256 Lattice="23.25366432701703 0.0 0.0 0.0 23.25366432701703 0.0 0.0 0.0 23.25366432701703" Properties=species:S:1:pos:R:3:forces:R:3 energy=-295.8130464411147 stress="-0.000583599109387095 3.932560992986046e-06 2.2983745665505894e-05 3.932560992986046e-06 -0.0005623993155210413 -1.6834835143189757e-05 2.2983745665505894e-05 -1.6834835143189757e-05 -0.0005636219483118327" free_energy=-295.8130464411147 pbc="F F F" Ca 0.03958109 0.00803894 0.05611330 -0.13127421 -0.14526136 -0.12442626 Ca 2.89324437 2.86339583 0.04757821 0.20943177 0.23204973 -0.25254332 Ca 2.92371291 0.03452530 2.93922666 0.21249747 -0.32295407 0.09790153 Ca 0.02018066 2.86058149 2.93004906 -0.28974096 0.28287136 0.11013756 Ca 5.84025446 0.02809899 0.00591425 -0.00406455 -0.14012105 -0.13150225 Ca 8.77951254 2.88214330 0.04802986 -0.10341416 0.26802868 -0.20916523 Ca 8.75106231 0.03963097 2.87223326 -0.04807464 -0.21335351 0.27828652 Ca 5.82380527 2.93220270 2.94472005 0.02118983 0.27165806 0.13153767 Ca 11.58675708 0.01422906 0.05477225 0.07684689 -0.18186341 -0.18210671 Ca 14.48253458 2.92530574 0.04751045 0.08893850 0.17496582 -0.24595358 Ca 14.57607040 0.03329166 2.86156966 -0.08460735 -0.20245060 0.29290444 Ca 11.66412597 2.95042718 2.93900039 -0.05351695 0.18929413 0.27298020 Ca 17.44034783 0.05021899 0.02746313 -0.11145671 -0.19293688 -0.22170189 Ca 20.31486438 2.92710574 0.03869769 0.21364966 0.10105964 -0.24854212 Ca 20.38067700 0.01849093 2.89516754 0.16957192 -0.19561671 0.14077482 Ca 17.48623320 2.90090313 2.91294059 -0.31950373 0.23258780 0.24784324 Ca 0.05114329 5.85224737 0.03277971 -0.20893394 -0.07163331 -0.18348806 Ca 2.91062514 8.68285272 0.01647470 0.18328636 0.09094734 -0.25945144 Ca 2.88217110 5.83719237 2.86768871 0.25447644 -0.06455207 0.36072914 Ca 0.00520082 8.74822171 2.85662312 -0.21182507 -0.02010780 0.27236659 Ca 5.79972163 5.85683254 0.01343283 0.05634644 -0.09955345 -0.18432442 Ca 8.78843414 8.66990099 0.00121632 -0.05643907 0.10931199 -0.11473212 Ca 8.70322327 5.86521255 2.87752442 0.04568829 -0.01005413 0.35319928 Ca 5.76291899 8.64689332 2.93933230 0.14376128 0.11464629 0.26011342 Ca 11.62881289 5.77042519 0.02068026 0.00525271 0.07897678 -0.14517646 Ca 14.48274684 8.71055826 0.05268982 0.02838646 0.06670050 -0.14570164 Ca 14.56418227 5.80521383 2.89010514 -0.06314271 0.02831498 0.30010779 Ca 11.64895102 8.75331057 2.92922287 -0.04870618 -0.08048960 0.19132109 Ca 17.49752023 5.88683834 0.05067128 -0.27009144 -0.05368278 -0.25710114 Ca 20.34299132 8.77409592 0.02805651 0.21054987 -0.05361031 -0.19280470 Ca 20.36571736 5.79251909 2.85299984 0.22855938 0.07573085 0.26577298 Ca 17.46059578 8.68487342 2.93607219 -0.30974079 0.10101024 0.26473092 Ca 0.03500476 11.64574723 0.04644130 -0.19850487 -0.01207392 -0.21242669 Ca 2.91746549 14.47586814 0.05805860 0.25123791 0.10390764 -0.20704466 Ca 2.89947933 11.59316919 2.85976992 0.28668832 0.03019073 0.38305567 Ca 0.00224494 14.57415865 2.88979341 -0.19773743 -0.06465746 0.20439010 Ca 5.82218593 11.60567452 0.03876832 0.04767250 -0.08791532 -0.12172490 Ca 8.63927037 14.49675146 0.00181567 0.06155275 0.05815949 -0.17392519 Ca 8.77235268 11.67118238 2.91248088 -0.07864300 -0.13500938 0.26802754 Ca 5.85612603 14.51736659 2.95966706 -0.07877286 -0.00125810 0.20293111 Ca 11.60748023 11.68931492 0.01573859 0.00253074 -0.06282858 -0.16616473 Ca 14.56045348 14.46434343 0.02626106 -0.03297025 0.10350176 -0.14556702 Ca 14.48261142 11.69366758 2.93632499 0.08256441 -0.08507848 0.18943761 Ca 11.56929310 14.56944876 2.89493630 0.06823262 0.00862629 0.30081472 Ca 17.49634559 11.60617479 0.03692122 -0.30973097 -0.04010742 -0.22203913 Ca 20.30930134 14.56089798 0.02326910 0.20816678 -0.02536273 -0.16959700 Ca 20.29807469 11.57956609 2.88361300 0.25259659 0.07156162 0.30059408 Ca 17.48330455 14.48569007 2.88835557 -0.32465228 0.06241127 0.33162261 Ca 0.03480555 17.42781675 0.01120284 -0.16141179 -0.10236642 -0.19750938 Ca 2.95929022 20.30691855 0.02112021 0.06699551 0.18128846 -0.15821608 Ca 2.87415922 17.41538563 2.96300014 0.34600741 -0.22783429 0.13357701 Ca 0.00403022 20.31705838 2.93709220 -0.17719476 0.19416025 0.07547175 Ca 5.87147984 17.49106311 0.04483369 -0.08023580 -0.30883261 -0.21245578 Ca 8.67958466 20.39833219 0.00435533 0.08877532 0.15865458 -0.12748694 Ca 8.71536763 17.44825689 2.90414505 0.09846000 -0.22646275 0.26779207 Ca 5.84238356 20.29258539 2.88896510 -0.03435373 0.22010635 0.28719508 Ca 11.60796673 17.48059031 0.01523834 -0.01959769 -0.23839788 -0.18770562 Ca 14.49555904 20.35232625 0.00987998 0.02970105 0.15360095 -0.20409811 Ca 14.52558140 17.48272118 2.90542196 0.01595074 -0.40200489 0.19957719 Ca 11.69837036 20.39434246 2.91294786 -0.12878511 0.16808006 0.16509663 Ca 17.45495076 17.44842981 0.02773771 -0.23205168 -0.15235016 -0.25862289 Ca 20.35205017 20.36902797 0.03694746 0.10413688 0.10848748 -0.11774879 Ca 20.28989105 17.48712005 2.90078657 0.26511992 -0.19597260 0.20158038 Ca 17.40661588 20.36626515 2.86672920 -0.11733831 0.25735981 0.22780518 Ca 0.01917570 0.03138458 5.77288059 -0.18993808 -0.22011601 0.07949870 Ca 2.88487670 2.86017999 5.75544953 0.25386535 0.39355642 0.12181407 Ca 2.95367656 0.01505069 8.69185180 0.11748079 -0.21221965 0.03752171 Ca 0.04758202 2.86362735 8.73357919 -0.17257382 0.20546993 -0.04507466 Ca 5.81754596 0.05323457 5.80317204 0.07794049 -0.17961549 0.01520219 Ca 8.71567864 2.95444849 5.76732095 0.02149664 0.24878078 0.10193226 Ca 8.73600468 0.03443711 8.64584232 -0.06069399 -0.10071663 0.05771817 Ca 5.75618427 2.93202483 8.73042383 0.09605192 0.24912808 -0.01908295 Ca 11.57428610 0.00633136 5.85718260 0.05830983 -0.15997111 -0.12950730 Ca 14.47700312 2.89516333 5.84156842 0.11037142 0.28326871 -0.02912174 Ca 14.48951167 0.04631896 8.67755385 0.04358179 -0.18440582 0.09897546 Ca 11.65492365 2.90662364 8.69786675 -0.07144496 0.31057172 0.10713084 Ca 17.46492145 0.00218246 5.84624597 -0.18918438 -0.15970117 -0.01640232 Ca 20.33834656 2.92445086 5.78952524 0.19542007 0.14357674 0.07359881 Ca 20.30602157 0.03163365 8.78388279 0.16678747 -0.17251638 -0.06236919 Ca 17.42110395 2.92022887 8.74730200 -0.26702809 0.23330863 -0.06849168 Ca 0.00777939 5.83719357 5.81005598 -0.18613383 -0.05123006 -0.01833548 Ca 2.86899707 8.66425580 5.85841259 0.27813125 0.11325611 -0.13065186 Ca 2.87993937 5.86596258 8.66371678 0.30248068 -0.09390498 0.15936202 Ca 0.01928071 8.74663101 8.69063077 -0.21209179 0.00724815 0.04463946 Ca 5.80625826 5.79516858 5.90176742 0.05537876 0.06552465 -0.10331816 Ca 8.77693004 8.76565529 5.82382490 -0.06786300 -0.11714407 -0.06947448 Ca 8.72819245 5.85085359 8.73586141 -0.01890636 -0.04038019 -0.01242578 Ca 5.83335138 8.76665057 8.66394190 -0.01586053 -0.07643089 0.12891349 Ca 11.65198602 5.81645388 5.87061900 -0.03619674 0.07860416 -0.04193240 Ca 14.48515087 8.73224867 5.76621587 0.08805511 -0.04509456 0.11122750 Ca 14.53432651 5.89506673 8.78321968 -0.02844612 -0.07530159 -0.09322582 Ca 11.58895589 8.75649904 8.74573903 0.08121550 -0.01188964 -0.04736588 Ca 17.41912349 5.79602715 5.80095358 -0.24610830 0.03525802 0.06767433 Ca 20.36113372 8.69357489 5.81344571 0.09160572 0.03228069 0.07334541 Ca 20.33235417 5.78014377 8.71925537 0.12981700 0.08240377 -0.00936860 Ca 17.39706046 8.66673475 8.75501275 -0.17267701 0.06740835 -0.05801893 Ca 0.03974606 11.67725700 5.75279972 -0.15766685 -0.05622411 0.03492264 Ca 2.90924303 14.53977983 5.86801890 0.30062913 -0.09166386 -0.08155215 Ca 2.89897253 11.60105766 8.67741434 0.27928462 0.05999694 0.05354508 Ca 0.00581753 14.55576719 8.67344868 -0.15187584 -0.03959323 0.10730811 Ca 5.81240223 11.57438944 5.77993860 -0.00879453 0.07696544 0.01531321 Ca 8.70248230 14.53647950 5.84988618 0.08273078 -0.05856762 0.02714917 Ca 8.70466524 11.57267335 8.67759178 0.00339609 0.15834383 0.08240653 Ca 5.81176736 14.52622571 8.77546023 0.06756835 -0.12098868 -0.07714252 Ca 11.68247364 11.58560744 5.83605110 -0.11682816 0.10132519 0.01753348 Ca 14.48907657 14.47853442 5.86718798 0.06392161 0.13395212 -0.05888840 Ca 14.58890402 11.63593519 8.68443561 -0.07614415 -0.07113600 0.10726710 Ca 11.60066965 14.48970993 8.69437895 -0.03364949 0.02616509 0.11062052 Ca 17.41903030 11.66683719 5.85576995 -0.16398949 -0.10800810 -0.03948906 Ca 20.35105102 14.55947417 5.85152651 0.16282433 -0.08356642 -0.10007619 Ca 20.31171416 11.67124195 8.75640224 0.14863462 -0.09455474 -0.08470357 Ca 17.49223539 14.54218298 8.74377115 -0.39820227 -0.04794054 -0.06601360 Ca 0.00844937 17.42727926 5.79977415 -0.23501384 -0.15429892 0.06710049 Ca 2.91257326 20.30506698 5.79325220 0.24370349 0.22188330 0.01007173 Ca 2.94922303 17.45468790 8.66338720 0.12506656 -0.24389593 0.08084400 Ca 0.04832379 20.37462609 8.66937095 -0.15682668 0.11426388 0.02927386 Ca 5.84855113 17.38793770 5.86426544 -0.01869473 -0.13878599 -0.04353233 Ca 8.74591363 20.29795815 5.78789980 -0.02163379 0.17594368 0.03272927 Ca 8.71182071 17.48879045 8.68121053 0.06330049 -0.30800257 0.13642600 Ca 5.78908755 20.38734632 8.76857095 0.10545295 0.14041714 -0.11702704 Ca 11.73179034 17.46276695 5.84141879 -0.14654840 -0.33679107 -0.04405805 Ca 14.54460690 20.32538580 5.80217516 0.06155615 0.19610851 0.06216274 Ca 14.53439417 17.44712277 8.77508305 -0.00246673 -0.28267084 -0.04865500 Ca 11.68145384 20.30016229 8.67676156 -0.06930210 0.18655260 0.10957318 Ca 17.42998045 17.42835391 5.79752429 -0.29817028 -0.23852403 0.04219180 Ca 20.34997412 20.30200065 5.87291101 0.12196291 0.16668971 -0.03144081 Ca 20.30431004 17.38592559 8.68957675 0.20945028 -0.07182984 0.04794837 Ca 17.43492280 20.37693180 8.74029845 -0.17562956 0.14271483 -0.01789360 Ca 0.03948692 0.01760608 11.65532901 -0.15008429 -0.17031411 -0.00935344 Ca 2.90275819 2.88740607 11.68250661 0.27083039 0.27908810 -0.07764324 Ca 2.93204547 0.04815769 14.54581829 0.19586548 -0.21647568 -0.03332212 Ca 0.01160851 2.91556305 14.57649119 -0.18566454 0.22328283 -0.03393077 Ca 5.88193706 0.04398571 11.57503396 -0.03754340 -0.19230735 0.03992347 Ca 8.70992906 2.90155179 11.63479281 0.11851111 0.28502785 -0.09637159 Ca 8.76469983 0.05238042 14.50515805 -0.08532459 -0.18875545 0.06011207 Ca 5.84923068 2.89389386 14.51890344 -0.02250623 0.21617487 0.04971240 Ca 11.57497719 0.00528693 11.60673959 0.09564288 -0.11813763 -0.01454406 Ca 14.56608117 2.92814155 11.66778581 -0.17464461 0.18810990 -0.10047484 Ca 14.53320554 0.05394599 14.56003727 -0.04053669 -0.21169184 -0.08662053 Ca 11.65704826 2.85523509 14.57420565 -0.06334809 0.43582771 -0.16540084 Ca 17.41586413 0.02357531 11.65015395 -0.19887145 -0.21494194 -0.04040713 Ca 20.36536282 2.91006769 11.56137221 0.20318340 0.16689326 0.10486636 Ca 20.30297125 0.00506272 14.52223223 0.19927784 -0.12520607 -0.05188328 Ca 17.44091277 2.93661590 14.46394958 -0.21038294 0.20600600 0.07416547 Ca 0.05774839 5.76821207 11.59557319 -0.13407919 0.09520591 0.03759451 Ca 2.93596146 8.76236392 11.61070908 0.28961959 -0.10097939 -0.01828894 Ca 2.95166846 5.82508891 14.55782419 0.17425441 0.02939332 -0.02540680 Ca 0.03925546 8.77118282 14.47870253 -0.09149559 -0.11075339 0.06262327 Ca 5.85729441 5.75778309 11.66049563 -0.09759217 0.14828685 -0.14870425 Ca 8.67375578 8.77036184 11.59475925 0.03313778 -0.05328214 0.08592905 Ca 8.67561184 5.77497175 14.50530232 0.19771325 0.11101328 -0.00291032 Ca 5.80291838 8.67769655 14.51011059 0.03968359 0.06870042 0.04532839 Ca 11.63893088 5.84877908 11.57579617 -0.10771126 -0.04803818 0.13426294 Ca 14.43459632 8.75293794 11.64308704 0.11357205 -0.02631453 -0.01452652 Ca 14.50000218 5.83550178 14.47664619 -0.04578944 0.07010385 0.04765215 Ca 11.56865832 8.77062574 14.58073379 0.01257777 -0.12152151 -0.09838649 Ca 17.44530568 5.77267283 11.65969749 -0.21915243 0.17548587 -0.05109579 Ca 20.35943541 8.77175239 11.58659751 0.13700748 -0.10881778 0.05220424 Ca 20.30669095 5.77434774 14.54959452 0.17160517 0.10917723 -0.07873879 Ca 17.40900042 8.74312996 14.47726823 -0.16936469 -0.11111770 0.03974473 Ca 0.03367133 11.58147720 11.63666579 -0.15471771 0.12190707 -0.05172210 Ca 2.88601826 14.53218273 11.59523468 0.20344726 -0.02796670 -0.04741517 Ca 2.95785829 11.70832963 14.50409185 0.17618378 -0.11607088 0.05540400 Ca 0.00727798 14.58712927 14.51529962 -0.19071425 -0.12390667 -0.04157535 Ca 5.80989203 11.66830658 11.67940469 0.03621871 -0.06086082 -0.11052441 Ca 8.69780317 14.49610709 11.66717017 0.06725956 -0.01820434 -0.07469343 Ca 8.67054013 11.58819756 14.58901458 0.07092266 0.04502443 -0.13224039 Ca 5.76804893 14.51748521 14.56671668 0.11820659 0.06037211 -0.06900567 Ca 11.66914404 11.58841605 11.63497960 -0.11683899 0.14074037 0.01043305 Ca 14.55724931 14.50084876 11.58257299 -0.12321185 -0.02890832 0.10272901 Ca 14.54821682 11.57602808 14.53964732 -0.10493200 0.13207358 0.01728621 Ca 11.57930126 14.55013566 14.56264955 0.12273275 -0.19500289 -0.11921447 Ca 17.45028664 11.58146437 11.64883697 -0.31565672 0.01000923 -0.10138234 Ca 20.29134810 14.54745016 11.58295091 0.25449264 -0.01926851 0.05005812 Ca 20.32329586 11.67390368 14.51712725 0.21141547 -0.10682131 0.02249536 Ca 17.49157113 14.47414784 14.43662577 -0.42511822 0.08850247 0.11254822 Ca 0.02251699 17.48139114 11.65882445 -0.18365778 -0.18351014 -0.15003706 Ca 2.95352428 20.34390020 11.56078139 0.10289592 0.17242776 0.09922216 Ca 2.86838754 17.38976263 14.50559930 0.35525386 -0.11143601 -0.02620402 Ca 0.05720382 20.32014619 14.52098346 -0.14467899 0.21919950 -0.03307942 Ca 5.77710289 17.40657044 11.58502752 0.11922466 -0.19089691 0.11870039 Ca 8.70533253 20.36320549 11.66247235 -0.00212089 0.08987088 -0.04364390 Ca 8.74569951 17.40696198 14.53598879 -0.13457960 -0.18173308 -0.01590942 Ca 5.77571217 20.35072135 14.57408726 0.00480329 0.08641369 -0.07526357 Ca 11.62749171 17.43650382 11.68495040 -0.00620978 -0.29725600 -0.16565512 Ca 14.54460049 20.39622938 11.64626611 -0.02518477 0.10740058 -0.01425693 Ca 14.48394008 17.47346767 14.58414053 0.16064656 -0.34930602 -0.20423378 Ca 11.63500662 20.29224285 14.48510077 -0.05126404 0.22084714 0.08184353 Ca 17.39930401 17.40047499 11.59201812 -0.21073511 -0.07276579 0.11056502 Ca 20.40084143 20.31408867 11.55917378 0.09782510 0.09814298 0.03558005 Ca 20.29504006 17.42976200 14.51471800 0.16980288 -0.10145388 -0.03576445 Ca 17.44128098 20.39991127 14.52640812 -0.11745766 0.11232815 -0.07884192 Ca 0.01075587 0.02408240 17.39244085 -0.16116183 -0.18993302 -0.07180823 Ca 2.92390749 2.93291823 17.49370636 0.22007065 0.17738048 -0.32549222 Ca 2.87360514 0.04547898 20.38221341 0.16955375 -0.18919847 0.15973105 Ca 0.03651017 2.90510104 20.34260613 -0.23081126 0.13458353 0.18563676 Ca 5.78766034 0.05226318 17.43927087 0.08557205 -0.21289775 -0.16680461 Ca 8.76888492 2.93917527 17.47164403 -0.01598790 0.19158407 -0.28527414 Ca 8.72201078 0.01649806 20.35282691 -0.00571826 -0.18252118 0.12299553 Ca 5.88110902 2.91973398 20.29450080 -0.02072708 0.14585046 0.26566956 Ca 11.62241054 0.05421371 17.41359263 0.01992508 -0.26250968 -0.08299785 Ca 14.51522657 2.96220720 17.40043423 0.02924404 0.16011438 -0.17010743 Ca 14.53129224 0.05660923 20.37259585 0.00055183 -0.17034056 0.07142951 Ca 11.61159996 2.87108640 20.35282558 -0.02678647 0.24977546 0.19599714 Ca 17.44678193 0.05213790 17.34181370 -0.19434775 -0.19760032 0.00779129 Ca 20.32189059 2.92280543 17.43354014 0.21539783 0.11214120 -0.09849449 Ca 20.30819135 0.00391000 20.38856021 0.05686595 -0.06968744 0.04990436 Ca 17.38862026 2.90930150 20.40312076 -0.07763770 0.15642525 0.16284239 Ca 0.05608101 5.83334684 17.48026137 -0.21174214 0.05593309 -0.25869908 Ca 2.95952418 8.76370321 17.48495070 0.21782221 -0.02919836 -0.38292055 Ca 2.94589982 5.78562579 20.29869008 0.18377296 0.05584930 0.25203178 Ca 0.05355131 8.73206287 20.31669970 -0.16882093 0.00547993 0.17285976 Ca 5.88993482 5.77460624 17.43701554 -0.06952268 0.11150859 -0.28747968 Ca 8.74579702 8.73018334 17.45679603 -0.08876203 -0.01864428 -0.25377026 Ca 8.67125751 5.90222233 20.32085816 0.10713236 -0.05641994 0.20690661 Ca 5.78731642 8.71391628 20.33164862 0.06333044 0.05649918 0.15153856 Ca 11.63897589 5.83950535 17.46002811 -0.07318395 -0.03090584 -0.34476128 Ca 14.53751662 8.68234966 17.46168382 0.01713127 0.05407049 -0.27688467 Ca 14.48258670 5.75851995 20.31580834 0.03911407 0.04600663 0.20987256 Ca 11.68423998 8.67568996 20.31071869 -0.04187327 0.11153418 0.21661469 Ca 17.41651480 5.77322467 17.44932084 -0.25443559 0.04730991 -0.28916868 Ca 20.29147275 8.66233902 17.46645775 0.19928881 0.10873316 -0.27859303 Ca 20.33473518 5.85117119 20.31512362 0.17069273 -0.08450930 0.19376144 Ca 17.45685811 8.66374315 20.33067230 -0.26043620 0.08716077 0.22103606 Ca 0.04369136 11.63667064 17.38307641 -0.19664567 -0.00115227 -0.14418751 Ca 2.86286723 14.54752407 17.45832625 0.28140355 -0.09478268 -0.23184472 Ca 2.91122845 11.62109379 20.34266804 0.21657653 0.04629039 0.18920542 Ca 0.04253885 14.48778162 20.38599020 -0.20767070 0.00010270 0.11409673 Ca 5.86463134 11.66811814 17.44650542 -0.08504755 -0.07538746 -0.23169711 Ca 8.75988095 14.48889328 17.42274979 -0.04262415 0.08273365 -0.21760425 Ca 8.71842987 11.67925759 20.32916152 0.01765082 -0.12155161 0.19257920 Ca 5.84508100 14.54019441 20.32403653 -0.04279121 -0.00798906 0.14042755 Ca 11.62738065 11.59457488 17.47900284 0.09150372 0.04713413 -0.29716539 Ca 14.54852100 14.58896372 17.39314074 0.04297113 -0.19970627 -0.25435681 Ca 14.56708841 11.71329203 20.37071624 -0.02853153 -0.16384944 0.08715312 Ca 11.67810589 14.46747625 20.32151518 -0.06025070 0.08615739 0.15987715 Ca 17.43368750 11.59606415 17.42162937 -0.21211674 0.03590614 -0.18124061 Ca 20.31227038 14.56871869 17.39748632 0.17255068 -0.07402896 -0.10428767 Ca 20.38121895 11.64779921 20.37599031 0.12519533 -0.04067896 0.07245876 Ca 17.45733819 14.44476477 20.38399136 -0.16262274 0.09584673 0.13474558 Ca 0.04545757 17.46668306 17.38528341 -0.30216451 -0.18980680 -0.05131341 Ca 2.85428916 20.38029197 17.49371383 0.25029834 0.19860730 -0.19840239 Ca 2.86012026 17.38532922 20.31380307 0.23240394 -0.06076398 0.25706308 Ca 0.00732643 20.37306333 20.33677833 -0.11836847 0.07033035 0.11756256 Ca 5.76356137 17.41574087 17.38536891 0.07256248 -0.17699834 -0.13966571 Ca 8.69728422 20.33605602 17.43921965 0.06221487 0.13136527 -0.18085643 Ca 8.70271741 17.41928427 20.31788108 0.07604234 -0.14149746 0.13832518 Ca 5.82438407 20.37571014 20.36168269 -0.02636001 0.07133312 0.11010464 Ca 11.67494263 17.39123607 17.43228940 -0.15841636 -0.11744064 -0.14824713 Ca 14.55597694 20.31174338 17.38414732 -0.04077583 0.25472202 -0.13033811 Ca 14.52768949 17.42706355 20.29288016 -0.00430447 -0.19852427 0.25557904 Ca 11.70219096 20.38486555 20.29224622 -0.05810917 0.10307610 0.12175471 Ca 17.43395376 17.43392080 17.46764236 -0.19354910 -0.27325087 -0.31112003 Ca 20.29207902 20.34584070 17.46838109 0.20732095 0.16283318 -0.15465566 Ca 20.31974993 17.41075726 20.34636261 0.18129179 -0.13084785 0.18664560 Ca 17.42100975 20.29671299 20.31476002 -0.14499045 0.21444699 0.22680638