108 Lattice="11.775440309008134 0.0 0.0 0.0 11.775440309008134 0.0 0.0 0.0 11.775440309008134" Properties=species:S:1:pos:R:3:forces:R:3 energy=-329.6048952590029 stress="-0.00367717696668242 -0.0003458895637294868 3.752647673214698e-05 -0.0003458895637294868 -0.003718644132225127 -8.412355535809567e-05 3.752647673214698e-05 -8.412355535809567e-05 -0.003421226026254889" free_energy=-329.6048952590029 pbc="F F F" Al 0.03716408 0.02161113 0.00177624 0.48169165 0.46299209 0.46352510 Al 1.99591833 1.99966005 0.01319927 -0.16292251 -0.18410764 -0.42849052 Al 1.96618519 0.01988612 1.99286189 -0.09711758 -0.39518241 -0.12185608 Al 0.03660642 1.97185489 1.93158655 -0.39419999 -0.18206426 0.04648060 Al 3.87506881 0.03556253 0.02754290 0.01608973 0.05565280 0.06588036 Al 5.90043189 1.93751678 0.00911143 0.00412668 0.09306944 -0.27967372 Al 5.86125690 0.02388521 1.95827789 0.11521855 -0.39906786 -0.06320839 Al 3.88713467 1.94752499 1.94971555 0.16988271 0.19821981 0.10609285 Al 7.83545271 0.01140370 0.03750868 0.06205405 0.24125743 0.24415019 Al 9.83338719 1.93528561 0.01985745 -0.38570944 0.08247113 0.32277292 Al 9.84450094 0.00344485 1.93406533 -0.35692062 0.31722068 0.06718204 Al 7.83363408 1.93722228 1.98413257 0.12550558 0.12115677 -0.16062340 Al 0.02156437 3.89644940 0.04365136 -0.01805751 -0.02118051 -0.01378687 Al 1.89084241 5.86933364 0.03872080 0.19195021 0.19893002 -0.42543368 Al 1.94294181 3.93137499 1.94068078 0.21344675 -0.09083636 0.22302566 Al 0.02192424 5.88454903 1.97457580 -0.49473418 0.18617398 -0.02017154 Al 3.91232906 3.94672607 0.00397473 0.09870078 -0.07715844 -0.33794312 Al 5.91840536 5.90138729 0.03693732 -0.03338287 0.01695845 -0.51168622 Al 5.92650762 3.95371428 1.99133019 -0.13143462 -0.40317911 -0.12811111 Al 3.94763878 5.87520684 1.95221778 -0.29231025 0.16718742 0.06956994 Al 7.84260996 3.92820660 0.02240868 0.18216047 -0.16862056 -0.27272356 Al 9.81363492 5.85616270 0.03356821 -0.18816406 0.08742415 0.21559853 Al 9.84972358 3.89053717 1.99194923 0.21759845 0.00487530 -0.25689280 Al 7.84400546 5.90382135 1.99018600 0.19255119 0.06054718 -0.13713074 Al 0.03095341 7.83955190 0.02984571 0.16436694 0.07803847 0.20797198 Al 1.92422708 9.83835805 0.00040887 0.09638279 -0.33120926 0.32445321 Al 1.93992024 7.90790715 1.95627071 0.11825342 -0.18468902 0.01715598 Al 0.02514619 9.81920883 1.98582673 0.18659254 -0.23205842 -0.03002914 Al 3.89580782 7.84512863 0.00774988 -0.09166575 0.04784854 -0.32382260 Al 5.88820888 9.77818714 0.00388695 0.03005469 -0.15423392 0.12783608 Al 5.89574300 7.84302396 1.94700960 0.05651100 0.12144053 0.10458794 Al 3.92654210 9.77409428 1.97040097 -0.11429516 0.38123592 -0.10975419 Al 7.86996724 7.83065281 0.00945556 0.11865565 0.13621125 -0.26057729 Al 9.79930302 9.81642133 0.00476137 -0.49602048 -0.51887358 0.52399629 Al 9.79282563 7.84498153 1.99437034 0.26754830 0.14960467 -0.11371138 Al 7.82251749 9.84612808 1.92476341 0.16357530 0.14324030 0.06738645 Al 0.02485468 0.02217143 3.91727330 0.09940144 0.14054831 -0.03102107 Al 1.95557533 1.93663153 3.94011313 0.06185829 0.13984455 -0.03576235 Al 1.93925727 0.02532920 5.92729949 0.11622818 -0.34445200 -0.02078140 Al 0.00974219 1.96133226 5.90416484 -0.32013541 0.06412243 0.05525538 Al 3.96242474 0.01380595 3.93731515 -0.24548015 -0.38970441 -0.00951505 Al 5.88400717 1.95116308 3.95054840 0.07487620 0.22399938 -0.20512753 Al 5.88206870 0.02001149 5.88184913 0.13704531 -0.45114298 0.11816748 Al 3.93304589 1.99721237 5.91000022 -0.17549234 -0.10209371 -0.03553243 Al 7.85917672 0.03770043 3.90381973 0.12283164 -0.44296306 0.01396309 Al 9.80796586 1.97244552 3.89006604 0.35432578 -0.20031910 0.09440654 Al 9.78776083 0.00361040 5.92850064 -0.22170196 0.25336279 -0.02532038 Al 7.83951525 1.99864632 5.86914122 0.16456816 -0.11183473 0.20553841 Al 0.02940172 3.91434030 3.89421377 -0.40646876 -0.07680865 0.10321195 Al 1.93921538 5.91969335 3.90376077 0.27380329 -0.04919851 -0.03899657 Al 1.97494747 3.95532543 5.90236908 -0.11075139 -0.21516936 -0.14903881 Al 0.02859145 5.91923892 5.86538950 -0.53049395 -0.11842665 0.12062969 Al 3.91654018 3.90131545 3.91632930 -0.07906612 0.03700088 -0.04790108 Al 5.88530564 5.84950363 3.90001095 0.04588342 0.27635701 0.22856855 Al 5.90791971 3.93898544 5.91937597 -0.01424263 -0.11035384 -0.12334638 Al 3.94704786 5.84933761 5.92569896 -0.03362583 0.29106851 -0.18950614 Al 7.88511010 3.96392796 3.91070674 -0.18218860 -0.37459513 -0.00152512 Al 9.77908908 5.85566067 3.94089286 0.55154589 0.23861624 -0.16932669 Al 9.84481019 3.92266966 5.87241164 0.28863579 -0.13423407 0.31262746 Al 7.87326206 5.85130143 5.88283274 -0.11181364 0.21350411 0.14167823 Al 0.01024063 7.87830824 3.96432496 -0.44424378 0.04374446 -0.24171160 Al 1.94075764 9.79495202 3.93703307 0.03937892 0.37617047 -0.08784574 Al 1.93709197 7.83315821 5.89662889 0.24679330 0.09764830 0.08283881 Al 0.02331089 9.79873062 5.91739782 0.12312909 -0.09039365 0.09229767 Al 3.95441737 7.81157739 3.95427772 -0.15879492 0.03809527 -0.13984217 Al 5.85590419 9.84268605 3.90972916 0.21231578 0.23423756 0.01534490 Al 5.90500279 7.86360749 5.92236830 0.07314945 -0.09804683 -0.14402200 Al 3.88671895 9.81658925 5.85171834 0.03189972 0.31626169 0.14864084 Al 7.83616534 7.88123528 3.92469125 0.00065273 0.09039024 -0.01640777 Al 9.83548233 9.85162081 3.90610755 -0.35934954 -0.31803966 -0.03373547 Al 9.80070397 7.81435979 5.85396546 0.33044259 0.27007409 0.14593987 Al 7.87068243 9.84976246 5.91817465 0.06420119 0.17404838 -0.03903671 Al 0.03695822 0.02230899 7.81328036 0.22524521 0.24431913 0.14320712 Al 1.98654474 2.00727305 7.86779149 -0.10242585 -0.19325437 0.12214720 Al 1.95387434 0.01723578 9.83643910 0.06539780 0.34922197 -0.37706958 Al 0.00810102 1.92443348 9.79762186 0.32648418 0.10785685 -0.31390807 Al 3.93825366 0.01155925 7.86875071 -0.19471544 -0.32544521 0.10192134 Al 5.84947226 1.93474225 7.83702740 0.27130291 0.11172572 0.18944284 Al 5.86756853 0.02100518 9.84949542 0.12003651 0.19855167 -0.22044663 Al 3.95007362 1.98063153 9.84559809 -0.19603437 -0.05754280 0.25003760 Al 7.82838707 0.01946505 7.86244403 0.06626103 -0.23920376 0.10530265 Al 9.78730713 1.92987102 7.88872809 0.22959672 0.06874885 -0.03270099 Al 9.80541300 0.02350151 9.84314738 -0.52018601 0.47100617 -0.50027623 Al 7.85308650 1.97856334 9.84642975 0.02472527 -0.13508723 0.18475320 Al 0.03767072 3.95656042 7.86923442 -0.40758274 -0.12613753 0.07615672 Al 1.97488335 5.89305314 7.81218272 -0.09289151 0.14461421 0.21194155 Al 1.95067618 3.96197360 9.84275754 -0.11509810 -0.21020722 0.28072802 Al 0.01424531 5.94337910 9.82476426 0.18058737 -0.02012543 -0.19381188 Al 3.89283228 3.93757686 7.83719952 0.14222338 -0.16463996 0.19657071 Al 5.92187155 5.87029968 7.86859414 -0.10469952 0.21676898 -0.06810696 Al 5.91263541 3.92456296 9.81377315 -0.09048154 -0.10752395 0.38967620 Al 3.88747005 5.85603048 9.78127541 0.09710021 0.16277021 0.43439856 Al 7.81500849 3.91326792 7.87449565 0.30631944 -0.15056886 -0.06065824 Al 9.80099541 5.91994682 7.92723934 0.35597072 -0.12684735 -0.19452681 Al 9.80805842 3.94706151 9.79607737 -0.19413742 -0.11652366 -0.15050416 Al 7.81262083 5.90290329 9.81559149 0.18246929 0.08023062 0.41737725 Al 0.00254013 7.83846251 7.85957325 -0.31300967 0.13008438 0.08911812 Al 1.99042645 9.78352485 7.86698084 -0.18027374 0.37431238 0.01347788 Al 1.97737010 7.84401752 9.77661617 -0.11197497 0.06113433 0.39675039 Al 0.01989005 9.80595293 9.83087174 0.49727956 -0.50875227 -0.51459791 Al 3.94164515 7.87164650 7.85485793 -0.09601815 -0.15170847 -0.09128852 Al 5.86672711 9.78722521 7.83970509 0.21018282 0.37625906 0.14497072 Al 5.86312014 7.84446722 9.82305519 0.17022541 0.10904039 0.25157821 Al 3.90629844 9.78780967 9.80198988 0.00483758 -0.09413183 -0.09081667 Al 7.88548815 7.81599164 7.81807986 -0.09075747 0.28623920 0.15064269 Al 9.80849167 9.83871706 7.87354014 -0.32766306 -0.41449289 -0.08363684 Al 9.81073369 7.83389627 9.79256271 -0.27795496 0.09367590 -0.20017572 Al 7.88031937 9.79176309 9.80467090 -0.09544040 -0.34498060 -0.35351994