108 Lattice="18.576208280230283 0.0 0.0 0.0 18.576208280230283 0.0 0.0 0.0 18.576208280230283" Properties=species:S:1:pos:R:3:forces:R:3 energy=-11.468871416580024 stress="-0.00016305970952420405 2.709651978632368e-06 3.3661903402114064e-05 2.709651978632368e-06 -0.00016531236370541467 4.044452970949571e-06 3.3661903402114064e-05 4.044452970949571e-06 -0.00015906050254071508" free_energy=-11.468871416580024 pbc="F F F" Xe 0.01190476 0.01289190 0.02356346 -0.01346816 -0.01187540 -0.01955034 Xe 3.11103702 3.08103063 0.00800511 0.02210463 0.01727673 -0.02002649 Xe 3.04152025 0.05846409 3.04903975 0.03816430 -0.03224448 0.02915025 Xe 0.03952829 3.07382732 3.03552416 -0.02478256 0.02333225 0.02919060 Xe 6.23992573 0.01461122 0.00817122 -0.00755390 -0.01471599 -0.00155280 Xe 9.23493705 3.08272812 0.02289665 0.01133060 0.02253422 -0.00498537 Xe 9.33189313 0.02060407 3.15629375 -0.00693952 -0.01915008 -0.00274552 Xe 6.22246921 3.04325459 3.15234673 -0.01635721 0.03699119 -0.01021188 Xe 12.40567114 0.03107289 0.06073051 -0.01251034 -0.02053415 -0.02542312 Xe 15.49521166 3.11380012 0.05113610 0.01367750 0.00929629 -0.01875623 Xe 15.45337705 0.01390771 3.14643502 0.02733694 -0.02078541 -0.00260439 Xe 12.43160654 3.04599804 3.03700526 -0.04302400 0.04414550 0.03885472 Xe 0.04589094 6.17968579 0.00554248 -0.01262284 0.00567485 -0.01041824 Xe 3.13723728 9.24833452 0.01196333 -0.01266765 0.01699453 -0.01745753 Xe 3.09763960 6.20818977 3.07308659 0.01623076 -0.01824139 0.02732898 Xe 0.00715034 9.29572939 3.12013457 -0.00108848 0.00815757 0.00581040 Xe 6.16119627 6.23188736 0.02259161 0.01879743 -0.02681966 -0.00604188 Xe 9.26408096 9.26261984 0.03744425 -0.00057917 0.01378515 -0.00981682 Xe 9.32864219 6.20475426 3.16621713 -0.02055150 -0.01224377 -0.01303323 Xe 6.14859907 9.26228779 3.07620354 0.02696807 0.00784783 0.02872527 Xe 12.31888998 6.21479842 0.03365162 0.00673276 -0.00750162 -0.01145297 Xe 15.53415995 9.24107222 0.03726114 -0.00488725 0.00024233 -0.00117967 Xe 15.43039123 6.14883174 3.14479872 0.01367968 0.02406207 -0.00948744 Xe 12.33385895 9.32281053 3.09490894 0.01582008 -0.00224750 0.01252930 Xe 0.01620134 12.35370810 0.00421305 -0.00459773 -0.01031110 -0.00608514 Xe 3.07057516 15.45768108 0.05926165 0.01228356 0.01126078 -0.02123792 Xe 3.14199634 12.36927418 3.10029479 -0.00927070 -0.01512343 0.02012691 Xe 0.03229745 15.44983678 3.09924282 -0.01082767 0.00856234 0.01485445 Xe 6.17664200 12.36266084 0.04020373 0.00897874 -0.00053149 -0.01704881 Xe 9.31434730 15.46267857 0.03182581 -0.01180893 0.00742017 -0.00998347 Xe 9.25573755 12.39580769 3.12760162 0.00598602 -0.00903389 0.00553006 Xe 6.15437796 15.50817109 3.09519232 0.01339228 0.01101341 0.01095563 Xe 12.40622925 12.41282035 0.05106539 -0.02260624 -0.03773210 -0.03091289 Xe 15.43740145 15.46193394 0.00140367 0.01670683 0.01776817 -0.01781842 Xe 15.48235224 12.42524153 3.03965292 0.01825554 -0.02625069 0.03643693 Xe 12.40812125 15.42958140 3.05072196 -0.02021576 0.02385752 0.04823140 Xe 0.04524111 0.05217267 6.24372954 -0.01600786 -0.02150762 -0.01298361 Xe 3.10566162 3.05447157 6.20472246 0.01427911 0.04545134 -0.01681672 Xe 3.17303316 0.04460058 9.26537103 -0.01340237 -0.03247306 0.01311456 Xe 0.03592873 3.09113644 9.24747018 -0.01270557 0.02668604 0.00954346 Xe 6.24585692 0.04237724 6.23379215 -0.01296713 -0.02885004 -0.01353464 Xe 9.24473509 3.10709673 6.18021027 0.02913231 0.01859368 0.01758646 Xe 9.25849842 0.05214802 9.33238324 0.01716132 -0.01490226 -0.02248087 Xe 6.11721984 3.08999960 9.28163344 0.03113183 0.03792462 0.00187784 Xe 12.42513929 0.05906980 6.17472585 -0.03036175 -0.01756079 0.01260472 Xe 15.48781213 3.12412308 6.14075781 0.01166269 0.00843451 0.02083733 Xe 15.42699072 0.06087413 9.27356673 0.01659335 -0.01521420 0.00725249 Xe 12.39687990 3.07671734 9.26146489 -0.01935249 0.03176940 0.00268520 Xe 0.01738680 6.19615205 6.10371560 -0.00056102 -0.00817735 0.01994830 Xe 3.17622109 9.27769033 6.21729867 -0.02373340 0.00835490 -0.01651929 Xe 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0.01610224 0.01680529 Xe 12.39774873 6.23087698 12.29857248 -0.01010681 -0.00720069 0.01425333 Xe 15.49433721 9.32966577 12.35561945 0.00575721 -0.01246689 -0.00389260 Xe 15.46078256 6.16750209 15.53262989 0.00619466 0.01310860 -0.00558716 Xe 12.42277892 9.32257907 15.51162942 -0.01420969 -0.01065003 -0.00523056 Xe 0.03264479 12.42503164 12.40464513 -0.02051730 -0.02352290 -0.02876921 Xe 3.10000774 15.46663633 12.44238221 0.01016403 0.02727720 -0.02904830 Xe 3.04106786 12.42326619 15.44768954 0.03880158 -0.03203167 0.02826623 Xe 0.02240011 15.43290983 15.53272694 -0.01574481 0.01671315 0.00819080 Xe 6.13145368 12.39910406 12.44073531 0.01448900 -0.03476501 -0.03038768 Xe 9.32452382 15.42676420 12.41371906 -0.00158076 0.02344829 -0.03120965 Xe 9.34906251 12.40112593 15.43819033 -0.00970064 -0.03065173 0.01643867 Xe 6.29076194 15.45644006 15.45138369 -0.01541849 0.01378353 0.01995527 Xe 12.40439006 12.39208867 12.35445854 -0.01376815 -0.02476018 0.00132252 Xe 15.43900336 15.52619030 12.43262740 0.01894075 0.00181256 -0.01804323 Xe 15.53081344 12.33540280 15.52100879 0.00268016 0.00534421 -0.00098846 Xe 12.41356626 15.48006130 15.42198863 -0.00807905 0.00749165 0.02647434