108 Lattice="13.277818025832868 0.0 0.0 0.0 13.277818025832868 0.0 0.0 0.0 13.277818025832868" Properties=species:S:1:pos:R:3:forces:R:3 energy=-137.80773900653497 stress="-0.0018973906091331579 2.827364357346456e-05 -0.0001197533404799128 2.827364357346456e-05 -0.0017561307383768695 0.00023474191667123876 -0.0001197533404799128 0.00023474191667123876 -0.0020157628962568833" free_energy=-137.80773900653497 pbc="F F F" Mg 0.01598201 0.02709031 0.04185552 -0.02356864 -0.04718460 -0.06097593 Mg 2.17132050 2.24672718 0.02597473 0.28122790 -0.01275684 -0.12603681 Mg 2.25563756 0.03584860 2.15804095 -0.13859631 -0.07900782 0.14989334 Mg 0.01549263 2.21528844 2.17989968 -0.09624087 -0.01020707 0.16696261 Mg 4.43259680 0.01194492 0.04326293 0.02587361 0.02317602 -0.04107268 Mg 6.60860736 2.18576901 0.03211266 0.05675885 0.10698098 -0.08132027 Mg 6.66039554 0.03847352 2.27965136 -0.05189235 -0.08427524 -0.13323490 Mg 4.43781901 2.24253873 2.24720153 -0.07551333 0.03092392 -0.19038713 Mg 8.85838492 0.03251970 0.03431613 -0.08589401 -0.03691603 0.03385933 Mg 11.04728091 2.18724733 0.01129641 0.01659326 0.12382262 0.02333626 Mg 11.09448201 0.00256750 2.19350142 -0.08603017 0.09348544 0.10212473 Mg 8.82332874 2.25991886 2.20616017 0.30055913 -0.16082365 0.09243562 Mg 0.03769629 4.45973308 0.01653072 -0.20617280 -0.07104527 -0.16528129 Mg 2.21700918 6.61569258 0.00511417 0.12936570 0.11642176 -0.08958334 Mg 2.16981539 4.45379922 2.18394039 0.36122694 -0.06954431 0.17538384 Mg 0.01380734 6.62274625 2.17794719 -0.08728637 0.16864394 0.24492219 Mg 4.44132478 4.45625829 0.00803815 -0.07906585 -0.15585213 0.05494937 Mg 6.61195828 6.60779651 0.04281172 0.07114648 0.09365433 -0.07820456 Mg 6.66185110 4.39823363 2.24740837 -0.15700580 0.19435673 -0.06589271 Mg 4.45971808 6.66124735 2.25177792 -0.11018400 -0.28185748 -0.19282979 Mg 8.85992229 4.42055705 0.03943766 -0.03049593 -0.03638493 -0.19322259 Mg 11.10130098 6.62451359 0.03367287 -0.02771409 0.10105198 -0.05037584 Mg 11.09047096 4.44597385 2.19976535 0.07065053 -0.14594709 0.06961781 Mg 8.88328382 6.59642698 2.19007888 -0.11379547 0.26510179 0.16717555 Mg 0.02697924 8.81840548 0.04150107 -0.04653262 0.06922102 -0.04023587 Mg 2.20616570 11.02098058 0.04182428 -0.04516920 0.12708861 -0.08771957 Mg 2.24009769 8.83966990 2.17964326 -0.19271645 -0.06327544 0.21729214 Mg 0.03325239 11.06500517 2.25337579 -0.03504456 -0.04836894 -0.08898495 Mg 4.38508377 8.87092500 0.01041938 0.17232492 -0.09516872 -0.11760124 Mg 6.64631046 11.07486276 0.01741778 -0.14308823 -0.02237787 -0.05775594 Mg 6.59501378 8.86859057 2.19216062 0.21100661 -0.06844472 0.08116815 Mg 4.38646163 11.04994517 2.23160350 0.16112955 0.12511882 -0.06898968 Mg 8.81767047 8.81568619 0.01270400 0.18830589 0.08878180 0.03773327 Mg 11.09612297 11.08226078 0.02791902 -0.13772049 -0.13706119 0.07110740 Mg 11.07877792 8.87477308 2.25127300 -0.13253130 -0.11414012 -0.15681029 Mg 8.81133367 11.08985715 2.17516515 0.12933921 -0.10318182 0.14069704 Mg 0.07384079 0.01274744 4.43677981 -0.04887393 0.04321416 -0.06049921 Mg 2.22450234 2.20270859 4.39952021 -0.12359928 0.08595689 0.08031360 Mg 2.18795933 0.05150138 6.67998021 0.04614260 -0.07408464 -0.03168594 Mg 0.02885128 2.27152298 6.68243175 -0.05170612 -0.15459382 -0.12461764 Mg 4.38892161 0.02361372 4.39398662 0.10391220 -0.03827974 0.19825304 Mg 6.68153163 2.25137865 4.43426387 -0.09676505 -0.13963156 0.17785624 Mg 6.59796754 0.04376000 6.65215237 0.11121665 -0.05943177 -0.10683895 Mg 4.41913434 2.22677697 6.66734411 -0.00254794 -0.11910452 -0.19478191 Mg 8.88720989 0.02738278 4.41700602 -0.05166821 -0.01263931 0.06005882 Mg 11.04251325 2.24142288 4.42859609 0.07307620 -0.04782182 -0.12718617 Mg 11.05345716 0.02402886 6.63817806 0.07981441 -0.04753414 -0.01668643 Mg 8.89111825 2.22946609 6.65467404 -0.25964667 0.03232135 -0.12534709 Mg 0.02396320 4.40561195 4.39081202 -0.01683908 0.07175893 0.10639257 Mg 2.24736535 6.67189373 4.39725828 -0.26237864 -0.10684342 0.04283055 Mg 2.25453846 4.44549011 6.62783820 -0.22359353 -0.12001700 -0.02614616 Mg 0.06595163 6.60030209 6.65276958 -0.10311429 0.13809224 -0.18493457 Mg 4.39459664 4.38876458 4.46078940 0.10789381 0.15157316 -0.19423502 Mg 6.64115301 6.60886597 4.46465372 -0.08550667 0.08010434 -0.18736263 Mg 6.64021914 4.43847739 6.62847614 0.11814689 -0.07220517 0.03156413 Mg 4.39939662 6.61327212 6.64944463 0.19325434 0.23953371 -0.15554667 Mg 8.88844951 4.47856051 4.43354697 -0.03723637 -0.17808431 -0.01349390 Mg 11.07824856 6.63119228 4.45451138 0.05373129 0.13022613 -0.06340498 Mg 11.05342104 4.43361377 6.62842059 0.10609267 0.07905390 0.11591148 Mg 8.81529045 6.65814806 6.62878759 0.31769462 -0.05742942 0.12984062 Mg 0.00021571 8.88738502 4.45280203 0.06235912 -0.16401807 -0.04422486 Mg 2.22224521 11.05742055 4.39775739 -0.03800000 -0.00238750 0.14533417 Mg 2.24758048 8.86643357 6.63764676 -0.18459679 -0.01538922 -0.09783022 Mg 0.00542266 11.08905345 6.67450609 0.08589987 0.02024420 -0.08333529 Mg 4.43257077 8.81941932 4.38973140 0.05097110 0.18539690 0.24580584 Mg 6.62095267 11.06146181 4.43725096 0.07758460 0.05310495 -0.04333656 Mg 6.67059353 8.87840672 6.63380568 -0.28446314 0.02292479 -0.00779139 Mg 4.40566520 11.04473774 6.61388136 0.09497237 0.08103323 0.09978591 Mg 8.81537176 8.82657065 4.42417721 0.13611588 0.10698421 -0.14830332 Mg 11.03823243 11.02848681 4.40832337 -0.05404375 0.07373217 0.04713348 Mg 11.07228500 8.86961242 6.65339486 -0.02216021 -0.17530075 -0.02822447 Mg 8.88837824 11.03999309 6.67870182 -0.15478134 0.08153844 -0.17505995 Mg 0.00249837 0.02274443 8.93876857 0.02537798 0.06388852 -0.17469336 Mg 2.23205450 2.25155427 8.84450531 -0.04662009 -0.01056509 0.20853552 Mg 2.17656744 0.01293290 11.10862299 0.12030139 0.08050261 -0.03725485 Mg 0.01038361 2.23494461 11.07458936 0.02203375 0.07684800 -0.01362780 Mg 4.39056450 0.02174832 8.87547707 0.02588891 -0.04784397 0.07809148 Mg 6.60387272 2.24467264 8.83244652 0.16631859 -0.06093656 0.14336512 Mg 6.63267714 0.04748160 11.07121978 0.07248602 0.00990410 -0.06825720 Mg 4.42479611 2.21690006 11.09040603 0.02706814 0.05199972 -0.05353506 Mg 8.86166150 0.06384919 8.83832785 -0.23988491 -0.11534547 -0.01249065 Mg 11.02266931 2.21896054 8.83296105 0.24021911 0.11445265 0.06854722 Mg 10.98968070 0.05007506 11.03046738 0.06526591 -0.03013333 0.05019438 Mg 8.85823526 2.26232443 11.03907848 -0.13725871 -0.06859437 0.06323926 Mg 0.00344571 4.44618827 8.84604899 0.04262923 -0.02436170 0.17309214 Mg 2.22580718 6.62848373 8.83355268 -0.10367130 0.02799268 0.17779240 Mg 2.24927635 4.40458655 11.07888199 -0.16630320 0.06098031 -0.08491398 Mg 0.00476214 6.65895156 11.04973581 0.07631818 -0.01417553 -0.03804599 Mg 4.46643254 4.46209420 8.80912787 -0.11827062 -0.13512162 0.29287665 Mg 6.63723345 6.67199977 8.81348611 -0.06594050 -0.13947115 0.12808408 Mg 6.67911644 4.45308936 11.02826135 -0.19703434 -0.04583083 0.04470450 Mg 4.38504749 6.60182682 11.04604489 0.21362792 0.08733226 0.02665035 Mg 8.87909219 4.43511138 8.85196820 -0.17369073 0.06464705 -0.15471359 Mg 11.04608499 6.64026307 8.88786021 0.02001148 0.05300557 -0.17248395 Mg 11.02173402 4.45107515 11.05756005 0.11948944 -0.05783288 0.05936013 Mg 8.82151298 6.62910386 11.04951126 0.09800223 0.09115630 0.07801668 Mg 0.01486918 8.87262147 8.81143916 0.03163014 -0.08486924 0.16491500 Mg 2.21714433 11.04426821 8.88892789 0.08054532 0.06020642 -0.00982854 Mg 2.24816675 8.83230532 11.07822104 -0.07434896 0.09542878 -0.05820366 Mg 0.02884898 11.07963267 11.09048319 0.06033706 -0.12672161 -0.07611436 Mg 4.41181375 8.84637743 8.82004447 0.15419960 0.10025582 0.21241153 Mg 6.66111163 11.07631524 8.89205644 -0.14275582 -0.02800720 -0.16408674 Mg 6.63897736 8.81226071 11.05488077 -0.10437079 0.10064057 0.03840201 Mg 4.47965950 11.09310721 11.10199067 -0.07899484 -0.13291201 -0.08445013 Mg 8.81010815 8.82261636 8.84677641 0.16728147 0.07782209 0.05982936 Mg 11.01012630 11.02078063 8.85431739 0.10995645 0.09162632 0.01806771 Mg 11.02173488 8.88069105 11.03529787 -0.02981284 -0.10456613 0.06254570 Mg 8.84042169 11.07708923 11.03516933 -0.05063803 -0.05740712 0.07162826