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=-38.76052837232339 stress="-3.5627326902645696e-05 1.2104223772177265e-06 -5.728423101730611e-07 1.2104223772177265e-06 -3.327068443587535e-05 4.704957414987419e-07 -5.728423101730611e-07 4.704957414987419e-07 -3.1192629020093135e-05" free_energy=-38.76052837232339 pbc="F F F" Cs 0.03664163 0.01309249 0.00908829 -0.02102906 -0.02228502 -0.01863858 Cs 4.43910300 4.48730613 0.06587797 0.05253975 0.04079699 -0.05079269 Cs 4.52638605 0.07487884 4.54688647 0.04519749 -0.05707249 0.03279792 Cs 0.05426684 4.42295506 4.58280374 -0.05862877 0.04817103 0.02586521 Cs 9.11935928 0.07521729 0.06258529 -0.00279573 -0.02763637 -0.03309995 Cs 13.58710388 4.57825373 0.03489326 -0.02044844 0.04850567 -0.03596312 Cs 13.54504232 0.00390640 4.47058749 -0.01466680 -0.04226935 0.04993296 Cs 8.99060486 4.47533480 4.51466370 0.02167283 0.06932637 0.05531942 Cs 18.10120601 0.08463757 0.01600947 -0.03913969 -0.04350592 -0.04330410 Cs 22.50414715 4.48558091 0.05046140 0.03831855 0.04063933 -0.04077366 Cs 22.52473353 0.05275252 4.43793012 0.03974921 -0.03679747 0.04024820 Cs 17.93187164 4.45667759 4.49575956 -0.03516485 0.06263569 0.05946439 Cs 0.04644777 8.95638793 0.06118591 -0.03340193 0.00187856 -0.03164456 Cs 4.41408973 13.53931542 0.00831572 0.05305620 -0.01245464 -0.03609044 Cs 4.49789109 8.97811408 4.53271888 0.06772403 0.01127480 0.04929743 Cs 0.03926094 13.38374099 4.47970382 -0.04039199 0.00972301 0.05702675 Cs 8.96166074 9.10431271 0.00085619 0.01433715 -0.00387508 -0.01741391 Cs 13.53095939 13.53702653 0.01372105 -0.01023289 -0.00562963 -0.01938305 Cs 13.57858795 9.07587758 4.57216835 -0.03264402 0.00498898 0.04346793 Cs 8.92776041 13.49623692 4.49602174 0.02094164 -0.01324464 0.05850975 Cs 18.02838107 9.07044930 0.08116467 -0.04214774 0.00485020 -0.04044731 Cs 22.47607852 13.56752995 0.02632423 0.03435328 -0.01386965 -0.02955505 Cs 22.43970684 8.94481397 4.51094533 0.03990229 0.00745627 0.04794082 Cs 18.06646885 13.52961831 4.53603092 -0.06660419 -0.00005141 0.05408378 Cs 0.02393624 17.92882889 0.08359056 -0.03857131 -0.01848381 -0.03658760 Cs 4.54506929 22.56687787 0.06301205 0.02596482 0.03331739 -0.03700111 Cs 4.46622772 18.05257636 4.54014913 0.04975592 -0.06101134 0.04722045 Cs 0.02852135 22.52526319 4.47322753 -0.04103051 0.03310468 0.03213867 Cs 8.93986709 18.02389066 0.00102970 0.01407860 -0.04365804 -0.03263459 Cs 13.55837732 22.49899092 0.08948248 -0.01346342 0.02529975 -0.02851309 Cs 13.42587186 17.97972821 4.54934032 0.00408334 -0.05793610 0.05600721 Cs 9.00928681 22.49507423 4.57367868 0.01064768 0.03728248 0.03332843 Cs 18.07945180 18.05367446 0.06082725 -0.05792416 -0.04618214 -0.05527873 Cs 22.59917397 22.43508508 0.06799049 0.02738669 0.02953441 -0.03041861 Cs 22.43385271 18.06820819 4.43216264 0.05747138 -0.04772143 0.06550519 Cs 18.09389037 22.47035960 4.43503864 -0.05363617 0.05009847 0.06015564 Cs 0.01297711 0.01551369 8.92894146 -0.03493400 -0.03382964 0.01566629 Cs 4.43551087 4.55485724 8.98503477 0.07702006 0.05436478 0.01542458 Cs 4.45204351 0.03422230 13.38509314 0.03860376 -0.03836231 0.00873920 Cs 0.07825344 4.57713902 13.47630602 -0.04403487 0.02945527 -0.00462372 Cs 8.94489032 0.05092559 9.09327457 0.01977850 -0.02423629 -0.00720444 Cs 13.59203360 4.44166693 8.94563086 -0.02904559 0.07195975 0.02855884 Cs 13.43117738 0.02487653 13.52409912 0.00201633 -0.02618765 -0.01148474 Cs 8.96989408 4.41681672 13.53991808 0.02379509 0.08451517 -0.01671090 Cs 18.06822038 0.01523743 8.97596364 -0.04273439 -0.04137196 0.01885316 Cs 22.51795389 4.45505042 9.10637079 0.02899509 0.04647210 -0.00669467 Cs 22.57827545 0.01127741 13.59507190 0.02105001 -0.03184038 -0.00911213 Cs 17.98778165 4.51887144 13.50264080 -0.05868631 0.06462911 -0.01047134 Cs 0.08146235 8.97343609 8.94266697 -0.03220834 0.01849481 0.01960496 Cs 4.52381924 13.51594662 8.94815771 0.06023522 -0.01826790 0.02302794 Cs 4.58997031 8.93772547 13.49069417 0.06119595 0.02461386 -0.01774664 Cs 0.06556323 13.45250774 13.49067950 -0.02549713 -0.01654553 -0.01325404 Cs 9.04476075 8.95988769 8.93944231 0.01302735 0.01020242 0.02335337 Cs 13.53477616 13.44300792 8.99114473 -0.02802478 0.00560571 0.01800184 Cs 13.43838415 9.09534210 13.55714002 -0.01125480 -0.01038621 -0.01323641 Cs 8.95439622 13.41462167 13.54613135 0.01611781 0.00519421 -0.02129879 Cs 17.92987967 9.06381523 8.94002791 -0.04516928 -0.00399525 0.03197831 Cs 22.48339495 13.50922914 8.97470928 0.02507197 -0.00231642 0.01624531 Cs 22.59958334 8.97477388 13.41648672 0.01146655 0.02014246 -0.00369357 Cs 17.93997496 13.44468741 13.54692499 -0.04475028 -0.01232686 -0.01008745 Cs 0.06375188 18.06561866 9.15190891 -0.04491516 -0.05637332 -0.01757176 Cs 4.49927598 22.50303324 8.94864443 0.04843927 0.04066564 0.01872366 Cs 4.42578283 17.98174820 13.50121987 0.08556516 -0.05841045 -0.01063429 Cs 0.08863865 22.47851446 13.50050797 -0.03041417 0.04371670 -0.00090294 Cs 8.95175479 17.96386132 8.94324566 0.02244318 -0.06181449 0.03944507 Cs 13.45559883 22.54523585 9.02502947 -0.00123560 0.01705292 0.00974025 Cs 13.55166405 17.96446801 13.51582854 -0.03439901 -0.06111934 -0.02002992 Cs 8.96884775 22.52589138 13.57486300 0.01163173 0.01647963 -0.02642358 Cs 18.01326556 18.01024379 9.09892839 -0.05847641 -0.05563035 -0.00716502 Cs 22.54187160 22.59640714 9.03503698 0.02490230 0.02011225 0.00239721 Cs 22.44320078 18.06752013 13.59044079 0.04072163 -0.06274186 -0.01444188 Cs 18.02871237 22.43527758 13.49702752 -0.05291825 0.04907997 -0.00071361 Cs 0.08349628 0.00160024 18.09810085 -0.04097705 -0.03029352 -0.04329572 Cs 4.49296014 4.52067794 18.01476136 0.05580689 0.04545551 -0.05210555 Cs 4.46461206 0.03731624 22.44597865 0.03975266 -0.03322319 0.04665724 Cs 0.02665094 4.54462476 22.60289193 -0.03652956 0.03202427 0.03181887 Cs 8.95672922 0.07047074 18.07067760 0.00910758 -0.03731199 -0.04706694 Cs 13.56860776 4.50152138 18.00930520 -0.02356316 0.07193205 -0.06379191 Cs 13.48418391 0.08098302 22.51854286 -0.00147498 -0.03317097 0.03021621 Cs 9.11770577 4.55432019 22.56870583 -0.00265745 0.03628067 0.03233031 Cs 17.97705480 0.02556413 18.02514254 -0.03266800 -0.04515916 -0.04040856 Cs 22.59347474 4.52419547 17.93476486 0.03766230 0.04080078 -0.03284298 Cs 22.52838471 0.08400540 22.47875384 0.01665817 -0.01665477 0.01885288 Cs 17.99190500 4.59000871 22.45836459 -0.03092046 0.02716871 0.04689705 Cs 0.08771733 8.97475786 17.95407970 -0.03888175 0.01156917 -0.03254647 Cs 4.44881490 13.52753193 18.02616995 0.07074961 -0.01130011 -0.05545319 Cs 4.58480036 8.93253817 22.48121745 0.03259067 0.02158451 0.04132391 Cs 0.02494329 13.55970194 22.45999016 -0.02703186 -0.01345163 0.02820043 Cs 8.92336868 9.01408157 18.08051211 0.03159118 0.01092793 -0.06550747 Cs 13.46885222 13.51605303 18.10307402 -0.01502881 -0.02115989 -0.07041630 Cs 13.53779348 8.99574351 22.60695617 -0.01575429 0.01516062 0.01605214 Cs 9.02245789 13.57403567 22.60189717 0.00467100 -0.01713552 0.01726223 Cs 18.07157235 9.03786883 18.07677443 -0.06463861 0.00700909 -0.07105872 Cs 22.47699563 13.42707876 18.09902487 0.03292985 -0.00047502 -0.05372270 Cs 22.56778361 8.91346389 22.55835561 0.02687741 0.01044806 0.03004831 Cs 17.95590912 13.50702525 22.55983808 -0.03270771 -0.01153236 0.03530540 Cs 0.01558699 18.04168705 17.94032591 -0.04748885 -0.03573570 -0.02495232 Cs 4.56515479 22.47961768 18.03484824 0.02338919 0.04585857 -0.03902539 Cs 4.55898896 17.99232629 22.53887431 0.03155694 -0.03512437 0.04130523 Cs 0.05077400 22.55070668 22.57769816 -0.01477868 0.01293709 0.01318773 Cs 9.00879304 18.04926079 17.95110995 0.00689664 -0.07801330 -0.05613248 Cs 13.40650856 22.47179286 18.10500061 0.00917291 0.04120959 -0.05440268 Cs 13.52410638 17.95989486 22.48328181 -0.01408222 -0.03126626 0.04247052 Cs 8.96380780 22.53411552 22.43408430 0.00938566 0.02678423 0.04076709 Cs 17.92650650 18.05665810 17.99710898 -0.04227387 -0.06018801 -0.04605418 Cs 22.57855975 22.47073188 18.04178324 0.02934327 0.03895035 -0.02573770 Cs 22.43269370 17.99081344 22.48476085 0.03519479 -0.03151152 0.03595473 Cs 18.01000203 22.51252757 22.58775812 -0.03051717 0.03440603 0.02884286