108 Lattice="19.21632854706154 0.0 0.0 0.0 19.21632854706154 0.0 0.0 0.0 19.21632854706154" Properties=species:S:1:pos:R:3:forces:R:3 energy=-106.30885509138429 stress="-0.00028643791522277095 -2.0456600241048724e-05 -2.282474959122855e-05 -2.0456600241048724e-05 -0.000303468549863485 6.638011978977033e-05 -2.282474959122855e-05 6.638011978977033e-05 -0.00029391436357166544" free_energy=-106.30885509138429 pbc="F F F" Sr 0.04678259 0.02488404 0.02324241 -0.09462695 -0.07799534 -0.09618594 Sr 3.14655815 3.25519085 0.06173676 0.21167951 0.09362768 -0.19233246 Sr 3.17107101 0.01981871 3.16400174 0.18096085 -0.19147073 0.19940486 Sr 0.03714916 3.17461851 3.22159705 -0.23414387 0.15917519 0.11775702 Sr 6.39100656 0.04731949 0.02548114 0.02023713 -0.08216422 -0.09473741 Sr 9.58003454 3.25919861 0.05777405 0.00365114 0.12320480 -0.12530208 Sr 9.66265043 0.03270325 3.20350846 -0.08533418 -0.12356920 0.10769678 Sr 6.36563378 3.17457547 3.25060182 0.09854716 0.20715067 0.13895881 Sr 12.80203521 0.02462142 0.01832305 -0.09419761 -0.12596017 -0.12116083 Sr 16.00729022 3.16131047 0.02143186 0.12620776 0.13671372 -0.13583810 Sr 16.07498774 0.05620670 3.24258498 0.10059081 -0.13468321 0.09456236 Sr 12.83633520 3.19347393 3.17214787 -0.17247767 0.21414246 0.22528182 Sr 0.05715628 6.38426750 0.04404932 -0.11567334 0.04014201 -0.11713846 Sr 3.22570247 9.67099641 0.05839191 0.13187943 -0.08631077 -0.15607746 Sr 3.21318553 6.37502360 3.25619906 0.18779102 0.10518761 0.11686101 Sr 0.01196490 9.56613852 3.15064051 -0.12221582 0.03963660 0.19930602 Sr 6.38119959 6.39221079 0.00740307 0.03679628 0.04823600 -0.05227842 Sr 9.65825977 9.64804365 0.01963232 -0.07419769 -0.05924557 -0.09519364 Sr 9.64652293 6.39967152 3.24390371 -0.10916017 0.05722813 0.19630564 Sr 6.36608249 9.61805052 3.15911546 0.13757047 -0.11467405 0.26324924 Sr 12.84284810 6.44555957 0.05734171 -0.21029020 -0.06493994 -0.19819324 Sr 15.96068455 9.58200082 0.05229205 0.15233536 0.05001938 -0.17555424 Sr 15.95597981 6.45895018 3.13895760 0.18471299 -0.05376629 0.25670995 Sr 12.81455252 9.60713219 3.14673790 -0.21889422 0.06991105 0.32760569 Sr 0.04588407 12.80034952 0.00421473 -0.10143165 -0.06032608 -0.10388763 Sr 3.26620837 16.06154522 0.01367434 0.06406319 0.08463564 -0.09174417 Sr 3.24660885 12.80677273 3.23506347 0.10540376 -0.12988694 0.11344146 Sr 0.03794642 15.95810838 3.25155601 -0.11157479 0.14446351 0.03342373 Sr 6.42691383 12.83226588 0.03491049 0.01111969 -0.13719106 -0.15624309 Sr 9.61431633 16.00507107 0.00786179 -0.03122881 0.08808351 -0.06918804 Sr 9.54718491 12.77741986 3.23555565 0.08417738 -0.14759673 0.18775041 Sr 6.37708858 15.96814028 3.25334004 0.07231417 0.16893472 0.12993864 Sr 12.84479335 12.85633903 0.00038434 -0.13863140 -0.12859123 -0.11217357 Sr 16.04265861 16.01544674 0.04258324 0.05496864 0.05549577 -0.03240643 Sr 16.07764120 12.75661891 3.22662321 0.10047035 -0.09631482 0.14024576 Sr 12.77348145 16.02872152 3.22124362 -0.11872137 0.09303789 0.12145539 Sr 0.02256482 0.04381840 6.42288373 -0.08373228 -0.11856202 0.03044351 Sr 3.14792959 3.25090849 6.34965433 0.25899794 0.08272849 0.15951544 Sr 3.24660536 0.03761129 9.65408283 0.08183921 -0.13593853 -0.12567463 Sr 0.03240526 3.16792844 9.66372741 -0.12118612 0.16779694 -0.05168773 Sr 6.46310439 0.03784861 6.38749433 -0.06986705 -0.08807014 0.02364749 Sr 9.67012798 3.15542146 6.45537987 -0.09020414 0.29372449 -0.03636271 Sr 9.55253269 0.03040866 9.62955593 0.11109437 -0.12352187 -0.03885803 Sr 6.41319486 3.17167598 9.65794930 -0.01257577 0.31609061 -0.17878035 Sr 12.78198205 0.02902910 6.34672452 -0.08071346 -0.14993310 0.08705603 Sr 16.02338249 3.21994483 6.42669607 0.10287616 0.17390367 -0.02826168 Sr 15.97197396 0.04050593 9.62627141 0.10412939 -0.09980004 -0.04546826 Sr 12.82826413 3.23395709 9.55772006 -0.19131511 0.12363116 0.03141889 Sr 0.00245904 6.41121396 6.36931012 -0.10121688 0.03257047 0.07014395 Sr 3.21609662 9.67135706 6.34466876 0.19501428 -0.13260956 0.09213061 Sr 3.16973397 6.38453051 9.61362944 0.23017042 0.04283293 -0.07354036 Sr 0.05984624 9.64531104 9.56610550 -0.10512528 -0.04163676 0.01825298 Sr 6.38827612 6.34431248 6.36366102 0.10109214 0.11875612 0.13383406 Sr 9.65625625 9.64093498 6.51559858 -0.15145013 -0.09410439 -0.12104875 Sr 9.65470857 6.35803639 9.63324978 -0.14387855 0.05470906 -0.06218367 Sr 6.37452979 9.60863637 9.65079797 0.04415246 -0.09287008 -0.08007233 Sr 12.80414107 6.44685947 6.36327561 -0.15643314 -0.02992779 0.03272363 Sr 16.03375734 9.57886385 6.49276256 0.05940288 -0.03174920 -0.04961813 Sr 16.00861701 6.35881966 9.64237081 0.08654390 0.07059701 -0.01914101 Sr 12.75177849 9.54915466 9.57285486 -0.07823871 0.03850269 0.09160937 Sr 0.06219954 12.87433878 6.39125193 -0.14779377 -0.19048524 0.06847582 Sr 3.19657398 16.03034591 6.43489251 0.16906159 0.11810018 0.05683214 Sr 3.24547286 12.77916999 9.62482838 0.15582980 -0.11256675 -0.03512749 Sr 0.04218230 16.07122658 9.72143164 -0.08736038 0.05828812 -0.07129386 Sr 6.40808929 12.78389313 6.35615657 0.05076777 -0.16592541 0.14517214 Sr 9.61665590 16.04113331 6.48392487 -0.05038716 0.02681312 -0.01791111 Sr 9.55654576 12.74766696 9.67069282 -0.00430288 -0.09009147 -0.05361284 Sr 6.39486731 15.99545851 9.64780506 0.04425330 0.06022238 -0.04847972 Sr 12.82608127 12.80789832 6.41092048 -0.17660848 -0.16179219 0.03725402 Sr 16.00485572 16.05552848 6.35134302 0.06958011 0.05077235 0.06148801 Sr 16.06121708 12.75606619 9.63293752 0.03091710 -0.05991234 -0.02662506 Sr 12.76839639 16.06778661 9.63140468 -0.03675709 0.04079416 -0.03853910 Sr 0.02014549 0.01305733 12.86648617 -0.11466481 -0.12248626 -0.10671160 Sr 3.25840957 3.15328931 12.83819310 0.11186363 0.26470096 -0.14537165 Sr 3.25505354 0.05692257 16.00140336 0.10800058 -0.17104349 0.12459889 Sr 0.03694588 3.19182097 16.07746256 -0.10320687 0.11197792 0.10585205 Sr 6.40880192 0.03532528 12.69123246 0.03619509 -0.18626942 0.03994152 Sr 9.57448548 3.19004995 12.80374092 0.03283453 0.22478214 -0.10361381 Sr 9.55860979 0.02590173 16.03225365 0.00797788 -0.11242370 0.04393365 Sr 6.40791292 3.17128517 16.07152973 0.06035532 0.21936764 0.07742400 Sr 12.86160098 0.03455282 12.80273374 -0.19359784 -0.11489413 -0.09423715 Sr 16.05271261 3.21895563 12.85156510 0.13052604 0.08637139 -0.14618299 Sr 16.04859768 0.02642432 16.05138612 0.04064789 -0.04607067 0.05032879 Sr 12.78060163 3.20337030 16.06685249 -0.14347684 0.12068380 0.11204288 Sr 0.04567621 6.34860590 12.85112597 -0.10983534 0.05475688 -0.14479791 Sr 3.17274634 9.62065109 12.81896026 0.21105074 -0.06323840 -0.17573404 Sr 3.22328261 6.42476469 16.07558562 0.15603704 0.02611042 0.08540685 Sr 0.02344847 9.66394654 15.98148984 -0.12929385 -0.06837084 0.10574313 Sr 6.34832845 6.37841388 12.78045959 0.08245224 0.05081436 -0.12357065 Sr 9.61841302 9.59297073 12.82539622 -0.02337788 -0.04008686 -0.23391922 Sr 9.62480926 6.52335404 16.03804372 -0.03781682 -0.09493104 0.04397203 Sr 6.46344371 9.66447150 15.95461990 -0.04784204 -0.05863170 0.10277704 Sr 12.81567759 6.33146828 12.78762625 -0.20687292 0.07315910 -0.12889970 Sr 15.96142596 9.62826745 12.85124767 0.10253142 -0.05943600 -0.21645472 Sr 15.98592511 6.37104848 15.97317224 0.09256324 0.04312120 0.12262338 Sr 12.84430747 9.65763080 15.97625875 -0.16330852 -0.03701943 0.13525172 Sr 0.04752411 12.86695290 12.85769787 -0.15878253 -0.16962449 -0.21383910 Sr 3.23597668 16.06486413 12.81066051 0.15060658 0.12671953 -0.06870673 Sr 3.17526554 12.77976773 16.03642963 0.20650158 -0.06998320 0.16150915 Sr 0.02426072 15.96473985 16.00300639 -0.06510726 0.09943297 0.08552164 Sr 6.36788473 12.83355840 12.87174208 0.05668529 -0.15739318 -0.22022829 Sr 9.66994179 16.05489392 12.80948279 -0.12147308 0.12138533 -0.14921682 Sr 9.61563987 12.86610808 15.97783776 -0.02625125 -0.18899621 0.13869486 Sr 6.45538990 16.03754850 16.05901186 -0.02439325 0.07698864 0.06616600 Sr 12.75618998 12.85486629 12.81767332 -0.08938614 -0.21228129 -0.24501609 Sr 16.07086898 15.98921850 12.83564406 0.06203263 0.11275815 -0.12862380 Sr 16.04596797 12.81839884 15.96355169 0.09975808 -0.07959663 0.13965683 Sr 12.76162305 16.00395475 16.02876192 -0.02918634 0.12396948 0.12164920