108 Lattice="13.158436055799024 0.0 0.0 0.0 13.158436055799024 0.0 0.0 0.0 13.158436055799024" Properties=species:S:1:pos:R:3:forces:R:3 energy=-143.7766344357814 stress="-0.001402565656215279 -0.0002701828706315861 -1.9104101696129604e-05 -0.0002701828706315861 -0.0013921841787142527 -0.00021634772740965254 -1.9104101696129604e-05 -0.00021634772740965254 -0.0017174226137205025" free_energy=-143.7766344357814 pbc="F F F" Mg 0.03369099 0.05239906 0.01869728 0.04052175 -0.02375129 0.03304458 Mg 2.22274494 2.17299611 0.03250206 -0.12244680 0.07704635 -0.13571229 Mg 2.23942672 0.02844978 2.20196531 -0.07452043 -0.12333947 0.12572052 Mg 0.03850540 2.15771646 2.21974792 -0.02833579 0.19794628 -0.12348981 Mg 4.38768687 0.02977490 0.02191289 0.13631328 -0.01039815 0.00927802 Mg 6.61068562 2.20767295 0.03021032 -0.23189521 -0.09827107 -0.11176220 Mg 6.59209392 0.05209176 2.23502033 -0.18479385 -0.14622447 -0.15969886 Mg 4.34701809 2.23461477 2.18053278 0.20531671 -0.19911596 0.10854559 Mg 8.73806481 0.00327075 0.03033567 0.10475383 0.00301905 -0.00326821 Mg 10.97956797 2.19985608 0.00039604 -0.14842182 -0.07277878 0.08854716 Mg 10.94001211 0.00934652 2.23034172 0.03694993 0.05731758 -0.16242915 Mg 8.73526747 2.16663606 2.17679937 0.31916840 0.22081956 0.08830421 Mg 0.07831717 4.39159922 0.00364851 -0.08611339 -0.09195550 0.02564509 Mg 2.23657297 6.54748878 0.03272628 -0.04414788 0.24950379 -0.14317564 Mg 2.21334405 4.41209775 2.15505463 -0.20476869 -0.16111216 0.25646999 Mg 0.01850313 6.59570345 2.19209052 -0.06635054 -0.07154226 0.05000720 Mg 4.36807613 4.34702004 0.00895180 0.15954697 0.07805702 -0.17870694 Mg 6.54575253 6.59526514 0.03853273 0.04760839 -0.19064430 -0.07170348 Mg 6.56251527 4.36299881 2.20996494 0.08977149 0.12725182 -0.08130535 Mg 4.38063558 6.55356515 2.19992205 0.11395826 0.07185437 -0.13907628 Mg 8.73939569 4.36388409 0.02992268 0.15929260 0.12559103 -0.03608068 Mg 10.94313672 6.58278466 0.02364063 0.02133216 -0.07411072 -0.09042674 Mg 11.00306388 4.36552924 2.17912596 -0.12690482 -0.11682721 0.03330493 Mg 8.80230010 6.57470342 2.19503198 -0.13774863 -0.16881808 0.08967157 Mg 0.00499928 8.73942117 0.01922520 0.15403900 0.05223079 0.04082083 Mg 2.23046491 10.96254155 0.02736792 -0.04292813 -0.11690634 0.08103496 Mg 2.20012038 8.74353510 2.22882724 0.10114707 0.15429212 -0.33119882 Mg 0.05888161 10.93185155 2.21663608 -0.04907946 0.00831473 -0.08904090 Mg 4.41013646 8.78475853 0.01537600 -0.07579185 0.08027600 0.08272403 Mg 6.61418127 10.99444532 0.03404530 -0.05860998 -0.09019983 0.04911619 Mg 6.56707681 8.72902772 2.23338047 0.05516616 0.28868158 -0.17470691 Mg 4.41016741 11.00588241 2.22318679 -0.03527062 -0.10579251 -0.13014148 Mg 8.73951164 8.74414232 0.04144437 0.07609837 0.15375024 0.02477718 Mg 10.95877497 10.93891218 0.03438817 -0.13056254 -0.08346490 0.08478116 Mg 11.00444266 8.73724479 2.17956225 -0.06508861 0.18967891 0.05719840 Mg 8.74797520 10.98096977 2.22861579 0.04657933 -0.10517484 -0.16038599 Mg 0.00138760 0.03580860 4.40140796 0.09029174 -0.08727018 0.01951604 Mg 2.19378813 2.20516312 4.38400518 0.08323819 -0.04998278 -0.04671733 Mg 2.22967267 0.00098944 6.60334239 -0.12687801 -0.04748621 -0.14743684 Mg 0.00954706 2.22627609 6.53961467 0.04206847 -0.07234030 0.22862367 Mg 4.42700221 0.03851110 4.41736116 -0.18565607 -0.16588094 -0.14117514 Mg 6.55520434 2.16268968 4.39295896 0.02062938 0.07780412 -0.05454045 Mg 6.54512827 0.03198059 6.63878092 0.19304862 -0.13865427 -0.04472516 Mg 4.36458180 2.18812495 6.55060156 0.09798546 0.13520089 0.18916556 Mg 8.80482099 0.04324159 4.35064336 -0.17009988 -0.17488311 0.30581938 Mg 10.93956259 2.17230037 4.41340203 0.09358918 0.10307138 -0.14701324 Mg 11.00658291 0.01419747 6.58809012 -0.12248618 0.04947208 0.03546878 Mg 8.72727982 2.19090450 6.56558149 0.21839743 -0.24808328 0.11588337 Mg 0.01743924 4.36033449 4.36960663 -0.00687496 0.20740617 -0.08729535 Mg 2.22068026 6.60627930 4.35320402 -0.16046645 -0.20582353 0.11987911 Mg 2.22373874 4.40429098 6.54769471 -0.08571337 -0.04539803 0.10090978 Mg 0.04315528 6.60461146 6.55313435 -0.07879894 -0.08703759 0.08517827 Mg 4.40975033 4.41189941 4.34571316 -0.11330879 -0.05807412 0.19199425 Mg 6.58914907 6.59995818 4.42609475 0.06330419 -0.18844935 -0.17364292 Mg 6.59638292 4.37685504 6.53768001 -0.29189518 -0.02918191 0.13085033 Mg 4.37095407 6.60844587 6.61489034 0.10401276 -0.17240729 -0.21615279 Mg 8.73268606 4.32475715 4.39744200 0.27044894 0.20992615 -0.23912037 Mg 11.00074958 6.53566386 4.34557482 -0.10567843 0.05911301 0.20921400 Mg 10.94876455 4.34655158 6.56166694 0.05289727 0.08953740 0.11964582 Mg 8.76531390 6.54938820 6.61963932 0.30559380 0.14107112 -0.29520111 Mg 0.04045711 8.79407185 4.39653681 -0.19208362 -0.09526559 -0.06106027 Mg 2.20250277 10.93126648 4.36698458 0.14870902 0.09953995 0.08733387 Mg 2.17763341 8.75112253 6.56565034 0.08206497 0.18994119 0.03641031 Mg 0.04367548 10.98006151 6.53721541 -0.06511580 0.00334891 0.07028681 Mg 4.40002441 8.74281940 4.34325485 -0.06726930 0.25166672 0.24138057 Mg 6.56217126 10.98384442 4.38994589 0.04750315 -0.01442507 0.07371716 Mg 6.59571053 8.73763581 6.55184953 0.00058871 0.30246957 0.12849107 Mg 4.37715837 10.97277905 6.58887819 -0.05781386 -0.06020284 -0.12236401 Mg 8.78789841 8.77952306 4.35098248 0.11574378 -0.04397057 0.20432123 Mg 10.90222591 10.98199328 4.36932028 0.08415736 -0.05981100 0.07092873 Mg 10.97263379 8.76555000 6.61669116 -0.09728940 0.04235604 -0.25036879 Mg 8.74668924 10.97985669 6.60690470 0.04720232 -0.10595403 -0.07159810 Mg 0.02693110 0.02788826 8.73764590 -0.02201750 0.05376429 0.01206703 Mg 2.22734935 2.15555254 8.77072309 -0.19109308 0.32083339 -0.01100263 Mg 2.16523430 0.01355480 10.96288321 0.05926432 0.02746187 0.01621456 Mg 0.00253317 2.20246201 10.97265850 0.07664739 0.05362368 -0.13408089 Mg 4.37915903 0.02814221 8.81490716 0.05920347 -0.12983068 -0.05668928 Mg 6.60062405 2.20581393 8.78440319 -0.08424516 -0.06424261 0.01656802 Mg 6.54386611 0.00941265 10.99383943 0.14256347 -0.02043951 -0.06574892 Mg 4.41606054 2.19422652 10.94316716 -0.12372407 0.09973652 0.13824406 Mg 8.81226442 0.00264892 8.79709229 -0.20598566 -0.04322600 -0.10279408 Mg 10.91925890 2.18882620 8.80705750 0.04711540 0.11523477 -0.15516191 Mg 10.90355283 0.06938463 10.99661951 0.07099253 -0.04788042 0.05739132 Mg 8.74106170 2.18392254 10.96174297 -0.05208467 0.18546701 0.06446329 Mg 0.03283704 4.42353617 8.77013466 -0.02697138 -0.20794140 -0.12860953 Mg 2.23680050 6.54908575 8.79141768 -0.18253665 0.13238096 -0.10618460 Mg 2.19432797 4.41050020 10.92197868 0.06478953 -0.24231241 0.14074850 Mg 0.02380224 6.56495500 10.92497914 -0.08897036 0.07747635 0.07622509 Mg 4.42481973 4.38730260 8.77740102 -0.03474703 -0.10744447 -0.05238455 Mg 6.60676970 6.55364199 8.76067153 -0.13373839 0.09009767 0.15780063 Mg 6.58533102 4.42464504 10.99037493 0.12204178 -0.10988358 0.03131610 Mg 4.40552978 6.54568635 10.98761750 -0.07385790 0.13494981 0.00267796 Mg 8.74178440 4.38187132 8.72861709 0.29795707 -0.00523098 0.39193869 Mg 10.99209138 6.61983751 8.77682436 0.01113157 -0.26342947 0.10098668 Mg 11.00211726 4.36347347 10.99969864 -0.15457345 0.00883412 -0.15751436 Mg 8.83235138 6.57295007 10.99603776 -0.08419748 -0.05074788 -0.04229611 Mg 0.03339786 8.79633390 8.78397323 -0.05800283 -0.12201431 -0.16048225 Mg 2.15478120 10.98506995 8.75167572 0.16242329 -0.03801231 0.04099291 Mg 2.17965081 8.73468942 10.93271405 0.15335468 0.14838997 0.04455305 Mg 0.01240289 10.96487692 10.93787100 0.05369797 -0.04169712 0.01178453 Mg 4.34851801 8.75788438 8.72061875 0.09612085 0.16132670 0.29765814 Mg 6.55504555 10.96132408 8.75002998 0.04900615 -0.07134640 0.11229530 Mg 6.53720720 8.73962475 10.92469738 0.10654322 0.12281202 0.01164558 Mg 4.37129868 10.99045699 10.95245401 -0.07037523 -0.14041625 -0.09785067 Mg 8.77629841 8.73763105 8.80734045 -0.03109262 0.21511401 -0.05336720 Mg 10.94694940 10.96737730 8.74010093 -0.02213344 -0.06155029 0.09708629 Mg 10.97436172 8.78726047 10.99107317 -0.02718202 0.06144140 -0.08366193 Mg 8.78253374 10.98767440 10.94818984 -0.09315499 -0.13784453 -0.08811697