108 Lattice="27.024068795531484 0.0 0.0 0.0 27.024068795531484 0.0 0.0 0.0 27.024068795531484" Properties=species:S:1:pos:R:3:forces:R:3 energy=-38.81195273275725 stress="-3.2832904038149144e-05 -2.0243112613103384e-06 1.0539815561009119e-07 -2.0243112613103384e-06 -3.306060001457791e-05 2.8191435628185494e-06 1.0539815561009119e-07 2.8191435628185494e-06 -3.3041679129824044e-05" free_energy=-38.81195273275725 pbc="F F F" Cs 0.07864021 0.07209664 0.02680068 -0.02697576 -0.02977095 -0.02548585 Cs 4.48697439 4.43923632 0.00184357 0.04643686 0.04746295 -0.04877190 Cs 4.58555508 0.00360689 4.44249892 0.03332490 -0.04587475 0.04321035 Cs 0.00781167 4.44220580 4.47262946 -0.04470756 0.04580728 0.04398969 Cs 9.09886256 0.04343036 0.03159676 0.00635058 -0.03035634 -0.03396708 Cs 13.56197016 4.54579595 0.08714649 -0.00876006 0.03652366 -0.04971482 Cs 13.55366554 0.06528940 4.50620292 -0.01535597 -0.04950684 0.04492401 Cs 9.08262675 4.52379501 4.43734843 -0.00216374 0.06076847 0.07340100 Cs 18.08313788 0.07041909 0.07184300 -0.03498622 -0.04104928 -0.04296516 Cs 22.56459386 4.46925695 0.00085241 0.03038390 0.04037512 -0.02975779 Cs 22.49989512 0.01837268 4.53199844 0.04139426 -0.03715716 0.02835066 Cs 17.94752277 4.46643955 4.52347890 -0.03299940 0.07218157 0.05193621 Cs 0.08608096 9.02151084 0.03284365 -0.02860482 0.00498335 -0.02752957 Cs 4.47490057 13.57584983 0.07058717 0.05676949 -0.01772633 -0.04181033 Cs 4.56465210 8.94254130 4.50418721 0.05588558 0.01340178 0.06176152 Cs 0.08839288 13.52241734 4.51725317 -0.04071783 -0.01260496 0.04216468 Cs 9.02477518 8.92482216 0.03943626 0.00314818 0.02466445 -0.03066710 Cs 13.50634091 13.54787520 0.05756143 -0.02010205 -0.01294654 -0.02606123 Cs 13.53020338 9.03745140 4.45500723 -0.02138192 0.01965340 0.07899812 Cs 8.96995515 13.54347357 4.47955666 0.02274742 -0.02116308 0.05997784 Cs 17.94539808 9.01945368 0.08666249 -0.02342928 0.00505676 -0.03798557 Cs 22.55933943 13.46255715 0.07377692 0.02808146 -0.00371057 -0.02763042 Cs 22.58812144 8.98842724 4.57767064 0.02461759 0.00559887 0.03897756 Cs 18.02339834 13.55473131 4.42326768 -0.05671694 -0.01466632 0.07579149 Cs 0.07870034 18.05002541 0.02634131 -0.04139017 -0.02597598 -0.03760706 Cs 4.58028552 22.52793872 0.03821877 0.02433495 0.03640534 -0.03930675 Cs 4.48476356 18.01984814 4.49933537 0.05466481 -0.04869368 0.05111812 Cs 0.06440966 22.51602347 4.55576465 -0.03661502 0.03585513 0.02938397 Cs 9.07910244 18.04752025 0.05211182 0.00090106 -0.05003905 -0.04024421 Cs 13.55039789 22.44301547 0.01200032 -0.01231380 0.03406474 -0.03444758 Cs 13.48280748 18.09631515 4.58047550 -0.00863181 -0.07303952 0.06041743 Cs 8.94877852 22.45546063 4.49366339 0.02286106 0.04318861 0.04886652 Cs 17.96456658 17.92789296 0.04488422 -0.02320307 -0.02892069 -0.04769837 Cs 22.48319356 22.60076136 0.03055915 0.01543553 0.01107203 -0.01749055 Cs 22.53121177 18.06162666 4.57992113 0.03961203 -0.03086310 0.02707206 Cs 17.93012644 22.54718819 4.41402536 -0.02252137 0.04112368 0.06097184 Cs 0.06951012 0.03059138 9.00016454 -0.02836682 -0.02811626 0.01015439 Cs 4.48019104 4.47347198 9.03637505 0.05925617 0.07275198 0.00218402 Cs 4.53977939 0.03870221 13.52868748 0.03338348 -0.04667582 -0.01559262 Cs 0.06206333 4.59170643 13.59558503 -0.03938303 0.03620969 -0.02454775 Cs 8.92022169 0.08070704 8.92492046 0.02463100 -0.03021515 0.01581817 Cs 13.48630772 4.50199740 8.93472270 -0.01243507 0.06964195 0.02918365 Cs 13.50828422 0.07224057 13.57047096 -0.01235353 -0.02894305 -0.02778831 Cs 8.95021909 4.45904372 13.44663295 0.02685887 0.07678680 -0.01223931 Cs 18.02963865 0.06890441 8.95631598 -0.05201293 -0.04134889 0.02373449 Cs 22.44622215 4.46901021 9.00085621 0.03405860 0.05442092 0.01266929 Cs 22.51493004 0.02022553 13.47327561 0.02415634 -0.02941908 -0.00196938 Cs 17.99958688 4.52144784 13.57607014 -0.05530937 0.05998147 -0.03051142 Cs 0.02299621 9.00243322 8.92019914 -0.01470936 0.01070517 0.02053081 Cs 4.56766832 13.58815409 8.96191736 0.04752863 -0.03380884 0.02059070 Cs 4.59304052 9.03714428 13.57675733 0.04919068 0.01447649 -0.03359584 Cs 0.04109455 13.51278918 13.49976668 -0.01777574 -0.01299881 -0.01642329 Cs 9.00997837 9.07113276 9.02405384 0.01311722 -0.00239770 0.00404890 Cs 13.50339106 13.47849821 9.01817410 -0.00795720 -0.00854067 0.00625950 Cs 13.51485593 8.95969747 13.51449521 -0.01625392 0.01719383 -0.01554175 Cs 9.01305705 13.50611369 13.39084028 0.01315459 -0.00728879 0.01356424 Cs 17.96202612 9.08414928 8.95719939 -0.05617906 0.00411870 0.01516697 Cs 22.51517811 13.60153842 9.00533033 0.02350840 -0.02039101 0.00751050 Cs 22.46859226 9.04070130 13.47347349 0.02418576 -0.00220945 -0.00918933 Cs 18.08503260 13.47122225 13.56557330 -0.08217888 -0.01054850 -0.01890055 Cs 0.04075606 17.95078215 9.01560351 -0.03531870 -0.03503422 0.00952458 Cs 4.59394017 22.49800438 8.97878442 0.03164115 0.03644099 0.01095263 Cs 4.56626381 18.06302031 13.50302521 0.05316023 -0.06834829 -0.00244336 Cs 0.03649605 22.49353530 13.44665591 -0.02726852 0.02453302 -0.00270220 Cs 8.92793702 17.93867214 8.96145235 0.03120183 -0.05049486 0.01737552 Cs 13.52550764 22.43844551 9.08717485 -0.01396260 0.02480430 -0.00282736 Cs 13.50467213 17.94138747 13.50932537 -0.01858751 -0.05970976 -0.00795108 Cs 9.02221901 22.55121472 13.41177839 0.01694453 0.01738595 -0.00004151 Cs 18.01170280 17.94507229 9.03186212 -0.05900669 -0.04986780 0.00435126 Cs 22.58839469 22.47393459 9.15943235 0.01648513 0.02851020 -0.00580426 Cs 22.48560189 18.00085019 13.55205920 0.03503319 -0.04035268 -0.00463350 Cs 17.93976942 22.44605259 13.48620812 -0.03844693 0.03597103 -0.00409994 Cs 0.04548985 0.02087816 18.02907584 -0.03817656 -0.03999308 -0.03070328 Cs 4.50721562 4.42483789 17.94411544 0.05574976 0.06722534 -0.03971572 Cs 4.46732483 0.00764339 22.60932252 0.03176230 -0.03460756 0.03284982 Cs 0.06658911 4.56785692 22.43198274 -0.04018810 0.02829439 0.03736126 Cs 8.93708396 0.08917698 17.98852492 0.01817733 -0.04178270 -0.02933334 Cs 13.50870084 4.48058617 17.96125599 -0.02663256 0.07087658 -0.03933086 Cs 13.56705121 0.05136851 22.49632722 -0.01616973 -0.02271044 0.02875136 Cs 8.92152238 4.54249065 22.51681271 0.02570773 0.03949103 0.02855091 Cs 17.97139128 0.03640409 18.04719661 -0.02841131 -0.05248801 -0.04031633 Cs 22.44184337 4.44855547 18.02427487 0.05355735 0.04582908 -0.04373923 Cs 22.48240019 0.07281839 22.60670717 0.01960718 -0.02225507 0.01867061 Cs 18.07622475 4.56544664 22.52376081 -0.04909801 0.03674285 0.05040187 Cs 0.02458066 9.01907618 17.95492707 -0.03683182 0.00945963 -0.03581775 Cs 4.44069667 13.46477430 18.06662695 0.07835364 -0.00149607 -0.07468043 Cs 4.54238421 8.94406527 22.49425877 0.03860370 0.01529903 0.03478569 Cs 0.08619863 13.51157705 22.44697897 -0.03775448 -0.01644602 0.04006903 Cs 8.93969175 9.05038116 17.95502722 0.03220952 0.00435843 -0.05580503 Cs 13.54124494 13.49335900 18.00009944 -0.02145461 -0.01564287 -0.06932392 Cs 13.54548093 9.05026151 22.56408912 -0.02144249 0.00022467 0.01830841 Cs 9.00855027 13.51064785 22.45920192 0.00625324 -0.00917160 0.02438906 Cs 17.94897543 8.94473283 18.08184529 -0.04791991 0.01864133 -0.06426937 Cs 22.43926209 13.50042413 17.93505410 0.03862788 -0.00850122 -0.02665461 Cs 22.59798521 9.00037931 22.51310794 0.02708530 0.01106459 0.02169469 Cs 18.04400393 13.51690783 22.46194226 -0.03486777 -0.00903555 0.03785736 Cs 0.04599043 17.93981955 18.02796626 -0.04816573 -0.01631006 -0.04680815 Cs 4.57649687 22.57167921 17.93100641 0.03072430 0.04092577 -0.02971501 Cs 4.42161967 18.00858043 22.45572018 0.05611034 -0.02959444 0.04734152 Cs 0.08887336 22.57900045 22.60452173 -0.01592758 0.01668739 0.00972158 Cs 9.01847314 18.03759695 18.04614509 0.01052394 -0.05940523 -0.06363753 Cs 13.48251499 22.57441977 18.05830792 -0.01216462 0.03020912 -0.04595406 Cs 13.53424922 17.95280772 22.51199620 -0.01740107 -0.03430649 0.03629053 Cs 8.97975802 22.60568358 22.59890491 0.00585625 0.01569977 0.02347940 Cs 17.95656997 18.06402099 18.06306042 -0.04830548 -0.05519024 -0.05730888 Cs 22.43429086 22.51106987 18.01738056 0.03340267 0.03806518 -0.03078549 Cs 22.57225224 18.06307432 22.52861574 0.03195277 -0.03539496 0.02933421 Cs 17.98204723 22.50446723 22.59374049 -0.02871618 0.03389250 0.03505311