108 Lattice="27.10627358440924 0.0 0.0 0.0 27.10627358440924 0.0 0.0 0.0 27.10627358440924" Properties=species:S:1:pos:R:3:forces:R:3 energy=-37.05873196222149 stress="-3.249172059502676e-05 -1.424708375216819e-06 1.6411045193109578e-07 -1.424708375216819e-06 -3.2858981917574664e-05 -7.468022289087392e-06 1.6411045193109578e-07 -7.468022289087392e-06 -3.038384149376495e-05" free_energy=-37.05873196222149 pbc="F F F" Cs 0.01659324 0.03742272 0.00478619 -0.02005857 -0.01914102 -0.01764381 Cs 4.49889285 4.51190321 0.07069387 0.03708169 0.03869517 -0.05175860 Cs 4.55625206 0.01977678 4.49581893 0.03049295 -0.05470509 0.04143421 Cs 0.04785625 4.51900089 4.56796841 -0.05189440 0.03181971 0.03453504 Cs 9.01263386 0.03475198 0.00229390 0.01127704 -0.03050425 -0.03060347 Cs 13.52146916 4.55065193 0.04615406 -0.00842771 0.04146915 -0.03344702 Cs 13.53857148 0.07147836 4.58599479 -0.01070720 -0.03900668 0.03867710 Cs 8.98532960 4.45070353 4.51463250 0.02936668 0.08066538 0.06863563 Cs 18.09231975 0.08447850 0.04760340 -0.03631773 -0.04220180 -0.04012843 Cs 22.57144315 4.49407198 0.08600233 0.04299018 0.03642679 -0.03379540 Cs 22.59141704 0.00623316 4.51547985 0.03792873 -0.04273123 0.03027910 Cs 18.05675748 4.43374952 4.51491137 -0.05220195 0.07634723 0.05449497 Cs 0.03711162 9.01703625 0.02303232 -0.02715330 0.01220820 -0.02736843 Cs 4.59705115 13.61570475 0.01743352 0.02827084 -0.01531179 -0.03491550 Cs 4.46359480 9.02328836 4.52996664 0.06752470 0.01921530 0.06262421 Cs 0.07697355 13.57659636 4.55716710 -0.03679599 -0.01928656 0.03460806 Cs 8.97370796 9.00267023 0.06162196 0.01599983 0.01367473 -0.02477124 Cs 13.63828066 13.62774436 0.02360365 -0.02428784 -0.01418325 -0.02917907 Cs 13.59248233 9.17320628 4.43405019 -0.01608052 -0.00996920 0.07650092 Cs 8.97755864 13.51051511 4.50911923 0.01515641 -0.00420894 0.06153433 Cs 18.13171726 8.97017180 0.03849525 -0.04485020 0.01053164 -0.03331418 Cs 22.60069243 13.48381553 0.02400944 0.03009550 0.00310466 -0.03343201 Cs 22.64208910 9.18032181 4.56073236 0.02878027 -0.01338311 0.04029123 Cs 18.10260248 13.63510367 4.43843986 -0.06687433 -0.02167525 0.07088826 Cs 0.00837610 18.07840493 0.08909481 -0.03648859 -0.02994724 -0.03774013 Cs 4.53417456 22.56474944 0.02347939 0.02248649 0.03631889 -0.04050926 Cs 4.44747882 18.09486101 4.57357429 0.06651371 -0.05368750 0.04401626 Cs 0.04336628 22.64620029 4.50931511 -0.03831627 0.03632373 0.03134252 Cs 8.95217393 18.08705855 0.04052410 0.01525268 -0.04705543 -0.03387621 Cs 13.43633780 22.56664484 0.02596878 0.00473210 0.02583309 -0.03207397 Cs 13.44250654 18.12738643 4.50094286 -0.00096887 -0.06313276 0.06358243 Cs 8.96919603 22.66360904 4.44547768 0.00689686 0.03382839 0.05292512 Cs 18.10055818 18.05441580 0.03244890 -0.04002690 -0.02666812 -0.04701007 Cs 22.60690035 22.50744838 0.03598448 0.02224271 0.01896477 -0.02013731 Cs 22.53696398 18.05326093 4.58790846 0.05233882 -0.03566060 0.02977011 Cs 18.06820022 22.64408051 4.46222086 -0.04598753 0.03977097 0.03998435 Cs 0.06123087 0.00042136 9.06621866 -0.02900211 -0.02745778 -0.00001737 Cs 4.58101611 4.52641751 8.94797061 0.04910344 0.06838407 0.02393704 Cs 4.54138098 0.01136911 13.46696352 0.03970960 -0.03878898 0.00845529 Cs 0.05311260 4.46929282 13.56912171 -0.03290271 0.04413773 -0.01797944 Cs 9.02530361 0.04432895 9.08179218 0.02049611 -0.03150983 0.00182112 Cs 13.62101632 4.59164201 9.06671809 -0.03083693 0.06649591 -0.00455217 Cs 13.62054981 0.06773564 13.58317179 -0.01675793 -0.03507139 -0.01633917 Cs 8.96703780 4.44479928 13.42491129 0.01773033 0.07800281 0.00128421 Cs 18.09306382 0.07218404 9.06404684 -0.04227097 -0.04969716 0.00825295 Cs 22.51185884 4.45719311 8.97555945 0.04426177 0.05604594 0.01523660 Cs 22.66064204 0.09006690 13.64550933 0.02495953 -0.02674499 -0.00797460 Cs 18.03860045 4.45231163 13.50403535 -0.03835505 0.07306609 0.00741809 Cs 0.01084378 8.99108605 9.03281990 -0.01982380 0.01703609 0.01865707 Cs 4.51801190 13.63248437 9.07918786 0.05604869 -0.02426200 0.00813693 Cs 4.48178775 9.08846718 13.61555428 0.06736800 0.00185799 -0.02996320 Cs 0.04470321 13.62207299 13.59715243 -0.02715963 -0.01974274 -0.01238659 Cs 9.04495058 9.20431296 9.13356259 0.00563236 -0.01873724 -0.00762086 Cs 13.50580863 13.48552435 9.02473135 0.00427902 -0.00013616 0.01307098 Cs 13.49372141 8.96459657 13.56970716 -0.00772533 0.02468749 -0.00716788 Cs 8.94917454 13.60832902 13.47582625 0.02776184 -0.00951073 0.01336526 Cs 18.13913679 9.01142404 9.05297564 -0.07403499 0.01956658 0.00409321 Cs 22.52971353 13.53298077 9.02284569 0.02460600 -0.00247109 0.02075246 Cs 22.51311263 9.12456891 13.59839065 0.02249233 -0.00831486 -0.01515887 Cs 18.00903602 13.56374783 13.59741440 -0.06141575 -0.01225421 -0.02272998 Cs 0.01558248 17.99309358 9.00109866 -0.04238089 -0.02562494 0.01760707 Cs 4.50227291 22.50838857 8.99366032 0.04388074 0.03756873 0.01795589 Cs 4.44507858 18.13090438 13.63522974 0.06653231 -0.06640302 -0.02359540 Cs 0.03174760 22.63077488 13.58819815 -0.03314669 0.02617271 -0.01623577 Cs 9.00970569 18.06847343 9.01406580 0.01354181 -0.05643820 0.01213950 Cs 13.46028988 22.60658952 8.99811106 -0.00083918 0.02123584 0.00957216 Cs 13.55793130 18.13394823 13.49558023 -0.01305602 -0.07031715 -0.01177685 Cs 8.98406217 22.57014804 13.61163746 0.01422900 0.02567160 -0.01955914 Cs 18.07645803 18.02244573 8.98060126 -0.06978534 -0.04572676 0.01810302 Cs 22.54573330 22.62286894 8.95125625 0.02462781 0.02730160 0.01219856 Cs 22.57051065 18.13473175 13.53329137 0.03210371 -0.04554274 -0.01693117 Cs 18.05084660 22.62468509 13.56204056 -0.04164318 0.03006035 -0.01981635 Cs 0.06096167 0.07371681 18.11700567 -0.03596109 -0.04022366 -0.03807666 Cs 4.56374515 4.56647046 18.00154526 0.05633342 0.04567643 -0.04360724 Cs 4.50438604 0.01357223 22.52956444 0.03732094 -0.03608015 0.03560742 Cs 0.08158080 4.47097335 22.57829888 -0.03498396 0.03772344 0.03825773 Cs 9.11284845 0.05627325 18.10214488 -0.00927113 -0.04320220 -0.05785588 Cs 13.54902346 4.43285845 17.98518843 -0.00720997 0.07854089 -0.05316262 Cs 13.52995172 0.08075722 22.50363967 0.00342965 -0.03762084 0.03932161 Cs 9.10606383 4.44758008 22.50146316 -0.00527574 0.05959195 0.04322170 Cs 18.11026758 0.04098462 18.14003646 -0.03213447 -0.04848213 -0.04641294 Cs 22.64444854 4.59585615 18.11915839 0.04000465 0.03247364 -0.04933125 Cs 22.57797358 0.02282850 22.61740174 0.02108076 -0.01842863 0.01965302 Cs 18.07807717 4.51118526 22.50843715 -0.04220271 0.03530691 0.04885014 Cs 0.00670329 8.94602137 18.02090979 -0.04073373 0.01767154 -0.03213827 Cs 4.55624381 13.42226622 18.09707238 0.05655053 0.01073504 -0.05247827 Cs 4.48181796 9.10301511 22.60838176 0.04740327 -0.00882594 0.03453865 Cs 0.00149294 13.53776375 22.64449778 -0.02845542 -0.00424790 0.01774325 Cs 9.07414814 8.97753106 18.11282992 0.01952331 0.02210689 -0.06641251 Cs 13.58762972 13.61661718 18.05525528 -0.03186625 -0.01844809 -0.05982734 Cs 13.64310804 9.01602427 22.61223182 -0.02043185 0.01258819 0.01819501 Cs 8.99625573 13.57025535 22.67245388 0.01882473 -0.01104256 0.01290647 Cs 18.02767394 9.04630346 18.09729367 -0.05522435 0.00952312 -0.06570845 Cs 22.66647938 13.58181710 17.99663102 0.03043592 -0.01111369 -0.02719186 Cs 22.52499313 8.94656331 22.56825901 0.02908686 0.02120897 0.03062376 Cs 18.10539564 13.60387247 22.59163162 -0.03363369 -0.00924521 0.03155809 Cs 0.05893075 18.05273550 18.05606434 -0.04717825 -0.04500282 -0.02856033 Cs 4.49589945 22.54846628 18.00119656 0.04360971 0.05174404 -0.01761186 Cs 4.49146002 18.08314723 22.65543581 0.03845423 -0.04126670 0.03522170 Cs 0.00683879 22.54227155 22.49848327 -0.02139225 0.02283921 0.02072048 Cs 9.01720024 18.11896238 18.05674686 0.01191562 -0.07263761 -0.04995372 Cs 13.61592449 22.53717557 18.05884146 -0.01272479 0.03292824 -0.03414572 Cs 13.54812932 18.06096537 22.61824126 -0.00597736 -0.04196666 0.02908938 Cs 9.04420773 22.51019393 22.64744618 0.00378936 0.03039920 0.02070200 Cs 18.14199640 18.02740400 18.06858297 -0.05733717 -0.04428622 -0.04983255 Cs 22.56254685 22.62115023 17.99514081 0.03414311 0.03699958 -0.02424473 Cs 22.67773471 18.15533484 22.55168490 0.03507249 -0.03443515 0.03140814 Cs 18.11753597 22.54627583 22.61113262 -0.03120258 0.03322134 0.03226132