108 Lattice="18.577366404166888 0.0 0.0 0.0 18.577366404166888 0.0 0.0 0.0 18.577366404166888" Properties=species:S:1:pos:R:3:forces:R:3 energy=-11.378400317687793 stress="-0.00016288322122739492 2.69682783494973e-06 3.3626569628147656e-05 2.69682783494973e-06 -0.00016516805728489201 4.035624318186655e-06 3.3626569628147656e-05 4.035624318186655e-06 -0.00015889633366399905" free_energy=-11.378400317687793 pbc="F F F" Xe 0.01190550 0.01289270 0.02356492 -0.01347158 -0.01188008 -0.01954740 Xe 3.11123097 3.08122272 0.00800561 0.02206091 0.01723978 -0.01998272 Xe 3.04170988 0.05846772 3.04922985 0.03810447 -0.03218838 0.02910044 Xe 0.03953074 3.07401896 3.03571342 -0.02473411 0.02328907 0.02914066 Xe 6.24031475 0.01461213 0.00817172 -0.00755469 -0.01470104 -0.00155245 Xe 9.23551281 3.08292032 0.02289808 0.01132487 0.02249591 -0.00495956 Xe 9.33247492 0.02060535 3.15649052 -0.00692601 -0.01910879 -0.00275662 Xe 6.22285714 3.04344433 3.15254325 -0.01634202 0.03694984 -0.01020267 Xe 12.40644457 0.03107482 0.06073428 -0.01247236 -0.02051379 -0.02539709 Xe 15.49617770 3.11399425 0.05113928 0.01366393 0.00926152 -0.01873681 Xe 15.45434049 0.01390857 3.14663117 0.02730918 -0.02076359 -0.00262620 Xe 12.43238157 3.04618795 3.03719461 -0.04297134 0.04408512 0.03880303 Xe 0.04589380 6.18007106 0.00554282 -0.01261022 0.00565952 -0.01040784 Xe 3.13743286 9.24891111 0.01196407 -0.01266705 0.01698148 -0.01741789 Xe 3.09783272 6.20857681 3.07327819 0.01621167 -0.01822342 0.02729709 Xe 0.00715078 9.29630893 3.12032909 -0.00106621 0.00815336 0.00579000 Xe 6.16158040 6.23227587 0.02259301 0.01877179 -0.02679438 -0.00601435 Xe 9.26465853 9.26319732 0.03744658 -0.00057482 0.01377451 -0.00978470 Xe 9.32922378 6.20514109 3.16641452 -0.02052916 -0.01223038 -0.01301383 Xe 6.14898241 9.26286524 3.07639533 0.02693843 0.00784066 0.02870080 Xe 12.31965801 6.21518587 0.03365371 0.00673978 -0.00749972 -0.01142058 Xe 15.53512841 9.24164836 0.03726345 -0.00488089 0.00025140 -0.00118049 Xe 15.43135324 6.14921510 3.14499478 0.01364715 0.02402970 -0.00949170 Xe 12.33462791 9.32339175 3.09510189 0.01580441 -0.00224356 0.01251476 Xe 0.01620235 12.35447829 0.00421331 -0.00459418 -0.01027540 -0.00607987 Xe 3.07076660 15.45864479 0.05926534 0.01224628 0.01125027 -0.02121674 Xe 3.14219222 12.37004534 3.10048807 -0.00926805 -0.01509858 0.02009733 Xe 0.03229946 15.45080000 3.09943604 -0.01081750 0.00855490 0.01481434 Xe 6.17702709 12.36343159 0.04020623 0.00896273 -0.00051812 -0.01700972 Xe 9.31492799 15.46364259 0.03182779 -0.01178656 0.00741409 -0.00997408 Xe 9.25631460 12.39658050 3.12779661 0.00598227 -0.00902325 0.00552127 Xe 6.15476166 15.50913793 3.09538528 0.01337187 0.01097935 0.01093121 Xe 12.40700271 12.41359421 0.05106857 -0.02256274 -0.03767124 -0.03085881 Xe 15.43836389 15.46289791 0.00140376 0.01670721 0.01776721 -0.01781718 Xe 15.48331747 12.42601617 3.03984243 0.01821441 -0.02620375 0.03637857 Xe 12.40889482 15.43054336 3.05091217 -0.02017459 0.02381217 0.04815889 Xe 0.04524392 0.05217591 6.24411880 -0.01599223 -0.02148629 -0.01297869 Xe 3.10585524 3.05466201 6.20510928 0.01426266 0.04540016 -0.01680049 Xe 3.17323097 0.04460335 9.26594868 -0.01340202 -0.03241798 0.01310570 Xe 0.03593096 3.09132916 9.24804672 -0.01267097 0.02664291 0.00953957 Xe 6.24624630 0.04237988 6.23418078 -0.01295785 -0.02879726 -0.01352313 Xe 9.24531146 3.10729044 6.18059557 0.02910098 0.01857904 0.01756693 Xe 9.25907565 0.05215126 9.33296505 0.01714616 -0.01486555 -0.02245183 Xe 6.11760123 3.09019224 9.28221210 0.03109421 0.03788357 0.00187798 Xe 12.42591393 0.05907348 6.17511081 -0.03031491 -0.01752245 0.01258406 Xe 15.48877771 3.12431785 6.14114066 0.01162938 0.00841069 0.02080869 Xe 15.42795252 0.06087791 9.27414488 0.01657865 -0.01520038 0.00725261 Xe 12.39765277 3.07690916 9.26204230 -0.01933035 0.03173327 0.00268519 Xe 0.01738788 6.19653834 6.10409615 -0.00053910 -0.00817303 0.01992206 Xe 3.17641909 9.27826875 6.21768628 -0.02370217 0.00834689 -0.01650293 Xe 3.10585778 6.22041084 9.32403216 0.00309479 -0.02231690 -0.03179743 Xe 0.01922329 9.25497314 9.24959369 -0.01139098 0.00553613 0.00366678 Xe 6.20144611 6.21705842 6.17042207 -0.00616497 -0.01559509 0.00801265 Xe 9.28601585 9.30015303 6.17662214 -0.01415473 -0.00105705 0.01598379 Xe 9.24260194 6.15637607 9.30504788 0.01217476 0.01312194 -0.02207534 Xe 6.13450997 9.28117595 9.25003958 0.03153596 0.01492422 0.01514246 Xe 12.38674835 6.23105447 6.17076822 -0.01200376 -0.01347547 0.02423288 Xe 15.53113147 9.28075815 6.18170013 0.00197296 0.00417404 0.00066125 Xe 15.53644650 6.16236267 9.31435204 -0.00203149 0.00782390 -0.01311480 Xe 12.37871585 9.34434620 9.24073438 -0.01291008 -0.03166266 0.01727635 Xe 0.01782322 12.43222968 6.22979832 -0.01055209 -0.02977112 -0.01311214 Xe 3.13017331 15.42885738 6.24274026 0.00996894 0.02723581 -0.01671298 Xe 3.08471537 12.41020042 9.25613275 0.02021300 -0.02408056 0.02239194 Xe 0.02327909 15.51521034 9.25190668 -0.00778562 0.01025712 0.01468433 Xe 6.22394922 12.41941005 6.15986749 -0.00340388 -0.02738028 0.01350126 Xe 9.26432599 15.51400120 6.24610742 0.01513986 -0.00127121 -0.01607045 Xe 9.23241019 12.36561750 9.34833853 0.01143623 -0.01872101 -0.01384517 Xe 6.24101657 15.43719927 9.30961598 -0.01620424 0.01637880 0.01063675 Xe 12.40051090 12.32725510 6.23323637 -0.01853256 0.02201046 -0.02734040 Xe 15.53477425 15.53273637 6.20402115 -0.00348352 -0.00405948 -0.00846125 Xe 15.42114871 12.43564016 9.29425794 0.03666575 -0.01732397 -0.00360667 Xe 12.41174765 15.44782717 9.25452485 -0.02538857 0.02027493 0.00563148 Xe 0.00203671 0.03885484 12.35750309 -0.00168637 -0.00799123 -0.00378909 Xe 3.08962070 3.10111180 12.36574166 0.02494865 0.00525430 -0.00856366 Xe 3.19201574 0.02698768 15.43695220 -0.01114261 -0.01046949 0.00875330 Xe 0.03014819 3.16333433 15.46129000 -0.01396603 -0.02045168 0.01856476 Xe 6.22987121 0.02385397 12.34703948 -0.00558180 -0.01631797 0.00147358 Xe 9.28951743 3.08934317 12.35567776 0.00324096 0.03170216 0.00636156 Xe 9.24975929 0.02955784 15.53891534 0.00903280 -0.00919377 0.00348320 Xe 6.23694109 3.06463686 15.45082430 -0.00426394 0.03565777 0.00596392 Xe 12.32318178 0.02034158 12.44070199 0.00508797 -0.01401208 -0.01559929 Xe 15.47903527 3.08918430 12.41851714 0.00789668 0.01008368 -0.01467297 Xe 15.48176083 0.01336732 15.50696942 0.00570959 -0.00875326 0.00278316 Xe 12.44421772 3.09272663 15.50048200 -0.03208619 0.01364867 0.00584720 Xe 0.06149386 6.14410967 12.41633954 -0.02975956 0.02180419 -0.02427971 Xe 3.07355347 9.24053690 12.33323637 0.01168150 0.02706545 0.01478418 Xe 3.10367527 6.13393738 15.45626374 0.02438986 0.01961912 0.01583322 Xe 0.02336717 9.32865168 15.54000247 -0.00256794 -0.01227641 -0.00446501 Xe 6.19507194 6.23411433 12.34612527 -0.00089012 -0.02890613 0.00409382 Xe 9.25556597 9.22967976 12.39383300 0.01644800 0.02449264 -0.01995654 Xe 9.34512070 6.19622312 15.51126311 -0.00171183 -0.00853288 -0.00380671 Xe 6.21128805 9.23224041 15.44043192 -0.01184787 0.01608869 0.01676683 Xe 12.39852166 6.23126543 12.29933924 -0.01009413 -0.00719627 0.01424104 Xe 15.49530319 9.33024741 12.35638976 0.00573081 -0.01244706 -0.00387485 Xe 15.46174646 6.16788661 15.53359826 0.00618988 0.01308514 -0.00557965 Xe 12.42355340 9.32316028 15.51259648 -0.01418093 -0.01063279 -0.00524510 Xe 0.03264682 12.42580627 12.40541849 -0.02047345 -0.02347812 -0.02871845 Xe 3.10020101 15.46760059 12.44315792 0.01013434 0.02722610 -0.02899817 Xe 3.04125746 12.42404070 15.44865262 0.03874011 -0.03197772 0.02821509 Xe 0.02240151 15.43387200 15.53369531 -0.01574595 0.01671316 0.00819945 Xe 6.13183595 12.39987707 12.44151091 0.01447207 -0.03472512 -0.03035455 Xe 9.32510515 15.42772598 12.41449298 -0.00157346 0.02340414 -0.03116194 Xe 9.34964536 12.40189907 15.43915282 -0.00968423 -0.03060386 0.01640157 Xe 6.29115412 15.45740369 15.45234701 -0.01541073 0.01377127 0.01993549 Xe 12.40516340 12.39286125 12.35522878 -0.01374579 -0.02472409 0.00132907 Xe 15.43996590 15.52715826 12.43340249 0.01892319 0.00181716 -0.01799651 Xe 15.53178169 12.33617186 15.52197643 0.00267803 0.00536237 -0.00098618 Xe 12.41434017 15.48102640 15.42295012 -0.00804697 0.00748536 0.02644780