108 Lattice="14.520697872923439 0.0 0.0 0.0 14.520697872923439 0.0 0.0 0.0 14.520697872923439" Properties=species:S:1:pos:R:3:forces:R:3 energy=-106.41480007907715 stress="-0.0016207317207288434 0.0005325570961172693 0.0018424028363848842 0.0005325570961172693 -0.001793102795493414 -0.00023962613305581149 0.0018424028363848842 -0.00023962613305581149 -0.001001806044975833" free_energy=-106.41480007907715 pbc="F F F" Ca 0.00471315 0.02673812 0.01514349 -0.49301885 -0.55525464 -0.70342427 Ca 2.45806084 2.46656724 0.01199524 0.32315922 -0.03635522 -0.98902282 Ca 2.39133338 0.02186048 2.42312339 0.22740055 -0.55300742 0.89635444 Ca 0.01062237 2.39664039 2.39417772 -0.89804222 0.36689865 1.46973082 Ca 4.82112990 0.02789527 0.04665112 0.73413492 -0.14851592 -0.09103152 Cd 7.22927060 2.41063624 0.00905972 0.07930908 0.07273960 0.29317021 Cd 7.24542665 0.04352566 2.48350185 -0.06405903 0.12848422 -0.15321901 Cd 4.86078400 2.46762121 2.40295445 0.04863677 0.01906737 0.19333537 Cd 9.68420901 0.03032778 0.03897985 -0.08161742 0.22654030 0.27702533 Cd 12.08992097 2.41562463 0.03338396 -0.21966258 0.00665687 0.18385287 Cd 12.13474378 0.03652292 2.42796156 -0.23287943 0.26108362 0.05986868 Ca 9.68895083 2.40637454 2.43922521 -0.24387704 0.25324849 -0.59496117 Ca 0.02264967 4.84047853 0.00840872 -0.93919250 -0.10810103 -0.90900887 Ca 2.40010218 7.22042780 0.00380411 -0.19304801 0.58985602 -1.31951191 Ca 2.43152115 4.83431015 2.41753379 0.36652741 -0.75267830 1.50415925 Ca 0.02916357 7.26548030 2.41540833 -1.25449512 0.35919476 0.56938577 Ca 4.82507650 4.81527517 0.02858855 1.24817073 -0.20776603 -0.57732855 Cd 7.31178637 7.28778300 0.00451190 -0.07708497 -0.18253423 0.21819403 Cd 7.24834268 4.88494025 2.46260179 0.04098570 -0.08705116 -0.01684964 Ca 4.81012250 7.26641938 2.42005292 0.65591580 -0.47540203 0.63298677 Cd 9.63821755 4.81291887 0.01567259 -0.15860762 0.02122683 0.19348852 Ca 12.10659540 7.21685039 0.01121400 0.45219898 0.17793360 -0.57925129 Ca 12.06547255 4.82919073 2.40691921 0.47743122 -0.43449605 0.65852531 Ca 9.73618623 7.29557654 2.45817349 -0.15695938 -0.33879411 0.46385629 Cd 0.00774048 9.75664775 0.03122795 0.16432745 -0.16986335 0.21975363 Ca 2.42168787 12.07868995 0.04376286 -0.10870868 0.58164203 -0.23359498 Ca 2.42652036 9.69684646 2.39667088 -0.24740606 0.47615824 0.78943774 Cd 0.04023022 12.13231283 2.41705412 0.08515215 -0.29893857 0.04860966 Ca 4.83763391 9.60838170 0.03733852 0.33992616 0.00864131 -1.11701848 Ca 7.23322904 12.07271530 0.00080599 -0.04510438 0.81829982 -0.16704309 Ca 7.21645248 9.65089498 2.43513675 0.16595261 0.66863503 0.79786970 Cd 4.86922578 12.10519294 2.39091425 -0.00879739 -0.19976525 0.18909122 Ca 9.65267554 9.67143945 0.01726065 0.37764329 0.26422544 -0.50134919 Cd 12.12013916 12.12173268 0.04391657 -0.28849272 -0.30043452 0.22786772 Cd 12.12796560 9.70400544 2.44157652 -0.24080326 0.02546338 0.07541883 Cd 9.65080124 12.08022951 2.38669907 0.05347616 -0.23831885 0.17593867 Cd 0.03040860 0.00277103 4.86629722 0.27563328 0.26687490 0.02043466 Cd 2.48253693 2.37822768 4.87191150 -0.10949205 0.24326876 -0.09604069 Cd 2.35115240 0.01069434 7.22003067 0.11547998 0.15946157 0.04626430 Ca 0.04314724 2.44911985 7.30759877 -0.25107968 -0.32643746 -0.75259806 Ca 4.81177628 0.01061950 4.82968761 -0.30339784 -0.61905256 -0.39421423 Ca 7.24560520 2.39252519 4.86006469 -0.02495007 1.17703405 -0.71328515 Ca 7.28344539 0.03384728 7.26013551 0.32216611 -0.90918933 0.02762197 Ca 4.80213104 2.40554640 7.21365533 -1.11578540 0.54224552 -0.60261783 Ca 9.63811768 0.01245039 4.83865006 0.82584363 -0.58182329 0.06313020 Cd 12.10905153 2.37419331 4.81170824 -0.22500983 0.09319532 0.10523562 Cd 12.14878906 0.03190085 7.29909671 -0.34378610 0.34153008 -0.03324867 Cd 9.73603700 2.46678561 7.21739516 -0.06447236 -0.02057645 -0.00418107 Cd 0.00691583 4.80955439 4.91721437 0.27639208 0.01333207 -0.12999838 Ca 2.38848125 7.26538693 4.87619436 0.33119452 0.06424299 1.28900915 Cd 2.38871714 4.77747213 7.24996537 0.16900376 0.18452950 -0.09991537 Cd 0.04106363 7.31249421 7.24705485 0.15331135 -0.12641683 0.00808077 Cd 4.81070744 4.85439612 4.78692795 0.03683509 -0.10712619 0.11917392 Ca 7.28246280 7.27419959 4.81926180 -0.03286350 -0.10856367 0.80264863 Ca 7.26279820 4.87558076 7.28826306 0.43492638 0.20212597 -0.85968293 Cd 4.87334127 7.28006431 7.25616866 -0.14294095 0.04167719 -0.05984404 Cd 9.67495983 4.83376303 4.89608084 -0.03327329 -0.02635621 0.00785465 Cd 12.13329551 7.21873831 4.87834477 -0.29654483 0.08829472 0.03229762 Ca 12.09500249 4.85933384 7.26242716 0.07479652 -0.48257721 -0.61365240 Cd 9.71162383 7.26736419 7.30433915 -0.09255475 0.07194872 -0.14477517 Cd 0.00296283 9.64699106 4.89686977 0.21311606 0.04663650 -0.00034562 Ca 2.40603297 12.11845002 4.80880748 0.26631830 -0.11334729 0.30745678 Cd 2.40851522 9.67647025 7.28831538 0.16076886 0.01918170 -0.08686753 Cd 0.02967392 12.06699012 7.23060894 0.25530046 -0.31382777 0.07825428 Cd 4.91952020 9.69663320 4.83998247 -0.16500411 0.02134274 0.09542286 Cd 7.28449970 12.08644243 4.83296574 -0.10188068 -0.29984964 -0.04340276 Cd 7.33062336 9.61693169 7.20145369 -0.06849416 0.05161621 0.03503471 Cd 4.85706942 12.11433429 7.23078152 0.00917877 -0.33147434 0.01200723 Cd 9.64420040 9.63665044 4.81554116 0.12799446 0.14229046 0.14956262 Cd 12.10190876 12.14435019 4.85373766 -0.36216745 -0.36360603 -0.02519294 Cd 12.12707498 9.70107269 7.23700546 -0.31030214 -0.06696084 -0.06409845 Ca 9.64062439 12.13866119 7.27101934 0.47805419 0.01343629 -0.75808957 Cd 0.04486676 0.01344403 9.69200502 0.29025555 0.19443650 -0.03439310 Ca 2.43186096 2.44369888 9.67364188 0.19941087 -0.33674359 0.24589438 Cd 2.43374137 0.00770803 12.07046723 0.06491272 0.23417243 -0.26646265 Ca 0.04259860 2.44860028 12.11085481 -0.15108232 -0.25037748 0.46813438 Ca 4.87841954 0.03868482 9.68096764 -0.57237870 -0.93062446 0.44851220 Ca 7.22258429 2.41100614 9.65344615 0.59770105 0.37130336 0.91726905 Cd 7.21453233 0.01574749 12.08034902 0.10418545 0.26066707 -0.16069761 Cd 4.86020739 2.41596888 12.03802034 -0.07762592 0.13234018 -0.04319153 Ca 9.66059071 0.00392099 9.67262574 0.28378886 -0.03527249 -0.03456304 Cd 12.08037973 2.37870106 9.67096884 -0.21195756 0.12179279 -0.08268048 Ca 12.11849493 0.03256903 12.13652550 0.06826122 0.23376354 0.04728311 Cd 9.68765097 2.42321742 12.12926502 -0.13362929 0.06275462 -0.25741405 Ca 0.02263558 4.87991226 9.71613216 -0.51023660 0.27760928 -0.65838732 Ca 2.42872142 7.25641869 9.68824967 0.40512683 0.04189017 -1.01818452 Cd 2.43854763 4.81708841 12.07225855 0.17579510 -0.03417156 -0.08463428 Ca 0.01972616 7.19007300 12.12363233 -0.08869170 0.18405315 0.97063927 Ca 4.81915295 4.79195443 9.63446087 -0.30867258 0.25422093 0.37970546 Ca 7.21714765 7.29695566 9.66961002 0.45828512 0.13166889 -0.03074938 Cd 7.24199559 4.78535317 12.14846577 -0.01369560 0.00759655 -0.34168192 Ca 4.76992665 7.26503895 12.12542697 -0.00479593 -0.05948236 1.08777437 Ca 9.67034554 4.81184627 9.71125531 0.22380933 -0.34394416 0.63412282 Ca 12.09563799 7.28892292 9.70051345 0.41999147 0.23131244 0.23957914 Cd 12.13170741 4.76038327 12.11831537 -0.27692867 -0.04928140 -0.33419764 Cd 9.69760331 7.27898472 12.08407446 -0.14106518 0.05728365 -0.16835408 Ca 0.04830677 9.63271854 9.67852556 -0.18456935 0.27848822 -0.76029815 Cd 2.41993045 12.14101384 9.66659661 0.10115745 -0.27879229 -0.17544142 Cd 2.37173127 9.68379655 12.14128874 0.11589649 -0.05495715 -0.16771729 Ca 0.01136370 12.12091743 12.02610212 0.20108907 0.13058240 0.20419120 Ca 4.88207228 9.70800370 9.70166735 -0.65173082 0.16505137 -0.95067456 Ca 7.26767548 12.11645044 9.63415996 -0.43352767 0.36472078 -0.35574273 Cd 7.22495364 9.65326017 12.04734938 0.17100045 -0.03537278 -0.05036107 Ca 4.81561465 12.09367508 12.12626647 -0.33376611 0.10237652 0.43690369 Ca 9.71952969 9.68986531 9.66182842 0.06053170 -0.50822152 -0.17797186 Cd 12.08690629 12.09057378 9.75905493 -0.13205538 -0.22415698 -0.14814759 Cd 12.13016383 9.72000654 12.07302077 -0.19008456 -0.05393851 -0.21852700 Ca 9.67220666 12.08047554 12.08318873 0.10448906 0.13145284 0.53771904