108 Lattice="13.303631150355365 0.0 0.0 0.0 13.303631150355365 0.0 0.0 0.0 13.303631150355365" Properties=species:S:1:pos:R:3:forces:R:3 energy=-138.36624448933483 stress="-0.0019490507686875246 -0.00010699479826393412 -6.878669628935366e-05 -0.00010699479826393412 -0.0020092448760637652 -0.00018718070529029728 -6.878669628935366e-05 -0.00018718070529029728 -0.0019680803596951414" pbc="F F F" Mg 0.02831856 0.00761849 0.02383041 0.20796263 0.23248810 0.23938462 Mg 2.22748504 2.18337018 0.01659248 -0.15780538 -0.02147781 -0.19741138 Mg 2.18642894 0.04206546 2.25833955 -0.05082974 -0.24258591 -0.16625138 Mg 0.00458369 2.25443129 2.22412763 -0.12480345 -0.08739653 -0.04467586 Mg 4.46925784 0.05768387 0.01149926 -0.03320368 -0.00921310 0.05290933 Mg 6.69059910 2.22908329 0.01992402 -0.02861818 -0.05647532 -0.15841562 Mg 6.63097312 0.01253974 2.26007604 0.12003128 -0.16094274 -0.11289535 Mg 4.41633441 2.17922933 2.20270657 0.08800546 0.11797715 0.08573287 Mg 8.85529614 0.00405193 0.03543649 0.03354680 0.11915721 0.14421966 Mg 11.05184338 2.21930800 0.00393950 -0.12630741 -0.04634566 0.12393063 Mg 11.06144107 0.01139462 2.24326534 -0.08891623 0.09831209 -0.12923886 Mg 8.87944350 2.23982906 2.19990882 0.05655707 -0.07188688 -0.03481150 Mg 0.02897324 4.45945473 0.01514196 0.10185494 -0.03949510 0.07437384 Mg 2.21426051 6.69190127 0.03947733 0.00812883 -0.02449893 -0.22627136 Mg 2.25029499 4.41758070 2.19550270 -0.18212559 -0.06799212 0.05280694 Mg 0.04097714 6.63478451 2.24714743 -0.23355778 0.07347943 -0.09711559 Mg 4.41605498 4.39033716 0.03173433 0.07359403 0.05354393 -0.23909193 Mg 6.64298021 6.66546764 0.00478346 -0.04460976 -0.02763462 -0.12988689 Mg 6.66408632 4.42059990 2.24460202 -0.06825406 0.03915157 -0.09199093 Mg 4.42085038 6.60853828 2.20616019 0.07128203 0.23874187 0.03624578 Mg 8.86257919 4.46471113 0.00453986 0.06773710 -0.06008753 -0.21095879 Mg 11.09795183 6.64751875 0.00611826 -0.04019828 0.01813227 0.04422870 Mg 11.11058291 4.44544762 2.18055880 0.11029086 -0.08326079 0.01699722 Mg 8.87917112 6.61909562 2.17520199 -0.03174442 0.13206534 0.16286600 Mg 0.03192720 8.91287537 0.03494173 0.01937995 -0.06578846 0.03399799 Mg 2.18707990 11.09823764 0.03130601 0.06944059 -0.07364088 0.04815043 Mg 2.18589019 8.90296965 2.19147921 0.15134985 -0.05571811 0.08896791 Mg 0.03535630 11.07131675 2.18830000 0.00252708 0.01993129 0.02835877 Mg 4.47284990 8.92690246 0.01718014 -0.09349578 -0.01733099 -0.17802059 Mg 6.73047985 11.10997702 0.01589875 -0.03652031 -0.10106101 0.05276438 Mg 6.61533111 8.90310330 2.21756840 0.16604894 -0.17031915 0.00734836 Mg 4.44594991 11.08538346 2.21021672 -0.07227305 0.21769842 -0.08674851 Mg 8.89433413 8.82766701 0.00461080 -0.00309378 0.12089470 -0.13876816 Mg 11.05877298 11.05801958 0.01591487 -0.19652790 -0.20418229 0.17718810 Mg 11.09484569 8.86856583 2.19866413 0.07959171 0.05588365 0.03934561 Mg 8.88294069 11.08938547 2.17653902 0.06801421 0.06469277 0.09151954 Mg 0.01052187 0.01063786 4.43646034 0.05509212 0.08438994 -0.00385499 Mg 2.25033550 2.18594419 4.46968100 -0.16510795 0.16018802 -0.15951382 Mg 2.23299423 0.03434506 6.65023604 -0.07116444 -0.22614021 0.08366462 Mg 0.00182022 2.23481266 6.60805301 -0.15160522 -0.09245789 0.08493599 Mg 4.41609476 0.00394275 4.41034199 0.06826225 -0.17726421 0.09727341 Mg 6.67573048 2.24470275 4.40881503 -0.12681124 -0.07483790 0.11523324 Mg 6.62578153 0.01448266 6.65868823 0.09619305 -0.10578818 -0.07358986 Mg 4.40170566 2.26195535 6.63830721 0.19473696 -0.09096624 0.00774895 Mg 8.91116789 0.04284765 4.43210265 -0.10167209 -0.20965060 0.07075227 Mg 11.04912959 2.18967025 4.40488035 0.22855038 0.11988865 0.10446513 Mg 11.08045119 0.02004122 6.69388538 -0.11085722 0.13640124 0.00617770 Mg 8.85759188 2.25089727 6.68373037 0.16689253 -0.17675788 -0.04767650 Mg 0.00174760 4.45006843 4.44775964 -0.15019119 -0.12235199 -0.10217878 Mg 2.19684922 6.62115670 4.41578031 0.08136042 0.23970139 0.00952663 Mg 2.22628800 4.45353080 6.61859410 0.00611861 -0.01208762 0.09782252 Mg 0.03084403 6.61481795 6.62728534 -0.20328785 0.16066468 0.03433883 Mg 4.39272183 4.46632957 4.40769496 0.18183499 -0.11735746 0.10020766 Mg 6.67086849 6.61135940 4.45944760 -0.10342278 0.10831129 -0.04374858 Mg 6.67648694 4.39190798 6.68932104 -0.21248293 0.14869592 -0.09542566 Mg 4.40171185 6.68692391 6.68057417 0.04829520 -0.09303808 -0.06979731 Mg 8.85099734 4.42906578 4.46577240 0.14873902 0.03442157 -0.09296285 Mg 11.09510937 6.61789038 4.39401136 0.06510968 0.07945952 0.05857795 Mg 11.06954721 4.47194115 6.67394385 0.20794536 -0.13421133 -0.06306627 Mg 8.85578305 6.62974512 6.71632967 0.00633636 0.13468548 -0.18701687 Mg 0.00921691 8.94618860 4.42846430 -0.14508485 -0.11563105 -0.00600445 Mg 2.23103887 11.11159070 4.40263968 -0.04543048 0.16658563 0.06413775 Mg 2.18570102 8.91328821 6.64931388 0.09837837 -0.14722475 -0.06244126 Mg 0.01282266 11.02810044 6.71137207 0.00603871 0.09602658 -0.06889576 Mg 4.40697383 8.87606873 4.44858184 -0.00067810 -0.12019457 -0.07158365 Mg 6.61165080 11.07100334 4.40008380 0.09781102 0.18845815 0.05802016 Mg 6.65657910 8.85815548 6.65635523 -0.04634710 -0.00725502 0.08625741 Mg 4.44223766 11.07453408 6.67154978 -0.02992284 0.16089585 -0.01276300 Mg 8.83699555 8.84145682 4.46648050 0.10944983 0.00766440 -0.18191977 Mg 11.04268291 11.06996597 4.46787893 -0.07670256 -0.06393310 -0.11057308 Mg 11.10737673 8.88240473 6.60462960 0.09559883 -0.00775047 0.05530456 Mg 8.82729646 11.08521099 6.61668565 0.10409539 0.14925973 0.09448460 Mg 0.03725580 0.03759543 8.88197734 0.12977022 0.18156108 0.01916305 Mg 2.22174871 2.26023685 8.83724803 -0.12185876 -0.22282336 0.13855411 Mg 2.20708246 0.01087197 11.07663263 -0.02325179 0.16575869 -0.17788702 Mg 0.03402124 2.25018748 11.12391346 0.15486886 -0.06321054 -0.20368362 Mg 4.47714590 0.02166480 8.87064613 -0.11708335 -0.12075498 0.07218541 Mg 6.68534383 2.21018477 8.84921882 -0.11640247 0.02722157 0.18602938 Mg 6.69091127 0.02013272 11.09005878 -0.05277117 0.08632669 -0.07417780 Mg 4.39795988 2.19910545 11.08443518 0.08342939 -0.06968775 0.13108820 Mg 8.89762586 0.03586653 8.92228709 0.02950343 -0.22432908 -0.08612723 Mg 11.08613310 2.24349222 8.91966273 0.16154332 -0.04822874 -0.04416150 Mg 11.08466421 0.04091622 11.08958210 -0.17443702 0.17908485 -0.18432917 Mg 8.88602763 2.19119486 11.08530755 0.03092081 0.14322313 0.19102524 Mg 0.03025016 4.42613143 8.83575650 -0.17561413 0.00053405 0.13864308 Mg 2.20286668 6.67573232 8.89529674 0.04327637 -0.08107600 -0.01044473 Mg 2.23183196 4.41429209 11.09214108 -0.09017531 0.09563374 0.15622145 Mg 0.00579132 6.66575788 11.06286857 0.07429627 -0.04028519 -0.07551094 Mg 4.40063605 4.40901720 8.87921355 0.08012342 0.09776916 -0.02915163 Mg 6.61197149 6.61768867 8.87596423 0.05332176 0.14857071 -0.02375375 Mg 6.61245485 4.43829734 11.09475014 0.08781646 -0.13151522 0.11957999 Mg 4.47141234 6.65831235 11.11072077 -0.11317383 0.02591478 0.13542256 Mg 8.87930541 4.46859848 8.87072519 0.00314677 -0.16793099 0.17374129 Mg 11.07075778 6.67495644 8.83941353 0.25839226 0.06930922 0.17400958 Mg 11.12673289 4.46856230 11.05996136 -0.14276505 -0.01002031 -0.08328011 Mg 8.84818400 6.63383382 11.04519648 0.12331108 0.07256043 0.18989251 Mg 0.01070642 8.84810195 8.83029310 -0.19603156 0.05679702 0.23847678 Mg 2.21341625 11.04406946 8.88574746 -0.05878138 0.21724139 0.15308089 Mg 2.21193710 8.85179379 11.11607119 -0.09234941 0.12475791 0.13121874 Mg 0.00913295 11.11355247 11.10021429 0.27589348 -0.30383116 -0.28703868 Mg 4.40481360 8.87180975 8.89489319 0.12258642 0.06133686 0.05911451 Mg 6.65249985 11.10611729 8.86345141 0.00416148 0.04606820 0.13861772 Mg 6.69544168 8.87165597 11.09854011 -0.04212334 0.12097169 0.03580468 Mg 4.39942324 11.10171111 11.12136640 0.04495696 -0.17258949 -0.16030415 Mg 8.93615605 8.89649337 8.86065297 -0.13461077 0.06853849 0.11155492 Mg 11.09738738 11.06125018 8.87911787 -0.16919218 -0.12992071 0.01541306 Mg 11.08441336 8.89540898 11.12806710 -0.21552102 0.00363368 -0.19879007 Mg 8.85629322 11.12375450 11.09857634 0.06629492 -0.20222520 -0.20489766