108 Lattice="27.024071372747763 0.0 0.0 0.0 27.024071372747763 0.0 0.0 0.0 27.024071372747763" Properties=species:S:1:pos:R:3:forces:R:3 energy=-38.797485342280986 stress="-2.1158727531917824e-05 -6.478994880520257e-07 -7.610716369118008e-06 -6.478994880520257e-07 -2.1289460920494198e-05 -2.3016631650231196e-07 -7.610716369118008e-06 -2.3016631650231196e-07 -2.3807025228422772e-05" free_energy=-38.797485342280986 pbc="F F F" Cs 0.03594809 0.01125750 0.05285521 -0.01906218 -0.01812529 -0.01744263 Cs 4.48626848 4.53390751 0.03153151 0.04205887 0.03091687 -0.04944456 Cs 4.48463543 0.02903120 4.57589141 0.03441753 -0.05284824 0.02715419 Cs 0.07787747 4.56033524 4.54115968 -0.05748946 0.03166727 0.03580429 Cs 9.09134933 0.05489497 0.08081363 -0.01312830 -0.03641517 -0.04123952 Cs 13.53166803 4.43793121 0.07304347 -0.00948385 0.05999057 -0.04577517 Cs 13.42249066 0.03601505 4.44502757 0.01238153 -0.04205153 0.06401947 Cs 9.00640023 4.41451691 4.46649709 0.00829403 0.08464827 0.06395210 Cs 17.99725587 0.02286033 0.04399557 -0.02857651 -0.03910628 -0.03811717 Cs 22.55203446 4.44891161 0.06372967 0.03604326 0.03494173 -0.04037320 Cs 22.43964752 0.04851047 4.49896643 0.04459927 -0.03812682 0.03021457 Cs 18.00515142 4.58250180 4.45760961 -0.04942411 0.04286530 0.06439298 Cs 0.02775555 9.03609439 0.04870140 -0.03220002 0.00868174 -0.02935186 Cs 4.47536619 13.55365357 0.04560492 0.05340421 -0.01307441 -0.03515077 Cs 4.47432755 8.98905051 4.48795991 0.06500660 0.01499044 0.05455718 Cs 0.01202473 13.55263955 4.58682511 -0.03615293 -0.01434169 0.03463850 Cs 8.99796832 8.98904096 0.02518380 0.01490123 0.01099608 -0.02247872 Cs 13.55939580 13.54157424 0.08232096 -0.01371904 -0.01310890 -0.03223046 Cs 13.57360434 9.00932332 4.49362868 -0.03095976 0.01245130 0.06546109 Cs 9.01658679 13.44835398 4.50639458 0.01462001 -0.00393848 0.06558164 Cs 18.01826272 8.98204543 0.07799365 -0.03403447 0.01808769 -0.04165511 Cs 22.58819346 13.56973337 0.01454560 0.01866055 -0.01026550 -0.02103572 Cs 22.58430679 8.98841965 4.51941972 0.03012103 0.01245485 0.03851071 Cs 17.96058104 13.59148144 4.51708101 -0.03879114 -0.02586131 0.05432721 Cs 0.06468418 17.97477493 0.00566311 -0.03877766 -0.02591232 -0.03592900 Cs 4.48772782 22.59164180 0.00000943 0.03565815 0.03304646 -0.03645041 Cs 4.58430753 18.07402040 4.43405967 0.04729749 -0.06188724 0.06366211 Cs 0.01558961 22.51843535 4.44141543 -0.03968888 0.03265374 0.03152499 Cs 9.10148785 18.07320388 0.08482438 -0.00109729 -0.05097911 -0.03840833 Cs 13.50988564 22.45594764 0.02785054 -0.00382152 0.03504518 -0.02426134 Cs 13.57290869 17.97477550 4.55072993 -0.02774359 -0.04750042 0.06531506 Cs 9.00481624 22.49962359 4.59103362 0.01792090 0.03722952 0.04015232 Cs 18.05184617 18.10074448 0.04953384 -0.03941371 -0.04497257 -0.05082896 Cs 22.57930701 22.46820536 0.04420200 0.01934507 0.02347428 -0.01813787 Cs 22.44786118 18.06427481 4.53793739 0.05225178 -0.04643745 0.03921398 Cs 17.99800929 22.53484000 4.58735637 -0.03831227 0.05385852 0.02501456 Cs 0.03311993 0.08353125 9.13152483 -0.03574959 -0.03459184 -0.00472424 Cs 4.46838524 4.48913164 8.94432246 0.06566507 0.06120006 0.01593322 Cs 4.49377073 0.06093217 13.52489868 0.06095285 -0.04409637 -0.00989289 Cs 0.07980507 4.46923128 13.54339377 -0.04162799 0.05832505 -0.00671021 Cs 8.97094772 0.05189066 8.93766868 0.01913933 -0.02832551 0.02670743 Cs 13.49126651 4.55985742 8.99048987 -0.01003369 0.04976822 0.01261975 Cs 13.53429281 0.06217365 13.57999381 -0.01649311 -0.02288167 -0.02893565 Cs 8.92508218 4.55529544 13.40953140 0.02678104 0.04964848 0.00063901 Cs 18.10313100 0.08026053 8.88718069 -0.06402386 -0.03699469 0.01821208 Cs 22.52993800 4.51284258 9.07801911 0.03677574 0.04444811 -0.00202659 Cs 22.49353193 0.05080549 13.56609774 0.03399320 -0.03703689 -0.01108750 Cs 18.04462053 4.42325401 13.50307956 -0.06813566 0.08172599 -0.01049643 Cs 0.08925181 8.99366016 9.07692677 -0.03370363 0.01282545 0.01134599 Cs 4.48920020 13.43162444 8.95225267 0.06946629 0.00027345 0.02072535 Cs 4.54307338 8.93615034 13.47795211 0.05529783 0.02843969 0.00082480 Cs 0.00541809 13.59390593 13.57226801 -0.02499807 -0.02581346 -0.01472648 Cs 8.93048347 8.98242262 8.93248749 0.02854162 0.02117306 0.01702453 Cs 13.56171873 13.49585030 9.04294194 -0.03015868 -0.01330026 0.01745137 Cs 13.47437405 8.94353970 13.48727736 -0.01031452 0.01147111 -0.02153958 Cs 8.94875498 13.57567864 13.57316424 0.01763503 -0.02470788 -0.03187287 Cs 17.99057295 8.98491214 8.95597247 -0.05449069 0.01468195 0.02538343 Cs 22.49299432 13.46435470 8.93976845 0.01807979 0.00104894 0.01996912 Cs 22.59545714 8.99813648 13.46826218 0.01177926 0.01850066 -0.00815266 Cs 17.97290426 13.53923615 13.50733818 -0.04480959 -0.01478136 -0.02441614 Cs 0.05285970 17.98439275 8.95672506 -0.03253548 -0.03336262 0.01243115 Cs 4.44437644 22.55763643 8.94671156 0.04518625 0.03055420 0.02057239 Cs 4.44141727 17.94113959 13.51984412 0.06930209 -0.04351389 -0.01428784 Cs 0.04416119 22.49534093 13.57405506 -0.03006653 0.02371050 -0.01055658 Cs 8.96183646 17.99440655 9.05706962 0.02103919 -0.06201445 0.00913524 Cs 13.57855304 22.57549311 9.04045224 -0.02699792 0.01557801 0.01120672 Cs 13.51030124 18.00272323 13.58901365 -0.01280597 -0.05850706 -0.02600554 Cs 8.97819647 22.50427943 13.54557318 0.01140329 0.01585957 -0.01978260 Cs 18.02414556 18.08938288 8.97760127 -0.05197594 -0.06743595 0.03370308 Cs 22.57891050 22.56444271 8.94259577 0.02886269 0.02501259 0.01500331 Cs 22.59470170 18.05199140 13.58947695 0.02546428 -0.04526968 -0.02774536 Cs 18.02052814 22.58850838 13.45122555 -0.03327433 0.02625898 -0.00039151 Cs 0.07185579 0.05427394 17.96148617 -0.04261880 -0.04481565 -0.02646857 Cs 4.57321951 4.44324866 18.01768633 0.06095030 0.07183533 -0.04697531 Cs 4.47581171 0.04310333 22.50186132 0.03572749 -0.03897890 0.03860295 Cs 0.00293109 4.44083750 22.45879993 -0.03861057 0.03272978 0.03891105 Cs 9.07844249 0.01213927 18.08986300 -0.00435865 -0.03412039 -0.05350142 Cs 13.46199976 4.46063164 18.07806103 -0.00661019 0.08042672 -0.06974668 Cs 13.52009014 0.05470508 22.45740075 -0.00466201 -0.03700700 0.03796669 Cs 9.01778081 4.56746778 22.60450723 0.00087833 0.04370253 0.03062799 Cs 18.05424115 0.08447304 17.98767174 -0.03515477 -0.05117743 -0.02848124 Cs 22.55011605 4.58201310 17.95537050 0.03983268 0.03393085 -0.02878548 Cs 22.54012552 0.00431823 22.58848676 0.01743375 -0.01454520 0.01147326 Cs 18.00473284 4.43571102 22.52215546 -0.03361009 0.05370187 0.03855673 Cs 0.01557309 8.96760778 18.07080923 -0.03228875 0.01354035 -0.05225460 Cs 4.46751341 13.50796511 18.02647193 0.06545085 -0.02183406 -0.05816811 Cs 4.41882272 9.01921742 22.54264963 0.05460966 0.00518301 0.02909217 Cs 0.07464756 13.61968536 22.53730250 -0.03309421 -0.01337660 0.03255013 Cs 9.06991971 9.07703579 17.96631280 -0.00630571 -0.00308566 -0.04864353 Cs 13.50419403 13.34281546 17.93582364 -0.01211408 0.01197410 -0.04409782 Cs 13.49865764 9.01317386 22.58236286 -0.00133638 0.01241168 0.01992461 Cs 8.97162386 13.55533828 22.55076573 0.01430432 -0.02220390 0.02215996 Cs 17.99725533 9.13527458 17.95766600 -0.04998799 -0.01319643 -0.04865407 Cs 22.60470981 13.53293174 18.00484417 0.03146650 -0.01475426 -0.03806113 Cs 22.55191915 8.91011560 22.48422481 0.01835524 0.01452954 0.02636635 Cs 18.03971593 13.59594211 22.53610052 -0.04132436 -0.02160053 0.03133378 Cs 0.06992854 17.99644402 18.09863043 -0.04764328 -0.02412405 -0.04003056 Cs 4.58105454 22.56667284 17.94132285 0.03111693 0.03642250 -0.02846569 Cs 4.57758105 18.02774459 22.51293397 0.03500645 -0.03041845 0.04440746 Cs 0.05703483 22.53460162 22.57967523 -0.01342542 0.01715385 0.01405532 Cs 9.06812535 17.95741037 18.09486002 0.00555705 -0.04782368 -0.06644162 Cs 13.54188244 22.52289137 17.96676864 -0.01078695 0.03307931 -0.03502050 Cs 13.51170450 18.01518299 22.50318942 -0.00928498 -0.04223790 0.02898990 Cs 8.93713704 22.58024700 22.53127442 0.01558175 0.02608815 0.02364874 Cs 18.03428652 17.95383937 17.98861414 -0.05591400 -0.04048587 -0.05073668 Cs 22.56335759 22.54024306 17.99676021 0.02522069 0.03563199 -0.02582577 Cs 22.49061983 18.08888579 22.51648479 0.03606322 -0.02928852 0.03401658 Cs 17.96382781 22.55119425 22.54522739 -0.02669841 0.03181535 0.02695169