108 Lattice="27.016870972601353 0.0 0.0 0.0 27.016870972601353 0.0 0.0 0.0 27.016870972601353" Properties=species:S:1:pos:R:3:forces:R:3 energy=-38.97697003153329 stress="-3.5652647962137224e-05 1.2144101405663988e-06 -5.757592258211944e-07 1.2144101405663988e-06 -3.3294403586937683e-05 4.737312969570678e-07 -5.757592258211944e-07 4.737312969570678e-07 -3.1209775785141746e-05" free_energy=-38.97697003153329 pbc="F F F" Cs 0.03663187 0.01308900 0.00908587 -0.02100453 -0.02226345 -0.01861369 Cs 4.43792065 4.48611095 0.06586042 0.05266388 0.04090324 -0.05091341 Cs 4.52518046 0.07485890 4.54567542 0.04531580 -0.05719836 0.03289436 Cs 0.05425238 4.42177701 4.58158311 -0.05875885 0.04828720 0.02595335 Cs 9.11693036 0.07519725 0.06256862 -0.00275541 -0.02767094 -0.03314346 Cs 13.58348497 4.57703431 0.03488397 -0.02051011 0.04861892 -0.03607758 Cs 13.54143461 0.00390536 4.46939676 -0.01471934 -0.04239512 0.05004360 Cs 8.98821022 4.47414281 4.51346123 0.02172285 0.06943293 0.05540635 Cs 18.09638478 0.08461502 0.01600520 -0.03926167 -0.04355888 -0.04335866 Cs 22.49815320 4.48438618 0.05044796 0.03836556 0.04076521 -0.04082248 Cs 22.51873410 0.05273847 4.43674808 0.03979928 -0.03684235 0.04037205 Cs 17.92709551 4.45549056 4.49456212 -0.03524300 0.06274630 0.05957343 Cs 0.04643539 8.95400241 0.06116961 -0.03344913 0.00192357 -0.03168997 Cs 4.41291404 13.53570924 0.00831351 0.05316893 -0.01250081 -0.03620915 Cs 4.49669308 8.97572277 4.53151160 0.06783282 0.01130999 0.04937791 Cs 0.03925048 13.38017625 4.47851066 -0.04051355 0.00970590 0.05714913 Cs 8.95927381 9.10188779 0.00085596 0.01438496 -0.00385382 -0.01753094 Cs 13.52735544 13.53342096 0.01371739 -0.01027482 -0.00566379 -0.01950243 Cs 13.57497131 9.07346023 4.57095056 -0.03270183 0.00500803 0.04351967 Cs 8.92538251 13.49264221 4.49482423 0.02098281 -0.01327467 0.05857955 Cs 18.02357924 9.06803340 0.08114306 -0.04225033 0.00488966 -0.04056595 Cs 22.47009204 13.56391626 0.02631722 0.03440077 -0.01393405 -0.02959645 Cs 22.43373006 8.94243153 4.50974385 0.04002066 0.00749762 0.04805084 Cs 18.06165687 13.52601472 4.53482276 -0.06670640 -0.00006911 0.05417221 Cs 0.02392986 17.92405357 0.08356830 -0.03861654 -0.01858030 -0.03662728 Cs 4.54385872 22.56086721 0.06299527 0.02606920 0.03335856 -0.03704726 Cs 4.46503814 18.04776808 4.53893986 0.04984716 -0.06111906 0.04731116 Cs 0.02851375 22.51926362 4.47203610 -0.04108422 0.03314493 0.03224831 Cs 8.93748597 18.01909002 0.00102943 0.01413016 -0.04375891 -0.03274829 Cs 13.55476606 22.49299834 0.08945865 -0.01352578 0.02533361 -0.02855069 Cs 13.42229590 17.97493933 4.54812861 0.00406805 -0.05803015 0.05610023 Cs 9.00688719 22.48908270 4.57246049 0.01069651 0.03739707 0.03341906 Cs 18.07463637 18.04886589 0.06081105 -0.05805766 -0.04629660 -0.05540225 Cs 22.59315471 22.42910953 0.06797238 0.02737241 0.02952195 -0.03040726 Cs 22.42787749 18.06339574 4.43098214 0.05759623 -0.04783837 0.06564860 Cs 18.08907109 22.46437465 4.43385737 -0.05376179 0.05021558 0.06028917 Cs 0.01297365 0.01550956 8.92656325 -0.03498644 -0.03388045 0.01573223 Cs 4.43432947 4.55364406 8.98264162 0.07713823 0.05445475 0.01546570 Cs 4.45085772 0.03421319 13.38152804 0.03869799 -0.03848127 0.00872089 Cs 0.07823259 4.57591991 13.47271663 -0.04415907 0.02954074 -0.00465835 Cs 8.94250786 0.05091202 9.09085258 0.01983530 -0.02435995 -0.00718543 Cs 13.58841339 4.44048390 8.94324820 -0.02909489 0.07204536 0.02861059 Cs 13.42760000 0.02486991 13.52049700 0.00199206 -0.02631196 -0.01152881 Cs 8.96750496 4.41564031 13.53631174 0.02384261 0.08461846 -0.01674412 Cs 18.06340794 0.01523337 8.97357291 -0.04283479 -0.04149527 0.01891129 Cs 22.51195626 4.45386383 9.10394532 0.02909950 0.04657843 -0.00667207 Cs 22.57226175 0.01127440 13.59145087 0.02108152 -0.03188834 -0.00916667 Cs 17.98299063 4.51766784 13.49904439 -0.05878413 0.06473270 -0.01050532 Cs 0.08144065 8.97104603 8.94028510 -0.03234523 0.01854991 0.01965996 Cs 4.52261432 13.51234667 8.94577438 0.06030979 -0.01830233 0.02307130 Cs 4.58874777 8.93534492 13.48710094 0.06127479 0.02465999 -0.01778188 Cs 0.06554577 13.44892468 13.48708628 -0.02562229 -0.01659684 -0.01330026 Cs 9.04235169 8.95750123 8.93706130 0.01305175 0.01021950 0.02338913 Cs 13.53117119 13.43942739 8.98874996 -0.02806724 0.00561031 0.01803122 Cs 13.43480485 9.09291957 13.55352909 -0.01127421 -0.01039628 -0.01325608 Cs 8.95201123 13.41104871 13.54252336 0.01614428 0.00519700 -0.02133086 Cs 17.92510408 9.06140109 8.93764674 -0.04522369 -0.00398870 0.03203595 Cs 22.47740653 13.50563097 8.97231888 0.02519845 -0.00234541 0.01629673 Cs 22.59356397 8.97238346 13.41291326 0.01157462 0.02019943 -0.00372682 Cs 17.93519667 13.44110644 13.54331679 -0.04480285 -0.01235804 -0.01011182 Cs 0.06373490 18.06080690 9.14947131 -0.04504085 -0.05649436 -0.01756372 Cs 4.49807761 22.49703959 8.94626097 0.04854851 0.04078771 0.01878001 Cs 4.42460403 17.97695879 13.49762384 0.08569510 -0.05850552 -0.01066761 Cs 0.08861505 22.47252734 13.49691213 -0.03045436 0.04377608 -0.00094719 Cs 8.94937050 17.95907667 8.94086364 0.02248813 -0.06189153 0.03951178 Cs 13.45201495 22.53923095 9.02262566 -0.00126351 0.01716792 0.00978179 Cs 13.54805459 17.95968320 13.51222861 -0.03445804 -0.06119415 -0.02007139 Cs 8.96645891 22.51989164 13.57124736 0.01167654 0.01659367 -0.02648807 Cs 18.00846776 18.00544678 9.09650490 -0.05857057 -0.05571908 -0.00715359 Cs 22.53586760 22.59038862 9.03263051 0.02493901 0.02014299 0.00244366 Cs 22.43722307 18.06270788 13.58682099 0.04084020 -0.06287291 -0.01449364 Cs 18.02391045 22.42930197 13.49343261 -0.05303571 0.04920810 -0.00074715 Cs 0.08347404 0.00159981 18.09328045 -0.04102589 -0.03032873 -0.04342375 Cs 4.49176344 4.51947386 18.00996315 0.05590775 0.04554307 -0.05220225 Cs 4.46342291 0.03730630 22.44000019 0.03987685 -0.03326184 0.04671138 Cs 0.02664384 4.54341431 22.59687168 -0.03657394 0.03213921 0.03185837 Cs 8.95434361 0.07045197 18.06586450 0.00915052 -0.03742790 -0.04717282 Cs 13.56499379 4.50032240 18.00450844 -0.02361200 0.07204442 -0.06389719 Cs 13.48059242 0.08096145 22.51254508 -0.00152061 -0.03321702 0.03025794 Cs 9.11527729 4.55310715 22.56269469 -0.00263011 0.03637308 0.03244110 Cs 17.97226663 0.02555732 18.02034157 -0.03276705 -0.04527001 -0.04051653 Cs 22.58745700 4.52299046 17.92998796 0.03776382 0.04090823 -0.03294124 Cs 22.52238430 0.08398303 22.47276665 0.01662567 -0.01662424 0.01882483 Cs 17.98711288 4.58878616 22.45238283 -0.03101716 0.02726062 0.04700445 Cs 0.08769396 8.97236744 17.94929766 -0.03899892 0.01161631 -0.03263588 Cs 4.44762997 13.52392889 18.02136871 0.07085712 -0.01133309 -0.05554044 Cs 4.58357921 8.93015900 22.47522961 0.03267925 0.02164545 0.04144391 Cs 0.02493664 13.55609033 22.45400797 -0.02707048 -0.01351282 0.02823915 Cs 8.92099195 9.01168068 18.07569639 0.03164628 0.01095521 -0.06558709 Cs 13.46526481 13.51245305 18.09825229 -0.01506166 -0.02120162 -0.07050285 Cs 13.53418771 8.99334750 22.60093484 -0.01580180 0.01520739 0.01616717 Cs 9.02005477 13.57042024 22.59587719 0.00470229 -0.01718413 0.01738063 Cs 18.06675901 9.03546161 18.07195971 -0.06473826 0.00703851 -0.07117047 Cs 22.47100892 13.42350247 18.09420422 0.03303790 -0.00050744 -0.05384060 Cs 22.56177271 8.91108981 22.55234722 0.02691975 0.01050468 0.03009373 Cs 17.95112658 13.50342768 22.55382930 -0.03279473 -0.01157839 0.03541879 Cs 0.01558283 18.03688167 17.93554753 -0.04760405 -0.03583568 -0.02503822 Cs 4.56393887 22.47363026 18.03004468 0.02347366 0.04596788 -0.03913167 Cs 4.55777468 17.98753405 22.53287111 0.03165199 -0.03522664 0.04141190 Cs 0.05076048 22.54470034 22.57168462 -0.01474801 0.01290356 0.01315443 Cs 9.00639356 18.04445340 17.94632870 0.00692545 -0.07813416 -0.05622851 Cs 13.40293776 22.46580753 18.10017837 0.00915632 0.04133067 -0.05451959 Cs 13.52050426 17.95511126 22.47729342 -0.01413226 -0.03135411 0.04259043 Cs 8.96142031 22.52811359 22.42810901 0.00944201 0.02682252 0.04082272 Cs 17.92173180 18.05184874 17.99231548 -0.04235980 -0.06029551 -0.04614684 Cs 22.57254598 22.46474683 18.03697784 0.02937957 0.03899723 -0.02584027 Cs 22.42671878 17.98602161 22.47877206 0.03523274 -0.03162656 0.03599406 Cs 18.00520509 22.50653139 22.58174190 -0.03062584 0.03444969 0.02887809