256 Lattice="34.88534168127628 0.0 0.0 0.0 34.88534168127628 0.0 0.0 0.0 34.88534168127628" Properties=species:S:1:pos:R:3:forces:R:3 energy=-112.05647409588603 stress="-2.9209754377983615e-05 -1.6246684440462721e-06 -5.617841044079926e-08 -1.6246684440462721e-06 -2.8964853057550314e-05 1.1248604285680688e-06 -5.617841044079926e-08 1.1248604285680688e-06 -2.8298363867502348e-05" free_energy=-112.05647409588603 pbc="F F F" Cs 0.06164332 0.05880174 0.02680177 -0.04109183 -0.03798061 -0.03892381 Cs 4.35420511 4.36760796 0.06156357 0.05084476 0.04277038 -0.07880000 Cs 4.33478734 0.02627842 4.32148125 0.05112564 -0.07488690 0.05286981 Cs 0.03633937 4.43635371 4.32005120 -0.07899527 0.03339097 0.05782531 Cs 8.74728567 0.04715642 0.04014126 0.00896389 -0.04815316 -0.05318242 Cs 13.10431425 4.44786616 0.06488193 0.00049135 0.03536812 -0.07843328 Cs 13.08192598 0.00498754 4.32659520 0.01167250 -0.06159648 0.05440105 Cs 8.79477573 4.43532252 4.27878029 0.00114781 0.05586295 0.08337067 Cs 17.48833563 0.03378969 0.04369615 -0.00421963 -0.04986631 -0.04753864 Cs 21.77504044 4.37580388 0.06888403 -0.00154372 0.04527542 -0.06815547 Cs 21.86018918 0.08534200 4.41765396 -0.02693916 -0.06724272 0.04274695 Cs 17.37514515 4.39815189 4.28292846 0.00783200 0.05498228 0.10095224 Cs 26.12491569 0.04250169 0.05046654 -0.03444657 -0.05745529 -0.06195597 Cs 30.56087445 4.29754832 0.08206906 0.04848319 0.05253383 -0.06207427 Cs 30.54962631 0.03436992 4.28453294 0.05336621 -0.06347254 0.05154308 Cs 26.16480332 4.34477859 4.42340666 -0.05392873 0.07170085 0.05120430 Cs 0.07853263 8.67036462 0.02868817 -0.05722392 0.01826000 -0.05337888 Cs 4.33150684 13.00794672 0.02478231 0.06049098 0.02247269 -0.05908406 Cs 4.37930680 8.80849752 4.38603059 0.06627284 0.00314198 0.06908662 Cs 0.07682559 13.10203725 4.39918718 -0.07217724 0.00023605 0.03627885 Cs 8.67022466 8.64856650 0.04418021 0.01843578 0.02806913 -0.05715353 Cs 13.03767592 13.02256854 0.00259451 0.00639636 0.00644307 -0.04751561 Cs 13.16228065 8.70813310 4.31972186 -0.01202492 0.02358819 0.09030619 Cs 8.76917751 13.03896349 4.36630340 0.01796853 0.02091676 0.07316173 Cs 17.49794295 8.65761408 0.07401728 -0.00211744 0.03386391 -0.06169976 Cs 21.82472966 13.05392380 0.08424606 -0.03486419 0.00907333 -0.05219138 Cs 21.81559263 8.65936016 4.38032211 -0.02324251 0.02862694 0.09126007 Cs 17.36023739 13.05367804 4.30998855 0.02185779 0.00904641 0.08091535 Cs 26.07745451 8.78470900 0.05250584 -0.02728573 -0.00578289 -0.05995691 Cs 30.54648289 13.04471331 0.04377098 0.04806585 -0.00178458 -0.04141988 Cs 30.51200992 8.69412427 4.44752838 0.05382586 0.02371966 0.03929276 Cs 26.13336824 13.15045027 4.31053875 -0.05221935 -0.01553412 0.09475600 Cs 0.08594413 17.51823350 0.06072258 -0.05176902 -0.01168136 -0.04992490 Cs 4.36387745 21.79043754 0.05710063 0.05088985 -0.00224321 -0.06633901 Cs 4.28744638 17.50160077 4.43677359 0.09423637 -0.01294716 0.05326605 Cs 0.06508186 21.85285105 4.38217659 -0.06968943 -0.01284152 0.05066758 Cs 8.75876983 17.45144185 0.04611182 0.00285469 -0.01530637 -0.03913364 Cs 13.02221727 21.80932910 0.02427282 0.01694989 -0.01756899 -0.04546127 Cs 13.15405182 17.48349862 4.37732266 -0.01731266 -0.00879219 0.08689192 Cs 8.68655004 21.77364559 4.33907383 0.02269844 -0.02245840 0.09764325 Cs 17.41131433 17.49858694 0.06349157 0.00493640 -0.00909188 -0.04894424 Cs 21.86342192 21.85831863 0.02687297 -0.01752955 -0.02788070 -0.05059194 Cs 21.87569794 17.44138818 4.28742014 -0.03337811 -0.00339663 0.08727090 Cs 17.41476983 21.75563053 4.42758307 -0.00428374 -0.00729801 0.06044175 Cs 26.19100079 17.39567949 0.01288499 -0.04482559 0.01286043 -0.07105172 Cs 30.57826713 21.90333967 0.06640893 0.04247040 -0.01588699 -0.05974029 Cs 30.50403943 17.51642015 4.32850476 0.06527272 -0.02066060 0.05519502 Cs 26.23578247 21.81935739 4.36773516 -0.08428457 -0.01873131 0.06209386 Cs 0.01013646 26.24752963 0.01379647 -0.05648238 -0.04575205 -0.05801713 Cs 4.31383127 30.53107730 0.02439541 0.05007183 0.05507465 -0.05887543 Cs 4.38551369 26.22625271 4.38081279 0.06369549 -0.07187133 0.05098559 Cs 0.01618460 30.51899212 4.35077416 -0.05960741 0.06329418 0.04070647 Cs 8.80319981 26.07683372 0.02110996 -0.00339918 -0.02770281 -0.06559099 Cs 13.14763119 30.53420531 0.03255794 -0.00352277 0.04094811 -0.04114246 Cs 12.99564642 26.13339153 4.40951279 0.02439122 -0.06615963 0.06405617 Cs 8.72105313 30.44745422 4.39763899 0.01287526 0.06803257 0.03541815 Cs 17.43740016 26.10857915 0.03771965 -0.00875230 -0.04499796 -0.05182592 Cs 21.76347161 30.59380406 0.00908844 -0.00748812 0.04340831 -0.04301657 Cs 21.75639381 26.10497603 4.30948285 -0.01113057 -0.04515684 0.08758071 Cs 17.47465994 30.59880023 4.39301464 -0.00784959 0.04251722 0.05504339 Cs 26.12596139 26.24420692 0.02640726 -0.03538423 -0.03985972 -0.07207404 Cs 30.58939585 30.55647720 0.00649311 0.02729986 0.02730028 -0.02516113 Cs 30.51537672 26.11022526 4.36846067 0.07641279 -0.02003671 0.04519969 Cs 26.17303453 30.55817870 4.43473852 -0.04669873 0.06470428 0.03354903 Cs 0.04520605 0.01134784 8.77108074 -0.05461268 -0.04278238 -0.00081125 Cs 4.35413433 4.33078152 8.67361179 0.07124242 0.07319273 0.02185049 Cs 4.29959771 0.00376417 13.05532887 0.07148660 -0.05855753 0.00039493 Cs 0.01783803 4.38065696 13.15784646 -0.06360897 0.04925540 -0.01736686 Cs 8.77316365 0.06675966 8.63386435 0.00498733 -0.05016772 0.02811195 Cs 12.99699472 4.33131876 8.72099137 0.01772006 0.08606348 0.02727810 Cs 13.13971701 0.00794370 13.15859186 -0.00304935 -0.04692671 -0.01252847 Cs 8.69801261 4.34993126 13.13270881 0.01780089 0.06630010 -0.01633916 Cs 17.51321186 0.07990402 8.73312103 -0.01645081 -0.04828387 0.00909372 Cs 21.78073720 4.33076783 8.75436642 -0.02320077 0.08789966 0.00902843 Cs 21.82631599 0.03589895 13.17205788 -0.01249143 -0.05230970 -0.00805195 Cs 17.50472677 4.34560488 13.04148335 -0.01154813 0.08539752 0.00908091 Cs 26.10244836 0.08460700 8.73736538 -0.03052515 -0.07162903 0.01703004 Cs 30.54966861 4.37696135 8.74328998 0.06558234 0.03556868 0.00973873 Cs 30.54620299 0.01222719 13.10109775 0.04055393 -0.04265068 -0.00046489 Cs 26.17638454 4.39311319 13.00412679 -0.06638145 0.05409826 0.02063669 Cs 0.03616631 8.73378342 8.67257554 -0.04558505 0.01377659 0.03203928 Cs 4.34568352 13.16558950 8.68597864 0.09040796 -0.02465160 0.02983674 Cs 4.34673597 8.67380600 13.13853065 0.07802365 0.03239941 -0.02456995 Cs 0.07600773 13.16205360 13.10107694 -0.05505333 -0.01680743 -0.00441993 Cs 8.65164589 8.71539027 8.64345088 0.03440888 0.02341333 0.04145640 Cs 13.20156307 13.00020484 8.66129047 -0.01690807 0.01374679 0.04632471 Cs 13.01033010 8.67868825 13.20258871 0.01575881 0.02763468 -0.03240952 Cs 8.70967759 13.00186128 13.11520451 0.03301082 0.01741861 -0.00642937 Cs 17.39662791 8.69759449 8.77371937 -0.00051519 0.01462044 0.01932219 Cs 21.75898240 13.00823164 8.73481167 -0.02032892 0.01242294 0.01463128 Cs 21.83882103 8.64724696 13.04906317 -0.03034000 0.03180445 0.01740568 Cs 17.46728489 13.04656444 13.15817195 -0.00888611 0.00816270 -0.01684356 Cs 26.17339458 8.70079783 8.74023524 -0.08189935 0.02639856 -0.00235603 Cs 30.52235106 13.08881535 8.84234502 0.05046811 0.00954551 -0.01352149 Cs 30.44482477 8.69905657 13.03425636 0.06420677 0.01295607 0.01869848 Cs 26.24790243 12.99596367 12.99325935 -0.10338968 0.01622828 0.01805479 Cs 0.07102424 17.36569287 8.74656384 -0.06491813 0.01700407 0.01048442 Cs 4.33615542 21.84829554 8.76029961 0.08226056 -0.02596225 0.00984942 Cs 4.36744238 17.37841684 12.98319282 0.08926748 0.01492925 0.02494611 Cs 0.07052365 21.78920117 13.04518265 -0.04968122 -0.01871997 0.00960794 Cs 8.70996844 17.39248981 8.73011438 0.03607744 -0.00100357 0.01044960 Cs 13.11833146 21.85170464 8.81432176 -0.01826050 -0.03327132 -0.00359206 Cs 13.06238939 17.52334866 12.95927981 0.00154923 -0.02967482 0.02111206 Cs 8.67266236 21.80176855 13.03485379 0.02141780 -0.02065095 0.02055247 Cs 17.52993118 17.45345238 8.68002864 -0.00597605 -0.02384488 0.03039894 Cs 21.77191652 21.79080891 8.63852902 0.00093385 -0.01473524 0.03888764 Cs 21.85294360 17.41245626 13.11205864 -0.03519297 -0.01602953 -0.00793056 Cs 17.42457832 21.75520159 12.99522259 0.00672909 -0.02395721 0.03329066 Cs 26.18546124 17.39929908 8.69732409 -0.08341377 0.00120065 0.02615588 Cs 30.49944067 21.78428961 8.69028578 0.04964683 -0.02075448 0.03267604 Cs 30.51767275 17.45829817 13.15436176 0.04784896 0.00183905 -0.00981359 Cs 26.10609363 21.70662943 13.16280678 -0.06974439 0.01012490 -0.02211800 Cs 0.04181217 26.17561242 8.66172602 -0.06926883 -0.04041589 0.02857517 Cs 4.39580782 30.50141148 8.74153834 0.04795618 0.07115212 0.02006259 Cs 4.38814674 26.21743538 13.01591951 0.06563317 -0.06684317 0.02430543 Cs 0.03420019 30.60153747 13.17085510 -0.04415962 0.03988879 -0.01027768 Cs 8.68995338 26.15168878 8.76799685 0.02468402 -0.07458130 0.01921925 Cs 13.02052462 30.47834579 8.71017865 0.01454533 0.04832359 0.01892893 Cs 13.10628863 26.17467582 13.04714568 -0.00379138 -0.07920881 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30.47083659 21.83160211 0.01089955 0.06230780 -0.02562249 Cs 26.23262401 26.23321460 17.52596517 -0.07918870 -0.07784811 -0.02767537 Cs 30.48982664 30.60365744 17.46414519 0.04324446 0.04027756 -0.00522142 Cs 30.50107612 26.10210536 21.87643964 0.07108444 -0.03642728 -0.02096869 Cs 26.14964514 30.45953234 21.83822305 -0.04349702 0.07227863 -0.00298450 Cs 0.05302243 0.03387357 26.19151054 -0.05393072 -0.05835459 -0.03750402 Cs 4.41064499 4.37423687 26.08536860 0.05414850 0.04784743 -0.03724445 Cs 4.39387654 0.04796859 30.56274011 0.03451469 -0.05616984 0.05002930 Cs 0.01706206 4.36293959 30.50271122 -0.05365650 0.03802448 0.05429711 Cs 8.81641953 0.01416256 26.12753798 -0.00464760 -0.06830020 -0.04148579 Cs 13.16657152 4.30107862 26.24843091 -0.00937404 0.09380509 -0.09324609 Cs 13.04205650 0.03840503 30.51096030 0.00891148 -0.05303231 0.05816689 Cs 8.72423600 4.31801005 30.43850771 0.01132898 0.05401861 0.06476918 Cs 17.41022520 0.03971802 26.18911771 0.01166661 -0.06637970 -0.06040559 Cs 21.80836996 4.37184268 26.10021340 -0.01046997 0.06127465 -0.05380895 Cs 21.73063054 0.01984582 30.54831671 -0.00155373 -0.04303976 0.04360483 Cs 17.48445347 4.39585250 30.52269140 -0.00033213 0.04555456 0.06382671 Cs 26.16279660 0.04008388 26.22642208 -0.04642567 -0.07477275 -0.05075071 Cs 30.49668792 4.42891832 26.11449917 0.07768002 0.03070254 -0.04499621 Cs 30.60851926 0.07851408 30.46535550 0.03690931 -0.03414554 0.03181701 Cs 26.23110394 4.36354625 30.57984295 -0.06187543 0.03500400 0.07284137 Cs 0.08229684 8.70428983 26.12657194 -0.06145906 0.01971743 -0.03700589 Cs 4.42737465 13.05843222 26.11853245 0.05497698 -0.00240030 -0.06506209 Cs 4.43508860 8.68189789 30.55778665 0.03845076 0.01606500 0.06284288 Cs 0.06615933 13.06701290 30.47403269 -0.04683662 -0.00567514 0.04661820 Cs 8.64382608 8.72769465 26.20887807 0.05740035 0.01265711 -0.08065990 Cs 13.03965525 13.19465642 26.09561425 0.02255906 -0.02774041 -0.05905398 Cs 13.08390412 8.64989088 30.59083641 -0.00414292 0.03318792 0.03203854 Cs 8.71764632 13.13072477 30.46744459 0.02104490 -0.00933862 0.05459481 Cs 17.44482045 8.71185802 26.18614141 -0.01392401 0.02301365 -0.08027497 Cs 21.66121741 13.14099115 26.15394572 0.00878989 -0.02557819 -0.06982427 Cs 21.79763300 8.71211683 30.51073440 -0.00492065 0.01765507 0.04270604 Cs 17.44857345 13.06831344 30.55843565 -0.01858637 -0.00070463 0.04147098 Cs 26.23844127 8.71396576 26.23495594 -0.09061734 0.03186353 -0.08969360 Cs 30.59097909 13.00949860 26.15166490 0.05108468 0.01756100 -0.06531972 Cs 30.47921260 8.65460301 30.47273616 0.06246206 0.01576839 0.06138236 Cs 26.23139097 13.07165209 30.51210658 -0.05730993 0.00348114 0.05678804 Cs 0.05737616 17.36553948 26.12100113 -0.06664070 0.01626822 -0.03734506 Cs 4.31966966 21.85265950 26.19564348 0.08102473 -0.03990099 -0.06707815 Cs 4.32576410 17.40462284 30.45084952 0.05502485 0.00773611 0.06316495 Cs 0.07629680 21.85566841 30.58706107 -0.05707397 -0.02401909 0.04558395 Cs 8.67151138 17.34936210 26.14964146 0.02011101 0.02896639 -0.07771650 Cs 13.05184663 21.86535145 26.13376275 0.01268906 -0.03093730 -0.08244249 Cs 13.03586762 17.44555523 30.50946335 0.01513745 -0.00651430 0.03874309 Cs 8.81289827 21.74163413 30.47323774 -0.00351004 -0.01271034 0.04671497 Cs 17.48587947 17.44276898 26.22395217 -0.02194257 0.01721947 -0.08879031 Cs 21.87069337 21.79641720 26.08336213 -0.03522800 -0.02554844 -0.06228807 Cs 21.81038891 17.37007450 30.47551013 -0.01615449 0.01679697 0.05189064 Cs 17.32659449 21.88429012 30.54857964 0.01618705 -0.03551047 0.03319806 Cs 26.11059098 17.30952365 26.10499606 -0.03786538 0.01163218 -0.06529971 Cs 30.55080032 21.86413192 26.19670149 0.04889930 -0.03127422 -0.04909483 Cs 30.55019558 17.48082734 30.49594819 0.04237776 -0.00621649 0.03710393 Cs 26.16490470 21.76705637 30.57154314 -0.05331307 -0.00942849 0.04998833 Cs 0.08674501 26.07959376 26.12750097 -0.08314190 -0.02304301 -0.04256359 Cs 4.40595415 30.51766600 26.15141541 0.03442580 0.06868550 -0.03887973 Cs 4.36021005 26.07974363 30.55315689 0.05870329 -0.02828341 0.07465846 Cs 0.03415166 30.48168176 30.54543207 -0.03018850 0.02860287 0.02665756 Cs 8.68496694 26.10112621 26.13198075 0.03181188 -0.05208594 -0.05680871 Cs 13.07265618 30.50415613 26.11460966 -0.00609461 0.05004018 -0.02701430 Cs 13.09783580 26.11438120 30.60489322 -0.00716904 -0.02508134 0.04306757 Cs 8.67216610 30.57436789 30.55465008 0.01695070 0.03441019 0.03909428 Cs 17.51712196 26.18852637 26.07887264 -0.02592604 -0.08659545 -0.05145308 Cs 21.69629459 30.45434999 26.19971653 0.00476848 0.07713865 -0.04906432 Cs 21.68458337 26.11019067 30.43780778 0.00469033 -0.04641878 0.06850242 Cs 17.40509630 30.58202062 30.54363868 -0.00803953 0.04054574 0.04311443 Cs 26.15091377 26.18916108 26.17179910 -0.05739175 -0.05914995 -0.04122305 Cs 30.47637280 30.60602534 26.10623750 0.05556766 0.05247018 -0.02539353 Cs 30.56216553 26.17948554 30.53260878 0.04917277 -0.02602827 0.05124671 Cs 26.16316486 30.57276775 30.56974495 -0.03834304 0.04442422 0.04879974