108 Lattice="27.10627323894778 0.0 0.0 0.0 27.10627323894778 0.0 0.0 0.0 27.10627323894778" Properties=species:S:1:pos:R:3:forces:R:3 energy=-37.112167832489085 stress="-2.9089429949193007e-05 6.363339028460845e-06 2.576700424192296e-06 6.363339028460845e-06 -3.0121941033651324e-05 -3.5435181717847725e-08 2.576700424192296e-06 -3.5435181717847725e-08 -3.139627932558577e-05" free_energy=-37.112167832489085 pbc="F F F" Cs 0.02545626 0.01667803 0.05185946 -0.02327225 -0.02349716 -0.02655000 Cs 4.55683667 4.47463857 0.05790406 0.03081566 0.04316152 -0.05076843 Cs 4.46107807 0.01123728 4.50610947 0.05322090 -0.04381499 0.04778416 Cs 0.03112260 4.50251029 4.44190197 -0.04397595 0.04754011 0.05058094 Cs 8.99910215 0.07783684 0.05792032 0.00914390 -0.03584659 -0.03209605 Cs 13.55727535 4.52703513 0.08529121 -0.00307147 0.04100408 -0.05166193 Cs 13.56820727 0.07421538 4.44513740 -0.00830704 -0.04551686 0.04932135 Cs 9.06084861 4.56790916 4.45038176 -0.00749285 0.05238312 0.07664498 Cs 18.15340123 0.00672433 0.06188436 -0.03742267 -0.03658550 -0.04054677 Cs 22.52557580 4.50941237 0.07375590 0.03561562 0.03683856 -0.04020475 Cs 22.50464140 0.06121233 4.55458982 0.03981767 -0.04004219 0.03334277 Cs 18.04429527 4.57204788 4.52044453 -0.04714387 0.04948718 0.05507877 Cs 0.05885354 9.00566904 0.08328991 -0.03073316 0.00835381 -0.03300676 Cs 4.55100868 13.48820789 0.07459759 0.04183855 0.00395540 -0.04192482 Cs 4.58878563 9.11415664 4.47019766 0.05357873 -0.00799010 0.07797111 Cs 0.03363369 13.53784673 4.57241051 -0.03978828 -0.00943250 0.03550613 Cs 8.95945766 9.00962232 0.01249442 0.02645837 0.01862725 -0.02880213 Cs 13.64034998 13.57130592 0.07394781 -0.03449987 -0.01258898 -0.02874763 Cs 13.57956621 8.95900781 4.46197757 -0.02420447 0.02713471 0.07609278 Cs 9.08908490 13.60367826 4.54907773 0.01881694 -0.03316050 0.05704130 Cs 17.99915725 9.14328917 0.02229526 -0.03038667 -0.00436955 -0.03623140 Cs 22.55711746 13.52156772 0.04367248 0.02710025 0.00206246 -0.02511057 Cs 22.59775318 9.05361181 4.47953278 0.03144538 0.01190820 0.04828134 Cs 17.98113406 13.62778639 4.56579747 -0.04284515 -0.01613030 0.06174476 Cs 0.06159591 18.01726686 0.02999310 -0.02914304 -0.02621387 -0.03145019 Cs 4.55733694 22.64764070 0.02211533 0.02989995 0.02893880 -0.03177354 Cs 4.60284125 17.99157401 4.54661743 0.03661355 -0.03295303 0.04581197 Cs 0.07384248 22.65466303 4.43701295 -0.02865839 0.02559276 0.03841137 Cs 9.02248486 18.12259195 0.05796341 0.00641016 -0.04851674 -0.04822272 Cs 13.62108651 22.63875098 0.00015478 -0.00710059 0.02892563 -0.02860175 Cs 13.42180311 18.14890103 4.42896266 0.01357983 -0.05704714 0.07696074 Cs 9.09695304 22.53868261 4.54941506 -0.00385401 0.04588208 0.04041393 Cs 18.01762694 18.02260499 0.06014538 -0.02325813 -0.02419278 -0.04319422 Cs 22.64097101 22.61730031 0.07147151 0.01534656 0.01198053 -0.01923500 Cs 22.57953883 18.08053568 4.59720099 0.04307927 -0.04395855 0.03009922 Cs 18.13120184 22.63950846 4.52380031 -0.05280637 0.03883353 0.04049055 Cs 0.02560559 0.00808331 8.95224494 -0.03020031 -0.02582077 0.01356854 Cs 4.43986838 4.54270187 9.10412598 0.06743314 0.05397093 -0.00564719 Cs 4.46083026 0.02087779 13.59665871 0.04907823 -0.03159428 -0.01678377 Cs 0.00189044 4.49144428 13.62354461 -0.03664519 0.04404838 -0.01404572 Cs 9.04633731 0.05070582 9.05891191 -0.00735386 -0.02887204 -0.00559964 Cs 13.42744990 4.43944816 8.96316122 0.01324484 0.08010348 0.02224358 Cs 13.46785209 0.03214202 13.53072693 0.01373421 -0.02289120 -0.00118349 Cs 9.08874528 4.46544528 13.51318470 0.00104182 0.06819167 0.00403233 Cs 18.04508069 0.08189246 9.08304943 -0.04291308 -0.03506408 0.01099136 Cs 22.57581279 4.49190736 9.04277585 0.03849744 0.04596859 0.00859200 Cs 22.64014063 0.03499337 13.64215085 0.02130122 -0.02685394 -0.00932489 Cs 18.11711463 4.59646738 13.54697412 -0.07084490 0.04347604 -0.01537126 Cs 0.01706648 9.01989174 9.05966119 -0.02048334 0.00934856 0.00904148 Cs 4.54687135 13.52065775 8.95194915 0.06092583 -0.01745361 0.03520120 Cs 4.54933709 8.98063647 13.59877546 0.05385116 0.02076526 -0.01932006 Cs 0.05440569 13.57472519 13.62531739 -0.02401799 -0.01990943 -0.02125686 Cs 9.05214404 8.94578837 9.14769631 0.00991162 0.02500193 -0.00723675 Cs 13.54190149 13.48756446 8.96247145 -0.01391163 -0.01201274 0.01952152 Cs 13.50563897 9.03891359 13.61626731 0.00180608 0.01136255 -0.02674721 Cs 9.00913507 13.56676705 13.52025264 0.01210722 -0.01020650 -0.01531714 Cs 18.13110398 8.99593566 8.97824599 -0.07686480 0.01362802 0.02357007 Cs 22.50727980 13.55595861 9.11664601 0.02714063 -0.01509106 -0.00741024 Cs 22.65749177 9.04439677 13.57600253 0.02197189 0.00693374 -0.01844551 Cs 18.04968823 13.63544747 13.46248004 -0.06818355 -0.03360750 -0.00256871 Cs 0.02417435 18.01136110 9.00817285 -0.03289598 -0.02926078 0.00895143 Cs 4.55954182 22.52610952 9.10674024 0.03575569 0.03439567 0.00029148 Cs 4.43855681 18.09584747 13.59916838 0.07278925 -0.05827273 -0.02320736 Cs 0.05581039 22.57026496 13.64032517 -0.03313821 0.02732029 -0.01187325 Cs 9.00331796 18.03399767 9.02568469 0.01485028 -0.06597085 0.02121782 Cs 13.43484806 22.55876555 9.12581530 0.01230749 0.02200432 -0.01049300 Cs 13.53893783 17.99738615 13.51724146 -0.00630177 -0.05970983 -0.00564217 Cs 9.18071623 22.51419059 13.49437585 -0.01509906 0.02404267 0.00735812 Cs 18.04145700 18.12494489 9.01610292 -0.06593270 -0.05028741 0.00320501 Cs 22.60597290 22.67028619 8.97319629 0.02658104 0.02416125 0.01586630 Cs 22.53435524 18.01635613 13.48518675 0.03549419 -0.02395626 -0.00262205 Cs 18.03700012 22.62138685 13.51224590 -0.03746167 0.02589389 -0.00111269 Cs 0.08749125 0.00626392 18.02438040 -0.03737542 -0.03293709 -0.01529617 Cs 4.56493638 4.60795704 18.14982717 0.05588490 0.03411755 -0.06806926 Cs 4.58739438 0.07985032 22.53767198 0.02266600 -0.03780157 0.03588138 Cs 0.00676922 4.59192598 22.60100836 -0.03915803 0.01356458 0.03574349 Cs 9.03144092 0.01814011 17.98634358 0.00985127 -0.02979965 -0.02949935 Cs 13.61042560 4.50547975 18.13354995 -0.02008466 0.05728064 -0.06393269 Cs 13.57682061 0.00594046 22.59690722 -0.01393942 -0.03014938 0.02663757 Cs 9.05078024 4.50349315 22.65457403 0.01472633 0.04642318 0.02759554 Cs 18.06884995 0.02939564 18.14449816 -0.03622901 -0.04467352 -0.05223586 Cs 22.59825919 4.54056340 18.08356491 0.04489199 0.03329362 -0.03241083 Cs 22.63167200 0.00791710 22.62286565 0.02175582 -0.01981362 0.01635272 Cs 18.12827392 4.42901931 22.66141091 -0.03233209 0.05046872 0.04452987 Cs 0.03001055 8.97328782 18.10065241 -0.04063219 0.02003260 -0.05108128 Cs 4.51230811 13.60191569 18.00784707 0.06683805 -0.02224856 -0.03949558 Cs 4.48378113 8.96310880 22.49846728 0.05787580 0.02648619 0.04170040 Cs 0.07300020 13.48875607 22.61195336 -0.02542856 -0.00288442 0.02743971 Cs 9.01711533 9.06931847 18.00389124 0.02125572 0.00805902 -0.04621155 Cs 13.57404898 13.55955543 18.05585846 -0.01436433 -0.01985097 -0.06181810 Cs 13.63587574 8.94950378 22.58165170 -0.01080509 0.01595862 0.01617234 Cs 9.11866619 13.51518486 22.61324317 -0.00361137 -0.01060922 0.01592934 Cs 18.12437225 8.98167256 17.98189703 -0.06513627 0.02433482 -0.04342828 Cs 22.62790932 13.48876470 17.98917980 0.02874605 0.00609314 -0.03357065 Cs 22.59840147 9.12209572 22.50068901 0.02253988 0.00072770 0.03159371 Cs 18.05290562 13.59689203 22.58212394 -0.03532044 -0.02140671 0.03086088 Cs 0.07199064 18.00468455 18.11450966 -0.05505468 -0.03303766 -0.03450234 Cs 4.51758102 22.58544527 18.10919683 0.04470963 0.04893324 -0.05097661 Cs 4.52110426 18.12187424 22.57517948 0.04466054 -0.05171655 0.04870242 Cs 0.02757655 22.55142901 22.52493880 -0.02527802 0.02284259 0.02242003 Cs 9.00308219 18.08016295 18.04109405 0.01634956 -0.05960905 -0.05089815 Cs 13.53074075 22.58723941 18.08293984 0.00032197 0.02713506 -0.03896808 Cs 13.59009247 18.03393356 22.52994926 -0.02043580 -0.02768361 0.03474357 Cs 8.94859180 22.65849626 22.54695619 0.01768752 0.02227739 0.02904409 Cs 18.10243087 17.98317846 18.10081562 -0.05188465 -0.03700010 -0.06489986 Cs 22.58784742 22.54272137 18.05972388 0.03202758 0.03083739 -0.03580563 Cs 22.56020009 18.12075615 22.63509310 0.04033665 -0.04038939 0.03050147 Cs 18.14161505 22.53925081 22.59890300 -0.03844756 0.03821039 0.03135896