108 Lattice="14.555512189968145 0.0 0.0 0.0 14.555512189968145 0.0 0.0 0.0 14.555512189968145" Properties=species:S:1:pos:R:3:forces:R:3 energy=-105.09617943165911 stress="-0.0009412221596059404 0.0017345149474846657 0.0019929686847784444 0.0017345149474846657 -0.002479242345596383 0.0004753407794598853 0.0019929686847784444 0.0004753407794598853 -0.0013614059175499707" free_energy=-105.09617943165911 pbc="F F F" Cd 0.04595276 0.00468794 0.01297919 0.25264515 0.28671066 0.26053599 Cd 2.41967022 2.47656301 0.00750362 0.17856957 -0.07053856 0.26912508 Cd 2.47426520 0.01033887 2.50537449 0.05353396 0.24447580 -0.00103023 Cd 0.04179925 2.43653194 2.44295069 0.19393102 -0.01531106 0.08896968 Cd 4.89995626 0.03620094 0.02242365 -0.15608621 0.19392199 0.18632206 Ca 7.30646395 2.38386415 0.02046767 0.11450265 0.14421077 -0.75270186 Ca 7.29599183 0.00990224 2.38890005 0.41527556 -0.85596096 0.33372036 Ca 4.86958828 2.44432126 2.44169449 -1.17133020 0.07037896 -0.14955270 Cd 9.67966495 0.01868578 0.00757659 0.05585823 0.19667500 0.25576081 Ca 12.10347420 2.40129389 0.03956275 0.10862940 -0.57590975 -0.10351961 Cd 12.12364065 0.00394532 2.49075269 -0.34602330 0.18794760 -0.04306431 Cd 9.74537809 2.38665565 2.39076333 -0.20083345 0.05756422 0.14513360 Ca 0.03319559 4.81415657 0.04407816 -0.23813282 -0.65352828 -0.15299417 Ca 2.37836930 7.28328617 0.04149495 1.40787020 -0.30827276 -0.46967176 Cd 2.50381760 4.83822745 2.41412329 0.05498286 0.05032931 0.12131621 Ca 0.00779599 7.24594741 2.46546945 -0.52653482 -0.55894486 0.79132657 Cd 4.90104692 4.82443428 0.02606521 -0.04073091 0.14489373 0.21849076 Cd 7.34778866 7.31738785 0.01700853 -0.15801655 -0.05759464 0.19728364 Ca 7.30149477 4.88400707 2.46357871 -0.63725862 0.11160502 -0.42947665 Cd 4.85580194 7.18998205 2.50772288 -0.13001754 0.07626951 -0.10191828 Ca 9.73024736 4.89665847 0.03331143 -0.67447362 -0.33677075 -0.97577317 Ca 12.09333416 7.24661910 0.04584467 1.14428112 0.42708931 -0.61797968 Ca 12.12230557 4.82667007 2.46395798 0.84655599 -0.01598102 0.41134022 Ca 9.75938278 7.23898924 2.41097383 0.03693867 0.96912568 0.88382468 Ca 0.01726338 9.74299165 0.00153492 -0.81897837 -0.21999987 -0.72593871 Ca 2.46552922 12.15945256 0.00079141 0.84585723 0.43868568 -0.46188829 Ca 2.43929283 9.69500614 2.46640464 1.13807612 -0.11891574 0.36659074 Ca 0.00109450 12.15627921 2.40035689 -0.48454721 0.78327201 0.54102659 Cd 4.85467906 9.72697809 0.04519477 -0.02367978 -0.18307597 0.26469493 Ca 7.23905632 12.11837204 0.04259996 -0.70328497 0.41014626 -0.45598192 Ca 7.31228619 9.67711150 2.43518821 -0.68596919 -0.50625057 -0.20390212 Cd 4.81405631 12.09188431 2.46021827 -0.00921956 -0.13528400 -0.03585690 Ca 9.73965973 9.67675023 0.03598413 0.18736372 0.01024540 -0.93356677 Cd 12.17742619 12.09032214 0.03015062 -0.23462386 -0.23808415 0.23821295 Cd 12.17518944 9.68881397 2.40716618 -0.25043893 -0.03387557 0.09763758 Ca 9.70123467 12.12719512 2.37363427 0.63044907 0.50043618 0.23211052 Cd 0.03144811 0.03053878 4.88681654 0.20517530 0.13868559 -0.07933409 Ca 2.35929766 2.45984069 4.87190961 0.18193562 -0.25796523 -0.95867149 Cd 2.36004195 0.02752694 7.27805387 0.10026036 0.15547063 0.06653923 Ca 0.02611120 2.45440715 7.23303108 -0.56959723 -0.19221627 0.62290538 Cd 4.84595635 0.02294221 4.88649970 0.01182986 0.18949859 -0.01258344 Ca 7.27364087 2.41564200 4.82330162 0.13489639 -0.56673176 0.05697327 Cd 7.27735754 0.03233106 7.28363897 -0.02189279 0.18282762 -0.03650421 Ca 4.80802780 2.40366350 7.26989341 -0.38748040 -0.76678092 0.09567032 Cd 9.75797492 0.02886312 4.81135076 -0.11577046 0.19182791 -0.02918568 Ca 12.11017895 2.41820115 4.77427461 0.40966446 -0.53922751 0.18343532 Cd 12.17430645 0.04475258 7.31336181 -0.27995330 0.27784096 0.01580513 Ca 9.71516955 2.43635001 7.24003901 0.58953170 -0.24850064 0.38793866 Cd 0.04831265 4.86497734 4.79403586 0.12887237 0.02890423 -0.05905485 Cd 2.44127135 7.21692269 4.77587858 0.18038932 -0.01759727 0.09367540 Ca 2.40204087 4.86731357 7.29359904 0.01685109 0.17420049 0.07401544 Ca 0.04173511 7.20514615 7.24748179 -0.13274101 0.26123679 0.27305737 Cd 4.85600505 4.84088574 4.83761193 -0.05547096 0.10043454 0.05779264 Ca 7.26139979 7.28575634 4.81294116 0.07437091 0.37483416 0.47903980 Ca 7.24530654 4.87023295 7.29672161 0.39492490 0.15880356 -0.06382220 Ca 4.85987973 7.27029971 7.31920788 -0.86786952 0.28076710 -0.61476267 Ca 9.67535513 4.86786951 4.88246366 0.70605061 0.31477591 0.33605885 Cd 12.16478256 7.24561060 4.82991293 -0.30995013 0.06085822 0.08027786 Cd 12.16888259 4.81550574 7.33486345 -0.33366620 -0.01282235 -0.00113884 Cd 9.61429036 7.26131828 7.23343442 0.05922385 0.08444339 0.11654975 Ca 0.01930772 9.71448429 4.85463952 -0.05294569 0.19027340 0.70984219 Cd 2.40982580 12.13766316 4.87027463 0.12372473 -0.19492105 0.05313641 Cd 2.48706102 9.72266621 7.30343129 -0.09018624 -0.07258498 -0.10782519 Cd 0.01339851 12.09048814 7.30401360 0.29578531 -0.30945546 -0.01235138 Ca 4.87140688 9.74428555 4.85311375 -0.79992530 0.03466468 0.47818589 Ca 7.21727509 12.17381136 4.83223392 0.22952944 0.47482732 0.70339475 Cd 7.24534885 9.68258621 7.27545193 0.07814306 0.01237100 -0.00131896 Cd 4.85810376 12.13005307 7.30252018 -0.06154925 -0.25844358 -0.03378468 Cd 9.64774112 9.74500612 4.86009656 0.01004246 -0.14691886 0.06810380 Ca 12.07350836 12.17141335 4.83850369 0.07904759 -0.31865293 0.34610728 Cd 12.09504880 9.68708909 7.26731625 -0.29255606 -0.05401070 -0.09931631 Cd 9.73999826 12.17095422 7.29729825 -0.18137341 -0.26315969 -0.07230939 Cd 0.01014078 0.02115775 9.73888117 0.23129032 0.34045115 -0.16898718 Cd 2.44028209 2.37792770 9.76679378 0.01774335 0.17732637 -0.18934171 Ca 2.41014132 0.03820025 12.11787750 0.13719095 0.16506223 -0.10120759 Cd 0.00565289 2.49131363 12.10130196 0.26863497 0.10354819 -0.37095179 Cd 4.81493522 0.03098336 9.69312911 0.08311852 0.24730290 -0.05025116 Ca 7.30382896 2.42904199 9.66319484 -0.39787858 -0.09887650 -0.09604000 Ca 7.29590994 0.04602385 12.17452569 -0.75712128 -0.45223551 0.40051142 Cd 4.82495405 2.44158663 12.12424233 0.07566851 0.12329821 -0.28728300 Ca 9.71702301 0.02452669 9.69674135 0.17073744 -0.89459821 -0.88816110 Cd 12.12698807 2.38799001 9.74061862 -0.16573325 0.22557536 -0.22531467 Ca 12.15618944 0.01292289 12.08723648 0.53090046 -0.24351980 0.25059638 Ca 9.72547368 2.40311495 12.11474658 0.50120899 0.95190521 0.55046871 Cd 0.01371974 4.85321135 9.70073757 0.26793782 -0.02937179 0.08866581 Cd 2.39875588 7.23947578 9.65504182 0.01860629 0.07165076 0.12759803 Cd 2.39968033 4.85723380 12.10496928 0.05322070 0.00523639 -0.30058127 Cd 0.00443321 7.26019029 12.16836458 0.33486020 -0.02151571 -0.38325941 Ca 4.81407351 4.85406514 9.70798500 -0.99004547 -0.48451314 0.59345092 Ca 7.25049305 7.29022296 9.73211428 1.30911338 0.46075557 -0.29612020 Ca 7.28908667 4.87651725 12.11059658 0.38873949 -0.31495331 0.73869456 Ca 4.88353704 7.26866361 12.10722153 -0.64594949 0.05070420 0.87156070 Cd 9.75398809 4.80681230 9.74406504 -0.06772699 0.08700309 -0.15507755 Ca 12.12702830 7.31388673 9.71989248 -0.02892363 -0.40688726 -0.20611600 Cd 12.10577584 4.81310097 12.12465571 -0.29537666 -0.01955486 -0.29139288 Cd 9.67892738 7.27832609 12.11095979 -0.01361092 0.02106818 -0.17776934 Cd 0.03268689 9.71069361 9.68230132 0.27196171 -0.10604156 -0.08107522 Ca 2.46063925 12.11992671 9.71861153 -0.25463481 0.54053020 -0.41520277 Ca 2.40900741 9.69069882 12.13482708 -0.53613634 -0.17632260 0.43929095 Cd 0.01342544 12.11433755 12.15949545 0.21291242 -0.21749118 -0.23810266 Ca 4.79020771 9.65632507 9.69151751 0.09110591 0.42468207 -0.39580154 Ca 7.27063543 12.16259968 9.65802399 -0.30917046 0.23182472 -0.52202314 Cd 7.23320479 9.68047388 12.13456056 -0.00678227 0.04361922 -0.19155211 Cd 4.90293286 12.15392840 12.09220206 0.02021380 -0.33458854 -0.16959771 Ca 9.69827619 9.69523495 9.69819355 -0.27522169 -0.52564408 -0.57042472 Ca 12.11601234 12.14750530 9.71036878 0.54083925 0.06681557 -0.57340989 Cd 12.15609657 9.69581237 12.10233501 -0.21015381 -0.05106349 -0.12181683 Ca 9.70614538 12.09379457 12.08356482 -0.20400082 0.15157645 1.00087680