108 Lattice="25.639431259236446 0.0 0.0 0.0 25.639431259236446 0.0 0.0 0.0 25.639431259236446" Properties=species:S:1:pos:R:3:forces:R:3 energy=-39.30009623397508 stress="-2.3401339862757574e-05 -5.72279492070883e-07 -5.037796313179608e-06 -5.72279492070883e-07 -2.5465626734091014e-05 3.877762455409826e-06 -5.037796313179608e-06 3.877762455409826e-06 -2.3838798901999155e-05" free_energy=-39.30009623397508 pbc="F F F" Rb 0.00533760 0.07067228 0.03914940 -0.02800019 -0.02215364 -0.02404861 Rb 4.34490721 4.18924652 0.06854740 0.03605400 0.06242328 -0.05396055 Rb 4.29377861 0.03411164 4.18911493 0.04843746 -0.05392910 0.06345553 Rb 0.04229290 4.31099887 4.32307182 -0.04948095 0.04503884 0.04085817 Rb 8.61623207 0.05096925 0.01741995 0.01545714 -0.03060908 -0.02868712 Rb 12.90386015 4.31783201 0.00751568 -0.02318794 0.04769246 -0.03869607 Rb 12.82896215 0.00835984 4.35667043 -0.00817021 -0.03940291 0.02837079 Rb 8.56330117 4.35709441 4.31357818 0.00756435 0.05494655 0.06141661 Rb 17.08283417 0.06305401 0.01915470 -0.03347639 -0.04615514 -0.03803015 Rb 21.36930841 4.22397830 0.04521501 0.04056817 0.03526254 -0.04421077 Rb 21.37216351 0.05950020 4.29108396 0.04026267 -0.04386869 0.03248246 Rb 17.06293708 4.26017448 4.28314197 -0.05260679 0.06718784 0.05546012 Rb 0.01132746 8.54628063 0.03151481 -0.03106874 -0.00049532 -0.03427957 Rb 4.30031794 12.73610089 0.06880493 0.04285130 0.00144698 -0.05362305 Rb 4.19435726 8.62950980 4.28577181 0.07303358 -0.01096789 0.06947911 Rb 0.07077179 12.86621899 4.23882608 -0.05607928 -0.01557266 0.06100950 Rb 8.47374299 8.60301213 0.05602899 0.02025250 -0.00095751 -0.03269127 Rb 12.81896371 12.86600238 0.01312847 -0.01503810 -0.02243806 -0.02461434 Rb 12.71024446 8.50740555 4.25178462 0.00668221 0.03302073 0.08114158 Rb 8.54630303 12.82443528 4.28781359 0.02477044 -0.01246457 0.07770034 Rb 17.16948113 8.56552225 0.06192492 -0.05624758 0.01182123 -0.03588010 Rb 21.38840104 12.82214950 0.01183523 0.03477078 -0.00205456 -0.02971907 Rb 21.43671360 8.50228236 4.23548353 0.03467806 0.01419383 0.05653942 Rb 17.14546032 12.86824186 4.25289936 -0.07001318 -0.03673776 0.07363082 Rb 0.03667508 17.09120186 0.00708377 -0.03812682 -0.03004663 -0.04591056 Rb 4.32641977 21.40940709 0.07497686 0.03048567 0.04157768 -0.04079449 Rb 4.23625690 17.03899381 4.19260874 0.06268035 -0.03875117 0.07746190 Rb 0.01375484 21.44546555 4.18994675 -0.03546596 0.02903610 0.04584299 Rb 8.46327603 17.09934193 0.00419804 0.01902065 -0.05183961 -0.04551947 Rb 12.90291519 21.33395414 0.02564689 -0.01172582 0.03052700 -0.04503276 Rb 12.79178937 17.09176873 4.26231767 -0.01453700 -0.06977559 0.07230853 Rb 8.70323851 21.29390909 4.18811426 -0.00667969 0.04238667 0.06587427 Rb 17.04882232 17.01112027 0.06504244 -0.03428507 -0.03744940 -0.06111381 Rb 21.29325360 21.34489947 0.01268503 0.02327989 0.02257750 -0.02877352 Rb 21.32261727 17.17411724 4.27377972 0.06156307 -0.05523439 0.04245857 Rb 17.06635181 21.32264773 4.19886074 -0.04421884 0.05810619 0.06111634 Rb 0.05595675 0.05503577 8.53399303 -0.03389717 -0.03980976 -0.00510399 Rb 4.31369832 4.29449882 8.58342631 0.07220398 0.06224124 0.00428110 Rb 4.19413161 0.00174430 12.77223706 0.06262567 -0.04456221 -0.00273915 Rb 0.03064133 4.23302290 12.70040037 -0.03920344 0.05278082 0.01564344 Rb 8.68255887 0.04334643 8.51630631 -0.01776991 -0.02652684 0.01154945 Rb 12.88982478 4.23287794 8.53518747 -0.02730438 0.08999261 0.02793645 Rb 12.74489676 0.01004307 12.82438235 0.00998104 -0.03167803 -0.01457973 Rb 8.49605975 4.19931582 12.87282462 0.01292509 0.08802821 -0.03159985 Rb 17.13283746 0.04513206 8.53886355 -0.04639290 -0.04947011 0.01883146 Rb 21.32138086 4.26642260 8.56616266 0.04458897 0.04927609 0.01000277 Rb 21.40117105 0.03478401 12.89164851 0.03051791 -0.03358229 -0.01344071 Rb 17.08809655 4.22155776 12.82657458 -0.06506456 0.07221060 -0.00720559 Rb 0.04689337 8.49802293 8.68433006 -0.02994462 0.02107547 -0.00987541 Rb 4.29893104 12.77067655 8.47388108 0.06469740 -0.00145480 0.02413856 Rb 4.23375598 8.68666652 12.89914656 0.07821813 -0.00327325 -0.01406289 Rb 0.00392219 12.87221345 12.71149043 -0.02399822 -0.01408296 0.01242278 Rb 8.48845856 8.53434379 8.63131368 0.03343016 0.01711419 0.01572889 Rb 12.89503395 12.90392262 8.56059028 -0.02511406 -0.03587011 0.01382234 Rb 12.81866443 8.57521307 12.87308664 -0.01531203 0.01476010 -0.03041826 Rb 8.48168197 12.90486398 12.77612306 0.02615542 -0.02376924 -0.01011157 Rb 17.10403064 8.47661672 8.53979978 -0.07543397 0.03240662 0.01195295 Rb 21.37075383 12.77568054 8.59426977 0.02228892 -0.01005560 0.00033529 Rb 21.41708470 8.51370449 12.84277406 0.02226691 0.00809355 -0.01261011 Rb 17.14035563 12.80553430 12.89995900 -0.07947516 -0.01988829 -0.02280661 Rb 0.04050079 17.07495782 8.63776880 -0.03222688 -0.03542383 -0.01108435 Rb 4.31377482 21.32540694 8.56025121 0.04210882 0.03737741 -0.00785168 Rb 4.32231494 17.10627182 12.90054208 0.06204023 -0.07163844 -0.01170627 Rb 0.07147880 21.33540484 12.85229760 -0.03275362 0.03524940 -0.00825872 Rb 8.46247559 17.09834274 8.55494389 0.02436866 -0.07164946 0.00376798 Rb 12.84811442 21.31428554 8.64105756 -0.01028091 0.02434796 -0.00399093 Rb 12.85257698 17.09796582 12.81925530 -0.01334562 -0.07602564 -0.01475777 Rb 8.53550495 21.31260070 12.79481786 0.01005773 0.02757512 0.00431305 Rb 17.13640240 17.07263030 8.47211718 -0.05953076 -0.05115827 0.03561813 Rb 21.42457837 21.39118897 8.50448881 0.01730300 0.02534056 0.02041262 Rb 21.39897409 17.01086934 12.87913829 0.03052741 -0.02423036 -0.02151355 Rb 17.01848810 21.43156850 12.90484393 -0.01744540 0.02538613 -0.02757976 Rb 0.01378483 0.04952632 17.13372905 -0.04151583 -0.03466430 -0.03796349 Rb 4.29831294 4.28983094 17.08123814 0.05298220 0.05796471 -0.05935094 Rb 4.19210853 0.06848578 21.36940539 0.04703054 -0.04315071 0.03593035 Rb 0.02517139 4.28542682 21.42961203 -0.03931398 0.03828398 0.03813743 Rb 8.62183689 0.00240876 17.04809261 -0.01368209 -0.04495592 -0.03012004 Rb 12.72359446 4.24204952 17.03653169 0.00386717 0.07459858 -0.05230984 Rb 12.85837452 0.00519365 21.33534977 -0.01222258 -0.02788840 0.03242074 Rb 8.49447817 4.31431088 21.38138998 0.01882823 0.03460315 0.03572783 Rb 17.10935649 0.07248953 17.09953465 -0.04583032 -0.05258028 -0.04375014 Rb 21.42947710 4.25159666 17.11906040 0.04836127 0.05141768 -0.04087267 Rb 21.43939312 0.03533978 21.30660811 0.01649336 -0.02036114 0.02489030 Rb 17.02812378 4.32750724 21.32138005 -0.03597462 0.04163336 0.04941555 Rb 0.02958722 8.48509149 17.13281080 -0.03845262 0.01677455 -0.05125099 Rb 4.26824748 12.82438381 17.16833558 0.06251779 -0.01099517 -0.07492936 Rb 4.34038911 8.55441631 21.45088924 0.03972688 0.00711923 0.03122563 Rb 0.07233117 12.81089670 21.41957449 -0.03704798 -0.01151379 0.02831589 Rb 8.58361163 8.53424691 17.06105102 0.00045405 0.01908607 -0.07021183 Rb 12.68552388 12.84929230 17.11368056 0.01683321 -0.03005723 -0.07910131 Rb 12.75808407 8.59633376 21.32928967 -0.00229837 0.01043983 0.02253665 Rb 8.46129250 12.87010566 21.32000938 0.01398995 -0.02037007 0.03678347 Rb 17.16218930 8.49680564 17.08404478 -0.07382696 0.02417254 -0.05438427 Rb 21.44836377 12.79781060 17.11489310 0.03507256 -0.01255542 -0.03406251 Rb 21.44639201 8.53957241 21.44267147 0.02127410 0.00668357 0.02506836 Rb 17.11332011 12.88297582 21.42091053 -0.04733905 -0.02255321 0.02543186 Rb 0.06095334 17.08932253 17.11101801 -0.05683346 -0.05121403 -0.04306436 Rb 4.24325568 21.32364730 17.17266224 0.06081919 0.04832611 -0.04706124 Rb 4.23442668 17.06237560 21.44231682 0.05584474 -0.03451325 0.04719358 Rb 0.08479772 21.31224351 21.39510151 -0.02958140 0.02615147 0.02684876 Rb 8.70994857 17.08875331 17.17653148 -0.02225032 -0.04196028 -0.07807025 Rb 12.89457085 21.45079811 17.03138034 -0.02891358 0.03233102 -0.03438608 Rb 12.75443038 17.03287064 21.28664617 0.00659492 -0.02983644 0.04849513 Rb 8.53326737 21.43137510 21.42440535 0.01061429 0.02353623 0.02230020 Rb 17.13294676 17.03836241 17.06270686 -0.06048475 -0.05045162 -0.04751402 Rb 21.40679019 21.42688145 17.09288656 0.03293485 0.03049941 -0.03245068 Rb 21.35986974 17.15237420 21.42466400 0.03442036 -0.02905135 0.03196282 Rb 17.01425845 21.41637981 21.30198360 -0.02890734 0.02960277 0.03768735