0.07739255 -0.15212134 0.03402019 Mg 0.00990648 2.19828627 6.66447508 -0.15182202 -0.02781652 -0.00331067 Mg 4.44124140 0.03978913 4.42989095 0.03274579 -0.16146653 0.06355095 Mg 6.69265212 2.26129848 4.45905070 -0.12475011 -0.10170111 -0.10696869 Mg 6.68360300 0.01768703 6.65100588 -0.15160218 -0.18303876 0.02489721 Mg 4.46164744 2.24105020 6.69141331 -0.11558309 -0.12308554 -0.13805034 Mg 8.84846396 0.00149891 4.46707175 0.10725118 -0.11189140 -0.05559855 Mg 11.04659099 2.25355558 4.41240630 0.13052412 -0.14052624 0.10707976 Mg 11.12546952 0.01508676 6.61757444 -0.20438516 0.20061794 0.04843338 Mg 8.82952655 2.26153760 6.69461986 0.27985490 -0.06462494 -0.24102099 Mg -0.01083868 4.41492694 4.40105249 -0.17994160 0.04467187 0.08953705 Mg 2.18260950 6.64762611 4.47442783 0.13172749 0.04838998 -0.26335778 Mg 2.21576815 4.44089143 6.61342874 -0.08893841 -0.12704996 0.12288409 Mg 0.04349715 6.68815741 6.63035500 -0.27937952 -0.10208470 0.12621850 Mg 4.42866864 4.45305470 4.47358210 -0.04815217 -0.09082817 -0.16893124 Mg 6.66401662 6.72537628 4.43558255 -0.01426451 -0.19947096 0.10215066 Mg 6.62405477 4.46445020 6.61801824 0.12676261 0.12394366 0.11519377 Mg 4.39861304 6.65264388 6.66341172 0.14118559 0.07575764 -0.02056415 Mg 8.85878821 4.47356879 4.39219280 0.05002293 -0.01474997 0.18351205 Mg 11.11413285 6.67105342 4.40336990 0.08897801 -0.04506933 0.00197445 Mg 11.11762865 4.46382680 6.67349922 0.05926639 -0.04289235 -0.08644651 Mg 8.89858957 6.69249961 6.67746319 -0.08183298 -0.22153678 -0.09941850 Mg -0.00649500 8.87479945 4.46206653 -0.09564525 0.06389231 -0.17040508 Mg 2.23479822 11.10330959 4.38209975 -0.05102542 0.03199699 0.04263277 Mg 2.20608994 8.85435957 6.65071607 0.07784089 0.19229692 0.01181985 Mg -0.00620852 11.05361856 6.60875545 0.15328673 -0.02844482 0.05652683 Mg 4.44839577 8.84413392 4.39463005 -0.15125332 0.14488165 0.20958505 Mg 6.65786145 11.10746620 4.40735257 -0.08775816 0.16795398 0.13757451 Mg 6.69048427 8.89827622 6.69146124 -0.22966406 -0.01892729 -0.11103415 Mg 4.39639828 11.10157406 6.69373348 0.08856773 0.05293210 -0.12438394 Mg 8.83227858 8.87818403 4.39802620 0.19817256 -0.01435126 0.07461198 Mg 11.07577588 11.04812471 4.47288912 -0.07492954 -0.09849377 -0.09726954 Mg 11.06487778 8.83268552 6.62853923 0.19292714 0.15091208 0.07459262 Mg 8.85457421 11.08814286 6.61461830 0.09513579 0.15559264 0.09576458 Mg -0.02583878 0.00599680 8.90560648 0.20634877 0.18042621 0.01377566 Mg 2.20202115 2.22320014 8.88673996 -0.18281983 -0.09784290 0.04602068 Mg 2.19294470 -0.00679628 11.10308657 -0.05080146 0.19701005 -0.16982153 Mg -0.03612552 2.19253693 11.12631059 0.21186870 0.00528486 -0.24210197 Mg 4.41566488 0.00163687 8.91363253 0.03715995 -0.10822934 -0.03115019 Mg 6.68475481 2.24644850 8.83401380 -0.16047152 -0.07466711 0.20607388 Mg 6.68901579 0.03393713 11.04455593 -0.02374593 0.10770180 -0.05038747 Mg 4.41750238 2.23226539 11.05786059 0.01473557 -0.14219672 0.18776257 Mg 8.83648845 0.04218116 8.84413792 0.28272022 -0.17354711 0.14417499 Mg 11.05506432 2.25417783 8.88470735 0.19352553 -0.20472381 0.07740993 Mg 11.11480806 -0.02450595 11.12131167 -0.32651091 0.31933770 -0.32290523 Mg 8.89803100 2.23995634 11.12830616 0.04396162 -0.08965198 0.07956771 Mg -0.03441841 4.47083366 8.84572723 -0.05863595 -0.10738238 0.07740971 Mg 2.24881040 6.62170115 8.89629739 -0.18239061 0.03719273 -0.03838527 Mg 2.19347168 4.40817650 11.09005476 -0.06996053 0.03262550 0.14272673 Mg 0.00714318 6.65212021 11.05106084 0.06963188 0.02788875 -0.07991123 Mg 4.39500297 4.39975152 8.84601841 0.08182869 0.14258869 0.04384422 Mg 6.64759177 6.66797045 8.88337329 -0.01260763 -0.09381007 -0.10643526 Mg 6.58241572 4.43693912 11.04951724 0.13096621 -0.03514518 0.18454201 Mg 4.44970371 6.69142039 11.07426778 -0.05171739 -0.10639981 0.20966822 Mg 8.86349949 4.39664200 8.86968798 0.03411224 0.23365980 0.06427560 Mg 11.12916786 6.62794657 8.88724432 0.07521150 0.06244008 0.05826415 Mg 11.10885208 4.46522730 11.09555924 -0.10354299 -0.04751994 -0.09157877 Mg 8.86487620 6.61461902 11.06727247 0.03498139 0.06857983 0.12883047 Mg 0.01443385 8.90205072 8.84302387 -0.07171877 0.05407701 0.15627049 Mg 2.25702680 11.12657281 8.88830591 -0.21173961 0.03087568 0.09618681 Mg 2.21403686 8.83732683 11.09686734 -0.10526029 0.18937844 0.09078194 Mg 0.00161306 11.07726293 11.11492550 0.28945698 -0.27589145 -0.28488037 Mg 4.40364620 8.84172789 8.86946987 0.05550096 0.18487816 -0.00184706 Mg 6.65539565 11.10546136 8.89677558 0.01117127 0.13501041 -0.00839445 Mg 6.64327723 8.90808775 11.05682278 0.06492680 -0.02677096 0.17961958 Mg 4.44482175 11.08636828 11.08824056 -0.05085542 -0.11061413 -0.09090921 Mg 8.86381789 8.84970481 8.83541011 0.17260726 0.19155453 0.25605639 Mg 11.06782447 11.10360033 8.84348586 -0.22442452 -0.22820225 0.04697948 Mg 11.05167706 8.86523692 11.06855017 -0.16065435 0.04869854 -0.17583950 Mg 8.84842278 11.06296618 11.12156383 0.09173777 -0.15162127 -0.21660576