108 Lattice="14.4397298507085 0.0 0.0 0.0 14.4397298507085 0.0 0.0 0.0 14.4397298507085" Properties=species:S:1:pos:R:3:forces:R:3 energy=-106.58564609008003 stress="-0.0028109637026839415 0.0002903916724214001 0.0016614327762857625 0.0002903916724214001 -0.0032443416427069185 -0.0008638863980942522 0.0016614327762857625 -0.0008638863980942522 -0.0016759357795199832" free_energy=-106.58564609008003 pbc="F F F" Ca 0.04806986 0.00185871 0.03363022 -0.28173749 -0.65811137 -0.24338494 Ca 2.39261710 2.41388268 0.03209839 0.99187651 -0.19322469 -1.11454435 Cd 2.38558567 0.00843733 2.44117288 0.21766807 0.09419483 0.09704808 Ca 0.03671995 2.41140129 2.41880249 -1.15885608 -0.62739899 0.41243284 Cd 4.80197087 0.04121266 0.01287787 -0.20117449 0.05439123 0.15582760 Ca 7.18817534 2.41965247 0.02228296 0.68474193 0.56052404 -0.74390868 Ca 7.18659651 0.02174296 2.36445494 0.95266692 -0.68154882 0.16610919 Ca 4.82656026 2.43114312 2.35898193 0.15985561 0.20894947 0.18961461 Cd 9.65621720 0.02704738 0.03885849 -0.25140580 0.13458380 0.09780573 Ca 12.00193164 2.39074935 0.01926575 -0.17275927 0.70026381 -0.29767925 Ca 11.95038101 0.03564865 2.36700392 -0.09844596 -0.71793717 0.33680995 Cd 9.57468975 2.39096438 2.46260738 -0.08009319 0.12824742 -0.04095064 Ca 0.00927544 4.85677892 0.01748657 -0.60095253 0.71227007 -0.42421008 Cd 2.39313100 7.17151186 0.06489322 0.12195910 0.10280807 0.10338053 Ca 2.40523849 4.78998992 2.40995848 0.28134607 0.84038313 -0.53820676 Cd 0.01987193 7.30975209 2.48776815 0.10586976 -0.05127838 -0.04744954 Cd 4.85036353 4.78386579 0.00880335 -0.17420011 0.07081374 0.17083833 Ca 7.19275592 7.21199811 0.01393816 0.56805616 0.04398178 -0.10343458 Cd 7.30214503 4.78656162 2.37116175 -0.07171035 0.01330760 0.18091816 Ca 4.79055986 7.17484831 2.39193130 0.29536090 0.50234364 -0.45377657 Cd 9.63326248 4.82077289 0.01261665 -0.10997678 -0.04287360 0.29387331 Ca 12.03627274 7.20393768 0.00818017 -0.22892256 -0.00633761 0.17663187 Cd 12.02553361 4.80181831 2.37805198 -0.19116002 -0.06142492 0.12388522 Cd 9.67002418 7.22154668 2.41992972 -0.11819190 0.05594397 0.07562128 Cd 0.01104908 9.63326053 0.06531562 0.10061466 -0.26490962 0.04437456 Ca 2.41083914 12.05138255 0.03059080 0.53390678 0.23560839 -0.71218733 Ca 2.35937424 9.66529427 2.40171894 0.60682555 -0.48998873 0.34525652 Ca 0.01598686 12.00000756 2.42249825 -0.77653742 0.40519526 0.58659775 Cd 4.84147207 9.62808967 0.03888778 -0.03204644 0.02482353 0.20332257 Cd 7.19799938 12.04556949 0.03939574 -0.05595309 -0.36109634 0.24765653 Cd 7.22856538 9.62252438 2.41798110 -0.06280547 0.01567503 0.05828371 Cd 4.80023853 12.07718399 2.39621278 0.10862119 -0.30047904 0.20784222 Cd 9.66633356 9.64753274 0.01314837 -0.09200687 -0.07029684 0.19666378 Cd 12.06162056 12.00447417 0.02096114 -0.16874782 -0.28077252 0.19616541 Cd 12.03746190 9.54805929 2.42244757 -0.23828407 0.01002146 0.12264132 Ca 9.66272324 11.98629809 2.39706315 -0.62220520 -0.22467988 -0.12989893 Cd 0.02330885 0.03834998 4.78008746 0.26568597 0.18087503 0.04953463 Ca 2.39789242 2.40655176 4.81158349 0.11017651 -1.01641109 0.69330934 Cd 2.47298017 0.00180697 7.20948464 -0.04474435 0.29010601 0.04561594 Cd 0.01469024 2.37543843 7.17138964 0.25084028 0.02734798 0.10596552 Ca 4.87446679 0.00496171 4.79739268 -0.27333003 -0.40743869 0.68814102 Cd 7.19925277 2.39450708 4.83931432 0.06721447 0.13289493 -0.07647736 Cd 7.21383157 0.03725505 7.16105712 0.12775652 0.27611698 0.09240849 Cd 4.84221886 2.35991895 7.19376502 -0.04837681 0.19351517 0.10523836 Cd 9.61708792 0.02658602 4.79867787 -0.18995358 0.20534518 0.10211326 Ca 12.03324348 2.38035370 4.83697150 0.27219935 -0.19717295 -0.18326360 Cd 12.03741724 0.01302975 7.17975850 -0.26754202 0.22390484 0.08632347 Cd 9.66500833 2.37162214 7.20435950 -0.20658796 0.00453550 0.15698051 Ca 0.03813511 4.80516577 4.77139679 -1.51784489 0.00103032 0.12982091 Ca 2.39885979 7.18078531 4.81389431 -0.05298861 1.15213738 -0.51083548 Ca 2.43659773 4.82709576 7.18850511 0.41353948 -1.26572564 1.01402219 Ca 0.03011676 7.21727577 7.20237459 -1.32820268 0.56098999 -0.32793130 Ca 4.79884605 4.80292490 4.82498155 1.20320552 -0.87748259 0.23916274 Ca 7.21645370 7.21988946 4.80115340 0.85987328 0.23025323 -0.46234990 Cd 7.23480997 4.81172492 7.18410741 -0.05545838 -0.07255565 0.19684160 Ca 4.78140661 7.24875111 7.21645226 0.77966047 -0.39267011 0.28669510 Ca 9.66823602 4.75648912 4.81534214 -0.70233657 0.12672130 -0.44253670 Cd 12.03827433 7.22908816 4.82548167 -0.23162101 0.09648030 -0.06117784 Ca 12.01176810 4.81194598 7.22468158 0.28133837 0.00642366 0.51057122 Cd 9.67092217 7.18121980 7.26856045 -0.17095219 0.17574383 0.01632866 Cd 0.00243360 9.64686509 4.78295950 0.18569907 -0.24432959 0.12801978 Cd 2.36178062 11.99789337 4.83939560 0.22583339 -0.17498877 -0.07283912 Ca 2.40056557 9.67230233 7.26593352 0.26591167 0.25858488 -1.02362061 Ca 0.03881650 11.99629435 7.17432265 -0.33443143 0.62622398 -0.30931762 Cd 4.81563434 9.58453000 4.77591661 -0.09211163 0.08805509 0.02577325 Cd 7.18453796 11.99389755 4.83987074 -0.01915037 -0.27884521 -0.17336338 Ca 7.19854910 9.58672155 7.25764760 0.93676024 -0.02689350 0.05568739 Ca 4.78414629 12.03649846 7.24133706 0.03580617 0.80909002 -0.39548090 Cd 9.63015658 9.56269537 4.80111722 0.00714483 -0.04509794 0.01225605 Ca 12.06314483 12.07615119 4.80145069 0.53436734 -0.31400216 0.01693519 Cd 12.05268687 9.63348225 7.21821428 -0.25705122 -0.14709983 0.00837283 Ca 9.61519167 12.05913959 7.18518249 -0.49439017 -0.00566261 0.19842678 Cd 0.03520046 0.01195538 9.55195149 0.36311973 0.30762719 -0.10352370 Cd 2.44865884 2.40859856 9.58758256 0.00955017 0.05033754 -0.13276484 Cd 2.46918905 0.04061535 12.05446074 -0.02368711 0.14763842 -0.19192695 Ca 0.04019073 2.37440297 12.01296530 -0.22224937 -0.68112880 0.15449022 Ca 4.84668438 0.04011175 9.66615631 -0.41593843 -0.30104167 -1.14344253 Cd 7.23540917 2.42425871 9.62857387 0.06001468 0.17570797 -0.22309290 Ca 7.20200555 0.00569179 12.07861169 0.26460037 -0.56274568 0.59265545 Ca 4.85846753 2.36787835 12.04166252 -0.55463006 0.44617509 0.29021241 Ca 9.61798530 0.02696295 9.62898519 0.19692647 -0.20446697 -0.95677031 Cd 12.04400624 2.44646479 9.63197330 -0.14305360 -0.02212854 -0.12451220 Cd 12.02927347 0.05232252 12.05285382 -0.07388993 0.11638548 -0.19074218 Ca 9.70107469 2.35857391 12.04768523 0.00350941 0.37243122 0.24482839 Ca 0.00444333 4.80997299 9.61727349 -0.76338537 -0.39498251 -0.21684350 Ca 2.42196083 7.24084316 9.59423394 0.45670291 -0.19308252 1.19153409 Ca 2.39363338 4.78847065 12.07298057 0.64309951 0.38842234 0.38183977 Cd 0.00045748 7.16970910 12.04271953 0.22375247 0.11472514 -0.24123201 Cd 4.78046920 4.81490478 9.66749433 0.03169064 -0.03477934 -0.19669234 Cd 7.22335264 7.14815395 9.66265995 -0.03932300 0.07585787 -0.18473351 Ca 7.21559579 4.79262145 12.07001486 -0.15979828 0.15714652 -0.26758501 Cd 4.84466870 7.15338154 12.06276106 -0.08622542 0.12313805 -0.28131080 Cd 9.61587702 4.78421103 9.57012451 -0.15151092 -0.10281187 -0.03484710 Ca 12.03748555 7.22356989 9.65342900 0.19700120 0.40666717 -1.01257055 Ca 12.05085417 4.83035219 12.04675307 0.42411939 -0.36539139 0.15738826 Ca 9.57988407 7.21736700 12.00521954 -0.75393711 0.40559315 0.19226981 Ca 0.04466481 9.64842493 9.65150411 -0.69890207 -0.36463015 0.55376987 Cd 2.36400440 12.06087230 9.61520301 0.24401039 -0.09786894 0.04823564 Cd 2.42545457 9.62474372 12.04834797 0.14069063 -0.13994302 -0.22177119 Ca 0.02272077 12.01665948 11.99669061 0.13025196 0.31517681 0.28941259 Ca 4.81743498 9.60470892 9.62703677 0.27548542 0.30960872 1.56267221 Cd 7.20504492 12.02185183 9.68853995 0.05358581 -0.22259455 -0.07552204 Cd 7.20413891 9.65134189 12.05732870 -0.01157119 -0.07992656 -0.27843374 Cd 4.82080821 12.01975903 12.07033338 -0.04113434 -0.28655209 -0.37988230 Cd 9.66036616 9.64659259 9.65898829 -0.27746253 -0.15019924 -0.30804921 Ca 12.07538247 11.98770513 9.66281581 0.62178137 0.33810259 -0.86973889 Ca 11.98704664 9.65435837 11.99471734 0.72625683 -0.50432092 0.82548325 Ca 9.66808109 12.00655330 11.99625407 -1.12658592 0.37588242 0.28587602