108 Lattice="13.056663281691694 0.0 0.0 0.0 13.056663281691694 0.0 0.0 0.0 13.056663281691694" Properties=species:S:1:pos:R:3:forces:R:3 energy=-123.77855338726383 stress="-0.008995289490723701 0.00017996744748842778 -0.0030468713590884712 0.00017996744748842778 -0.009397676871537742 0.004798260785437223 -0.0030468713590884712 0.004798260785437223 -0.006266549812005101" free_energy=-123.77855338726383 pbc="F F F" Xe 0.02779286 0.00747706 0.02338802 -0.91178680 -0.89678405 -0.85462596 U 2.18613413 2.14283822 0.01628446 0.85542927 0.98762795 1.00907576 U 2.15736882 0.04128456 2.21641586 0.57241915 1.01675862 0.79156733 Mo 0.00449860 2.21258015 2.20592238 1.08496002 0.93054947 -0.08278034 Mo 4.36443703 0.02200107 0.03313955 -0.07102311 1.25996824 2.03281391 Mo 6.55218888 2.18770271 0.01955415 -0.98094346 -0.67870371 1.33994511 U 6.50787610 0.01230696 2.17562785 0.64158647 1.01737177 -1.49937064 Xe 4.34855613 2.18126650 2.16181565 0.09445436 -0.60550108 -1.78046783 Mo 8.69202931 0.00397671 0.03477865 0.33270460 2.25485833 1.90256247 Mo 10.84667757 2.19403011 0.00386637 -1.16306011 -0.46647956 2.92555818 U 10.85609709 0.01118309 2.17557540 -2.10672571 1.92457623 0.11917308 U 8.71460600 2.19824900 2.15906983 1.24308525 -1.15187591 -1.42083190 Mo 0.02843538 4.37666966 0.01486086 1.10293429 -2.01086556 1.10239161 Xe 2.17203270 6.55175197 0.03874447 1.68756352 -1.25702858 -3.16899783 U 2.19979200 4.33557298 2.15474551 -0.34320068 -1.48292766 -0.53356779 Xe 0.04021644 6.51161674 2.20543151 -4.04371994 -0.81858967 0.89027192 Mo 4.33407558 4.31651549 0.03114522 1.23243540 -0.09931441 1.67049655 U 6.51966030 6.54173027 0.00469466 -1.06272344 -0.72155667 0.91804562 U 6.54037460 4.30479599 2.20293336 -0.80800280 -0.32752530 -1.87672579 U 4.33878196 6.45362856 2.16520516 1.15694689 0.68820239 -1.11000651 Xe 8.72209707 4.35071711 0.00445558 -0.01022167 0.30024290 -1.93515168 U 10.89193007 6.55016067 0.00600468 -0.66130176 -2.20280670 1.67605508 Mo 10.90432667 4.35218496 2.17277516 -0.62806362 -0.28429952 -0.06098131 U 8.70665837 6.49621910 2.13482166 0.58830132 -0.79092916 0.40475802 Xe 0.03133451 8.74741724 0.03429307 -3.48244982 -0.74638227 -3.63025020 Xe 2.18021921 10.89221057 0.03072485 2.24844650 2.55714060 -2.70142961 Mo 2.17754062 8.71365311 2.18190809 2.63340484 0.79795744 0.99999670 Xe 0.03469995 10.86578944 2.15841414 -2.27971723 2.48991224 2.66883271 Mo 4.38981617 8.73721644 0.01686121 0.87199832 -0.85213597 2.50422782 Xe 6.56734708 10.90373202 0.01560360 -2.18068496 2.17648058 -2.45334753 U 6.49252447 8.77601510 2.17978144 -1.59991669 -0.49898239 0.71543392 Mo 4.36003569 10.87959502 2.16918638 0.01124010 -2.02079826 1.19288369 Xe 8.72922021 8.66379069 0.00452521 -1.50207623 -2.82264341 -3.40248849 Xe 10.85347853 10.85273912 0.01561943 3.37728948 3.49864710 -3.25045071 Xe 10.88888159 8.70393026 2.15784825 3.20874013 -2.26396162 2.62765995 Xe 8.71803827 10.88352273 2.13613387 -1.00560701 3.35429018 3.96272046 Mo 0.01032654 0.01044038 4.35410213 2.03831879 1.20767971 0.03629550 Xe 2.20856039 2.17797718 4.35335981 -1.69820690 -0.59128632 0.76322947 Mo 2.15892832 0.06807991 6.52678143 0.95137959 0.27186597 -1.17953231 Mo 0.00178643 2.19332573 6.48538148 0.77462526 1.56636196 -1.08815424 U 4.33411462 0.04231996 4.33942204 -1.00464942 0.43478878 -0.21145688 Xe 6.55180259 2.20303221 4.32697003 -1.79109605 -0.72141565 -0.63095290 Xe 6.53612716 0.01421380 6.51621258 -2.14185348 -3.84043781 0.10042161 Mo 4.28310703 2.18559210 6.52203446 0.43475309 0.61080830 0.87015832 Mo 8.70729106 0.07646369 4.34982534 1.61399819 0.16645193 -1.36846146 U 10.81773709 2.14902134 4.32310840 0.14617862 -0.77338294 -1.64230965 U 10.86652673 0.01966918 6.55866707 -0.22621522 1.24286919 -1.39916287 Xe 8.69316004 2.20911174 6.52169305 1.73525118 -0.77379129 1.21514351 Mo 0.00171516 4.32859211 4.36519167 1.14688682 -0.32412581 1.03823805 Xe 2.19632505 6.49824191 4.39333538 -1.03095595 -1.07565046 -0.37838631 Mo 2.18495931 4.37085570 6.49572689 -0.63069583 0.63910804 0.80036740 U 0.03027144 6.49202084 6.54114239 1.07158014 -2.21601115 0.70392047 U 4.29623082 4.38341688 4.33342786 -0.14663059 -1.12013546 0.43856067 Xe 6.54703086 6.48862649 4.37666266 -1.88858785 1.04588761 -1.60878463 U 6.55254500 4.31037684 6.53072939 -2.24771744 0.76175724 1.47394033 U 4.30383284 6.56278823 6.55655636 -0.13819003 -1.50876068 1.62476786 Xe 8.68668791 4.38486523 4.38287005 1.72591363 -0.64574650 -3.51290981 Mo 10.88914037 6.52904692 4.31244118 -0.95067156 0.29133819 -0.92569216 Xe 10.86405275 4.41817993 6.52475695 4.96923476 -0.69037191 0.37126570 Xe 8.66025016 6.54553639 6.55139008 0.46064836 1.09323855 0.72884828 U 0.00803613 8.73944681 4.37853910 0.50075414 -0.65906383 -0.27936053 U 2.18206488 10.90531575 4.35080972 1.12608961 -0.72768098 -0.69841063 Xe 2.14512579 8.74782243 6.53731136 0.42907555 -1.27785988 0.05206794 Xe 0.01258462 10.86581835 6.55698972 -2.35339822 3.58502436 -1.31570848 Xe 4.32911326 8.68203824 4.36599862 1.24466868 1.33212273 -2.02020926 Mo 6.47598676 10.86548185 4.34972391 0.11027296 -1.32346287 -0.28684489 U 6.53300674 8.69371317 6.56209871 0.56016751 1.30802454 0.05337931 Xe 4.35977221 10.86894704 6.54769950 0.60498575 3.71304888 0.81241547 U 8.67294606 8.67732451 4.38356500 1.28225335 1.64644658 0.59768541 Mo 10.83768716 10.86446374 4.38493748 -1.17808091 -1.14752691 1.76184165 Mo 10.90118001 8.71751227 6.51315624 -1.10428387 0.95523074 -0.70374945 U 8.66342702 10.87942575 6.53724623 0.94101089 -0.78090615 0.04950918 Xe 0.03656419 0.03689751 8.72639897 -2.00248568 -1.90484730 0.05083040 Xe 2.18050429 2.21827793 8.67319384 -0.54262124 -0.90262402 -1.02533308 U 2.17513307 0.04216596 10.87100664 0.22239154 0.24996538 -0.71448447 Mo 0.03338967 2.18979394 10.91138719 0.55395016 -0.28575034 -0.25680092 Mo 4.43373797 0.02126262 8.69073396 -0.49725301 1.05517128 -0.35518859 U 6.56123748 2.16915502 8.68494241 -0.69467983 0.95731880 2.00245460 Mo 6.56670156 0.01975898 10.88418355 -0.50634602 1.15523015 -1.42255477 Xe 4.31631640 2.15828138 10.87866435 2.20357338 -1.37544386 2.29311728 Xe 8.70205133 0.03520071 8.73931446 -0.09853910 -2.67679446 0.64631271 Mo 10.88033074 2.20184415 8.73829984 -1.04020398 1.43044121 0.47625542 Xe 10.87888912 0.04015665 10.88371571 1.89368084 -1.07386591 2.03440539 Mo 8.72106791 2.15051764 10.87952052 -1.14732416 2.32840122 -1.36124498 Mo 0.02968860 4.33253000 8.67418767 0.91343024 1.01511021 -0.24977760 Mo 2.17489851 6.52048138 8.76863061 0.76534581 -1.96362199 -0.72466600 Xe 2.19040036 4.33234542 10.88622719 -1.59498282 1.92346564 2.97176768 Mo 0.00471636 6.57099504 10.85749809 0.08097882 -0.25923766 -2.09409313 U 4.31894289 4.32716845 8.71438032 0.83685223 1.12894198 -0.91785285 U 6.48922722 6.49483826 8.70402914 -1.04225415 -0.73310612 1.14966674 Mo 6.48970161 4.35590503 10.88878782 1.35595582 0.95559609 -2.19806753 Mo 4.38840529 6.54389757 10.90446196 1.66417041 -1.17280840 -2.78818104 U 8.70740651 4.39363637 8.70604954 -0.34152059 -0.61994877 2.70822611 U 10.88326678 6.55104292 8.67531915 -0.44975937 1.07193042 0.86168437 U 10.92017684 4.35411234 10.85464485 -1.56717912 0.68046203 -1.23517443 U 8.68623223 6.52930489 10.83108905 0.08783401 -0.95958140 -0.29459801 Xe 0.01050767 8.68384627 8.66636803 -4.08182307 -0.88449280 2.25338384 Mo 2.17232651 10.83624983 8.72079294 0.89290435 0.41676259 1.74112709 Xe 2.14060462 8.68746958 10.90971307 0.41219310 0.51012016 2.70033942 U 0.00896340 10.90724110 10.89415053 1.61075981 -0.65882517 -0.71289203 U 4.28214485 8.74116608 8.72976889 0.84444023 0.19277816 1.22026850 Mo 6.52998404 10.89994394 8.69891079 -0.12778006 -0.90106610 0.58921844 Xe 6.54853583 8.71648920 10.89250742 -1.07915391 0.24160449 2.24974900 Mo 4.31322948 10.85421576 10.91490997 -0.23185811 -0.09699993 -2.64514033 Xe 8.73056019 8.74657736 8.69616430 0.98181894 0.82168840 0.63231535 Mo 10.89137610 10.85590975 8.71556617 -1.31443903 -2.24571244 0.31479431 U 10.87864293 8.69649335 10.92148628 -0.90808048 -0.35984334 -1.59316030 U 8.71493709 10.91725374 10.89254298 0.50847559 -0.98934749 -2.24167203