108 Lattice="13.158432845269816 0.0 0.0 0.0 13.158432845269816 0.0 0.0 0.0 13.158432845269816" Properties=species:S:1:pos:R:3:forces:R:3 energy=-143.79443257146266 stress="-0.0023472817325026446 0.0004361196302454279 -1.5557281346092833e-05 0.0004361196302454279 -0.001990399139909518 5.096618657678166e-05 -1.5557281346092833e-05 5.096618657678166e-05 -0.0020121002416480013" free_energy=-143.79443257146266 pbc="F F F" Mg 0.00347391 0.02135207 0.01533266 0.03026472 0.04749889 0.01874188 Mg 2.22208048 2.16418028 0.01223668 0.00922786 0.11427348 -0.08815433 Mg 2.17555938 0.02029541 2.17359276 0.07498076 -0.12010145 0.07468935 Mg 0.03510953 2.23055474 2.15184032 -0.11666140 -0.16040878 0.14338417 Mg 4.38473424 0.00809616 0.02517459 0.00913600 -0.02622375 -0.03236144 Mg 6.59820895 2.17216253 0.02810887 -0.10425819 0.02470367 -0.15972876 Mg 6.55172402 0.02968196 2.18743972 0.17605533 -0.07164248 0.13521906 Mg 4.36990738 2.17475272 2.23076872 0.04530617 0.09805653 -0.11217763 Mg 8.79926163 0.03778501 0.00417968 -0.09017850 -0.05152169 0.01833600 Mg 10.96344313 2.19759785 0.04140366 -0.01084417 0.15905029 -0.11872471 Mg 10.97267658 0.04104741 2.15784152 -0.05563885 -0.02905618 0.18185291 Mg 8.77275688 2.21743969 2.16038734 0.08745890 -0.16782981 0.20350526 Mg 0.04007413 4.35791436 0.00326425 -0.05253669 0.06096326 -0.10118634 Mg 2.18464969 6.56708119 0.03004106 -0.00214661 -0.07387274 -0.15360401 Mg 2.16249667 4.38211522 2.18021749 0.28450908 -0.14609133 -0.03684341 Mg 0.03580397 6.53847858 2.22278698 -0.22996439 0.21101084 -0.22456229 Mg 4.40404610 4.37325416 0.02637664 -0.04208307 -0.03125337 -0.08164306 Mg 6.58054280 6.64288979 0.04043215 0.05284088 -0.16975650 -0.05747464 Mg 6.59537982 4.34921735 2.17008313 -0.12724168 0.26271358 0.16305528 Mg 4.36755111 6.56014364 2.17546233 0.09870126 -0.01653248 0.17563265 Mg 8.73809966 4.42235684 0.03450179 0.06597218 -0.07882563 -0.17679579 Mg 10.92608805 6.55615102 0.03530534 0.12535802 0.10799870 -0.06358244 Mg 10.95793840 4.41269696 2.15619494 0.04136742 -0.12570784 0.26662323 Mg 8.80215197 6.58528170 2.23540888 -0.21500678 -0.04441243 -0.07854545 Mg 0.07064837 8.78511851 0.02604888 -0.06545356 -0.08325274 -0.00122562 Mg 2.21760701 10.98058675 0.01761049 0.06121619 -0.02463547 -0.00485234 Mg 2.20389512 8.75702463 2.16725666 -0.04029987 0.12474084 0.28161876 Mg 0.02120031 10.98031364 2.16539190 0.07925480 -0.06558823 0.13215421 Mg 4.36761051 8.72873754 0.03623789 0.01254006 0.21756068 -0.19150626 Mg 6.61170668 10.95953980 0.02990104 0.00626016 -0.11053647 -0.04435814 Mg 6.55320566 8.78684838 2.21230752 0.21574458 -0.03423107 -0.10166187 Mg 4.41482384 10.93512459 2.16819584 -0.12395058 0.10383754 0.14543042 Mg 8.81361350 8.73380550 0.01462497 -0.08085669 0.20207001 0.02348872 Mg 11.00120670 10.99744917 0.02511812 -0.06804736 -0.13109168 0.03561417 Mg 10.93130439 8.80042625 2.22605765 0.21699310 -0.04356394 -0.09487313 Mg 8.82396890 10.96543584 2.16582689 -0.10799252 0.05441802 0.10963479 Mg 0.03788956 0.02072057 4.37455466 -0.05537188 0.04684938 -0.02204824 Mg 2.20846193 2.16723618 4.36272486 -0.17469726 0.12563290 0.09023760 Mg 2.16026188 0.02919690 6.60465825 0.12055006 -0.13784600 -0.04753681 Mg 0.01395116 2.18436499 6.61391146 -0.10069283 0.11305459 -0.18263577 Mg 4.38176455 0.00470237 4.42473121 -0.06197442 -0.14577337 -0.17957303 Mg 6.60851411 2.21780400 4.38909968 -0.14764796 -0.21767168 -0.06483629 Mg 6.55109564 0.01242994 6.56070362 0.08831188 -0.06208498 0.12895400 Mg 4.37109439 2.16363257 6.55456323 0.12538705 0.07294439 0.15296469 Mg 8.79496635 0.01213095 4.41890142 -0.09664354 -0.08820610 -0.27145210 Mg 10.93774801 2.18138584 4.39627917 0.16711929 0.11021213 -0.19224436 Mg 10.98648801 0.01161438 6.56646495 -0.01308894 -0.03146362 0.14840963 Mg 8.80335879 2.17105349 6.54111704 -0.00372086 0.09258804 0.36825889 Mg 0.02461457 4.38492272 4.35370823 -0.11316494 -0.19043612 0.26021225 Mg 2.15507974 6.54413707 4.34474387 0.21878551 0.15699712 0.17383862 Mg 2.20867512 4.34782136 6.60745985 -0.17546845 0.19173645 -0.19115356 Mg 0.03975377 6.60233545 6.57305029 -0.11061812 -0.24244659 0.00943070 Mg 4.37361761 4.40283267 4.41118302 0.08814905 -0.02623920 -0.08936543 Mg 6.59620356 6.62242738 4.40860349 -0.10200175 -0.14953573 -0.14006369 Mg 6.61744723 4.38315277 6.58750115 -0.09981773 -0.04500533 -0.10376973 Mg 4.37860412 6.60038469 6.59337140 -0.11655444 -0.06552187 -0.11400623 Mg 8.75652206 4.34562216 4.40149622 0.22966150 0.25736589 -0.11315735 Mg 10.93876452 6.60137128 4.41255491 0.09657497 -0.08057063 -0.05795753 Mg 10.97584063 4.42118362 6.57631568 -0.07785431 -0.12654180 0.01187537 Mg 8.72877576 6.62302086 6.57376245 0.28088805 -0.09197219 0.04500966 Mg 0.00169378 8.77783112 4.38818826 -0.04414886 0.10980474 -0.10841812 Mg 2.19968888 10.94939755 4.41539446 -0.10069000 0.03559339 -0.26069932 Mg 2.17390277 8.74453194 6.53975936 0.10594531 0.12188682 0.21018781 Mg 0.02769291 11.00476646 6.61267807 -0.04755964 -0.06368250 -0.10217844 Mg 4.39049981 8.78338856 4.40585998 -0.08591547 -0.06732623 -0.14090581 Mg 6.61917330 10.93236959 4.39787945 -0.07167863 0.12983173 -0.06050025 Mg 6.55033878 8.78416312 6.63756700 0.06230427 0.10118482 -0.14690041 Mg 4.35582790 10.97049627 6.54079133 0.11875538 0.05524532 0.15159473 Mg 8.78633648 8.79463416 4.34273183 -0.04161379 0.06733911 0.25838281 Mg 10.99245323 10.96118679 4.46966608 -0.06452459 -0.00695475 -0.09198831 Mg 10.94393865 8.75439958 6.60707299 0.04242110 0.03787771 0.01260422 Mg 8.74387841 10.93145031 6.59677265 0.14449171 0.04791586 0.02246525 Mg 0.03248541 0.03064957 8.76290916 -0.09950693 -0.02253642 0.02272179 Mg 2.20152454 2.23274470 8.74208062 0.07211577 -0.06213284 0.25557392 Mg 2.16675855 0.03228983 10.90558706 0.06530914 -0.02218984 0.10587506 Mg 0.04247164 2.19181172 10.95322305 -0.04646355 0.06431604 -0.02999794 Mg 4.34961769 0.00185133 8.81609690 0.20294117 0.04958267 -0.12007040 Mg 6.61755557 2.22689857 8.74170208 -0.15297903 -0.21864536 0.14401565 Mg 6.61797886 0.00328604 11.00138694 -0.06444423 0.12388475 -0.08145894 Mg 4.39218669 2.19113840 10.97416661 -0.02683279 0.08506837 -0.09372414 Mg 8.73126645 0.01712703 8.78378569 0.17598930 0.01237731 -0.09077439 Mg 10.96824443 2.19934136 8.77974288 -0.04427489 0.00273541 -0.13365339 Mg 10.95845823 0.03204526 10.96439038 -0.07990716 0.03976306 -0.07608447 Mg 8.80512861 2.22882438 10.94477776 -0.10097322 -0.14419631 0.05463205 Mg 0.01109285 4.39231716 8.79321629 -0.13149599 -0.02744922 -0.12527482 Mg 2.19691541 6.55500711 8.80016493 -0.03836334 0.13627988 -0.17569563 Mg 2.15001718 4.42150843 10.96089303 0.29861088 -0.18670657 0.06736536 Mg 0.01456828 6.54905292 10.94773843 -0.14089389 0.16266404 0.04549946 Mg 4.41564193 4.40982353 8.74170507 -0.09846727 -0.19958827 0.27419160 Mg 6.56274496 6.54411163 8.72855357 0.08536063 0.19750066 0.32381733 Mg 6.61465354 4.36072781 10.97119756 -0.17978353 0.11534513 0.05816989 Mg 4.37725635 6.61511643 10.93285690 0.07121305 -0.20336517 0.14023498 Mg 8.78244023 4.43101058 8.80699242 0.15078456 -0.17120089 -0.26557586 Mg 11.00552548 6.53862767 8.76893451 -0.05668389 0.15305803 0.09722790 Mg 10.96783301 4.35136612 10.97734237 0.04158891 0.12198563 0.02632945 Mg 8.75676977 6.58421438 10.92218006 0.14258912 -0.01257966 0.09440710 Mg 0.01895830 8.75894146 8.73264326 0.02471336 0.06304102 0.13592352 Mg 2.19784907 10.99838196 8.72963208 0.05181153 -0.17353747 0.17889563 Mg 2.15743530 8.75779778 10.96223589 0.13562592 0.08395455 -0.06527494 Mg 0.03494704 10.91434718 10.98655536 0.02911771 -0.01731551 -0.13241816 Mg 4.38608060 8.77077605 8.79090417 -0.15676986 0.17789658 -0.05369054 Mg 6.56143867 10.99013042 8.76579264 0.06645820 -0.04002623 0.11835971 Mg 6.59260315 8.73825458 10.96465927 -0.01844955 0.12881748 -0.06780060 Mg 4.41001145 10.96988214 10.95179930 -0.10633578 -0.08496747 -0.00464342 Mg 8.78248985 8.77473642 8.77815801 -0.09278113 -0.02703857 -0.03304051 Mg 10.98330051 10.96700744 8.77258995 -0.09438850 0.00264048 -0.07849834 Mg 10.92320880 8.80623783 10.91857438 0.11491835 -0.20612826 0.03105380 Mg 8.78761971 10.92280212 10.97990775 -0.14327638 0.08115099 -0.09477242