500 Lattice="31.51811214249909 0.0 0.0 0.0 31.51811214249909 0.0 0.0 0.0 31.51811214249909" Properties=species:S:1:pos:R:3:forces:R:3 energy=-585.893333018845 stress="-0.0002814889638707679 -1.0904120883014721e-05 -1.7379760725783265e-06 -1.0904120883014721e-05 -0.00028779476453299124 1.3157059619001355e-05 -1.7379760725783265e-06 1.3157059619001355e-05 -0.0002772543486612971" free_energy=-585.893333018845 pbc="F F F" Sr 0.04689926 0.04315375 0.05387354 -0.15919848 -0.12817388 -0.15687450 Sr 3.15939449 3.15033707 0.01071843 0.12242045 0.18533840 -0.25009546 Sr 3.12682533 0.01001327 3.09599881 0.23087130 -0.24901163 0.24877047 Sr 0.04586178 3.11275976 3.20329524 -0.26364175 0.25371026 0.08493267 Sr 6.27689381 0.03231171 0.05978520 0.04383910 -0.18215074 -0.20913448 Sr 9.53309846 3.09213561 0.03649379 -0.11839037 0.20683581 -0.26025392 Sr 9.43571756 0.04193019 3.15253515 0.06435319 -0.26402400 0.19670044 Sr 6.35272499 3.13590590 3.12455503 -0.07412214 0.21045839 0.27269421 Sr 12.55698475 0.03686086 0.00289217 0.07308053 -0.19194585 -0.13398641 Sr 15.81234865 3.09883224 0.02642578 -0.09826150 0.22198818 -0.22548382 Sr 15.79450556 0.03100785 3.11560870 -0.11233756 -0.22291420 0.22173110 Sr 12.58778677 3.21258782 3.13443887 0.09031804 0.04945643 0.30342780 Sr 18.91555933 0.06195854 0.03181057 0.02964236 -0.23453391 -0.19379959 Sr 22.04687018 3.09734648 0.02189150 0.01586691 0.25083091 -0.18571485 Sr 22.11103117 0.00554643 3.12385813 -0.10242411 -0.20965940 0.21418643 Sr 18.87505580 3.09170528 3.19504305 0.09653254 0.33774290 0.23237219 Sr 25.25248635 0.02616945 0.04996507 -0.11830245 -0.23930090 -0.20508471 Sr 28.31421079 3.08941401 0.04004250 0.20461471 0.20259970 -0.18048624 Sr 28.41596398 0.02208890 3.20182654 0.16653578 -0.20651312 0.11442604 Sr 25.21702762 3.12014045 3.16510691 -0.21652090 0.30226333 0.21081314 Sr 0.01942035 6.34544639 0.01170964 -0.13366056 -0.01132124 -0.10271607 Sr 3.19379757 9.46883825 0.04228311 0.15464330 -0.03893391 -0.17633461 Sr 3.19933088 6.25482048 3.15820129 0.15766699 0.06466679 0.19329015 Sr 0.03274825 9.51638045 3.16883244 -0.15600613 -0.04845499 0.10548766 Sr 6.34063558 6.25679960 0.01328049 0.05431342 0.05367577 -0.16390483 Sr 9.48245292 9.50267437 0.00074166 -0.03831155 -0.06912455 -0.16292487 Sr 9.47940432 6.25170946 3.18641550 -0.06166265 0.11428750 0.14756836 Sr 6.36156379 9.44968101 3.13336796 -0.03521154 0.01375503 0.25487658 Sr 12.55181801 6.25224141 0.06010380 0.08013108 0.12066291 -0.21887559 Sr 15.79727947 9.49978790 0.04797825 -0.07222673 -0.07347849 -0.18125975 Sr 15.71449027 6.31748539 3.12957457 0.06062485 0.03818232 0.28735227 Sr 12.55614040 9.51186560 3.14386471 0.04959815 -0.08029412 0.20783064 Sr 18.87819256 6.26826970 0.04443050 0.02526086 0.02650792 -0.15060836 Sr 22.06246632 9.41850363 0.03061025 -0.07178368 0.08603367 -0.18490483 Sr 22.06894649 6.36285532 3.11939257 -0.09412177 -0.11369768 0.30635222 Sr 18.89836464 9.45662192 3.17765220 0.06902588 -0.02982897 0.29508996 Sr 25.20298558 6.36086175 0.00028234 -0.09023472 -0.07195047 -0.19348572 Sr 28.41916706 9.50320505 0.04213407 0.14252017 -0.03270576 -0.16030463 Sr 28.36282372 6.35471787 3.17007903 0.18066396 -0.04337890 0.10510434 Sr 25.19696178 9.45617560 3.12334725 -0.13302526 0.09128691 0.25140796 Sr 0.05610786 12.58897391 0.06038757 -0.16080536 0.00558339 -0.20397455 Sr 3.15444533 15.78475489 0.03020595 0.16519102 0.01042861 -0.26229686 Sr 3.21471410 12.66622365 3.14977743 0.16433979 -0.16177109 0.23627118 Sr 0.03048576 15.71387876 3.13107873 -0.24127480 0.06075577 0.16602309 Sr 6.29288494 12.62684616 0.04195735 0.04090290 0.00776042 -0.18920763 Sr 9.48216539 15.70843395 0.03540686 -0.03399888 0.01551070 -0.12120227 Sr 9.46168487 12.60246943 3.14907866 -0.00612144 0.09151971 0.28302088 Sr 6.25251594 15.73982666 3.20424024 0.19134080 0.07377811 0.10222337 Sr 12.61746267 12.60050726 0.03971296 0.04774702 0.05595082 -0.15501047 Sr 15.79312725 15.76910359 0.01855625 -0.03685297 -0.00422380 -0.14235647 Sr 15.79411789 12.57885854 3.17120181 -0.06750855 0.07166170 0.20845446 Sr 12.68792768 15.80025291 3.19508157 -0.08948994 -0.13206585 0.12964256 Sr 18.91705152 12.59044861 0.05503529 0.06083841 0.01438981 -0.18253277 Sr 22.10423719 15.77002678 0.04295443 -0.09021528 -0.02699292 -0.22557097 Sr 22.11883998 12.65326836 3.17501842 -0.05627781 -0.07599387 0.21592099 Sr 18.91225157 15.72511825 3.11508078 0.01008099 0.06190668 0.27615883 Sr 25.24212951 12.59246888 0.00279895 -0.17199092 0.00579194 -0.19598541 Sr 28.34380158 15.80319300 0.03296464 0.18999884 -0.04606084 -0.25352820 Sr 28.42525867 12.66693018 3.09658569 0.12658495 -0.05038822 0.26290751 Sr 25.24680398 15.81978872 3.09542555 -0.19506185 -0.12972936 0.39223600 Sr 0.02490058 18.99028250 0.02927267 -0.21069366 -0.06895699 -0.16839823 Sr 3.10959769 22.04274239 0.02018243 0.24277836 -0.01016640 -0.21781199 Sr 3.12660047 18.86363699 3.09855432 0.23151627 0.08261535 0.30726544 Sr 0.05943116 22.07810812 3.17744735 -0.22819126 -0.06005881 0.19141720 Sr 6.37479717 18.94154438 0.00723384 -0.02364579 -0.04173968 -0.13187618 Sr 9.45999774 22.09485282 0.05132287 0.02492199 -0.07270075 -0.15657648 Sr 9.48645868 18.88680914 3.13740274 -0.06290816 0.04727211 0.24215237 Sr 6.27498812 22.06418952 3.17819284 0.04740251 -0.08136257 0.22425544 Sr 12.56721572 18.87529943 0.00250530 0.07020358 0.06233962 -0.13725472 Sr 15.77556855 22.12283316 0.03561302 -0.06266085 -0.05378180 -0.21495194 Sr 15.73696017 18.93666523 3.21340905 0.04485684 -0.04672396 0.07465199 Sr 12.70615258 22.09136610 3.17497747 -0.11762331 -0.08718820 0.17409728 Sr 18.86032918 18.96509930 0.03517124 0.02300009 -0.06725231 -0.15297426 Sr 22.03821203 22.03802000 0.02695928 0.04277302 -0.00413426 -0.16217780 Sr 22.09311433 18.87277680 3.09737696 -0.10174713 0.05826791 0.33122332 Sr 18.85628447 22.08698829 3.10474349 0.08145091 -0.09800601 0.28697834 Sr 25.21850250 18.89705072 0.05623777 -0.16132644 0.08158443 -0.30487792 Sr 28.31141736 22.10205930 0.03547735 0.21110854 -0.05882662 -0.16338247 Sr 28.34402462 18.85103399 3.09182286 0.24940552 0.07423055 0.30114993 Sr 25.27414142 22.01373033 3.19840062 -0.27121072 0.04492089 0.17711626 Sr 0.02720076 25.18291865 0.02371944 -0.20976943 -0.10492989 -0.21833873 Sr 3.12051255 28.37481313 0.01632374 0.15219522 0.17478974 -0.18900612 Sr 3.13682968 25.22768927 3.12065956 0.21941183 -0.19231994 0.22127873 Sr 0.00950868 28.30557162 3.12646038 -0.20043644 0.20388775 0.15058871 Sr 6.28053080 25.17244991 0.03101823 0.03415589 -0.07255562 -0.18659862 Sr 9.44831074 28.42779921 0.00199729 -0.05205528 0.11414231 -0.13428842 Sr 9.50728514 25.18967227 3.10723838 -0.12736052 -0.15979685 0.30050062 Sr 6.28735868 28.39403106 3.19492469 0.05903547 0.14692809 0.08202435 Sr 12.54774813 25.22026414 0.06132536 0.08855986 -0.12494415 -0.25960014 Sr 15.81355128 28.33320722 0.02509402 -0.03018479 0.15099936 -0.14092290 Sr 15.79416552 25.22676103 3.14070462 -0.03685720 -0.12519619 0.21947826 Sr 12.57937745 28.36104289 3.12106437 0.04628160 0.21925941 0.12147818 Sr 18.96503468 25.25778930 0.04618104 -0.04336802 -0.18073974 -0.25803777 Sr 22.07023901 28.34330146 0.00038681 0.05692259 0.15777947 -0.13499700 Sr 22.00853151 25.17615135 3.12763014 0.10402669 -0.15165025 0.26168225 Sr 18.98247033 28.36744178 3.19266205 -0.07890266 0.20647509 0.15808301 Sr 25.27387413 25.17125067 0.02249596 -0.23084966 -0.08161076 -0.19547217 Sr 28.35307153 28.40617935 0.05957022 0.09705396 0.10055822 -0.10838087 Sr 28.37569139 25.25269288 3.18876880 0.24897908 -0.18628163 0.13370799 Sr 25.25176120 28.32356125 3.21180414 -0.25459442 0.23797972 0.09020802 Sr 0.03469885 0.04092339 6.27226998 -0.18558482 -0.25233290 0.03644872 Sr 3.11819030 3.10007472 6.34295076 0.32948284 0.30997026 -0.06978541 Sr 3.11828933 0.02849389 9.50402333 0.22516685 -0.25053614 -0.05372373 Sr 0.05872327 3.15346936 9.36026473 -0.26583441 0.23283672 0.07786568 Sr 6.33000402 0.00965227 6.34877502 -0.06388866 -0.19760939 -0.03423636 Sr 9.41167037 3.09580689 6.28548912 0.06634734 0.32383310 0.11587229 Sr 9.47295505 0.05500125 9.48394091 -0.02903262 -0.18332087 0.05378717 Sr 6.24143552 3.13553148 9.42562843 0.11069499 0.31800117 0.09128965 Sr 12.65599346 0.04706125 6.36031618 -0.06274437 -0.15045944 -0.11787971 Sr 15.75865074 3.19358280 6.33003385 -0.06584512 0.23889914 -0.01628391 Sr 15.71767737 0.01761038 9.38622501 0.04183154 -0.18037737 0.10028244 Sr 12.57618012 3.12485623 9.49735405 0.01290458 0.28795232 -0.09818026 Sr 18.87830861 0.00344607 6.33594966 0.03823882 -0.20621876 -0.04152665 Sr 22.02248369 3.14172582 6.36657607 0.06244017 0.25087204 -0.12256657 Sr 22.11915352 0.03387092 9.39645380 -0.05107613 -0.18902012 0.12846331 Sr 18.91106317 3.09103583 9.41120999 -0.05027534 0.25985136 0.11098082 Sr 25.16403773 0.01244745 6.28964984 -0.05395298 -0.18008376 0.03902649 Sr 28.36950992 3.15131187 6.28960722 0.14997945 0.20961738 0.06406461 Sr 28.35715744 0.06288732 9.48385140 0.14568166 -0.16651160 -0.03915353 Sr 25.24646882 3.19081127 9.49822122 -0.20534850 0.19527938 -0.07801419 Sr 0.00994507 6.39706149 6.25019132 -0.17500688 -0.07851318 0.03790172 Sr 3.11839068 9.39703071 6.34415976 0.32139545 0.14409444 -0.04072360 Sr 3.11274685 6.33445617 9.49610778 0.26339186 -0.06465263 -0.04133898 Sr 0.02992017 9.40435497 9.51841893 -0.17805135 0.06149159 -0.05630287 Sr 6.32585557 6.34463175 6.25664481 0.00693614 -0.06624119 0.13341054 Sr 9.45585718 9.43986422 6.30409532 -0.01462467 0.03193504 0.05905797 Sr 9.52251958 6.36072606 9.51834648 -0.10803717 -0.08331678 -0.14808391 Sr 6.25766952 9.42228410 9.45339376 0.06130375 0.04692200 -0.04852939 Sr 12.54847589 6.33501432 6.27085448 0.07432153 -0.00070775 0.13667251 Sr 15.71245651 9.51209198 6.28168878 0.09131800 -0.17460159 0.04739766 Sr 15.71772934 6.32513500 9.48587543 0.00266941 0.01657300 -0.09220743 Sr 12.66205507 9.55882361 9.48261169 -0.03836268 -0.12077060 -0.08468853 Sr 18.93401157 6.25642122 6.40891917 -0.05403020 0.16429469 -0.09960448 Sr 22.09443610 9.48465543 6.36793493 -0.11529089 0.02476505 -0.04990180 Sr 22.12165307 6.28069354 9.43496242 -0.08135326 0.07445637 0.07793588 Sr 18.99486560 9.49695844 9.49709362 -0.06690365 -0.05124401 -0.05242960 Sr 25.18299482 6.35904611 6.25352659 -0.16772989 -0.09952098 0.06910768 Sr 28.33923417 9.41720121 6.34766397 0.18735356 0.06145610 -0.03643471 Sr 28.36876149 6.33647451 9.52669711 0.16243860 -0.06541727 -0.07963336 Sr 25.23213417 9.41004989 9.45957550 -0.27357801 0.07718314 0.04940289 Sr 0.03142652 12.58846357 6.26776151 -0.14476837 -0.00104193 0.11199900 Sr 3.17968378 15.70803592 6.24873751 0.15377282 0.08416251 0.15973788 Sr 3.15793588 12.66316322 9.48877945 0.21179164 -0.06370990 -0.09708414 Sr 0.05176742 15.80414295 9.41235596 -0.15617813 -0.08273031 0.03738206 Sr 6.32600822 12.66632379 6.30537766 0.00142897 -0.15711840 0.02852473 Sr 9.46916435 15.80845580 6.34320638 -0.00692163 -0.08974819 -0.08227149 Sr 9.39834489 12.56140281 9.41716098 0.07699993 0.05018476 0.06654559 Sr 6.38876639 15.73258231 9.44171436 -0.12598286 0.02580049 0.08597169 Sr 12.59876887 12.58459432 6.30275568 -0.05223270 0.09303523 0.01162631 Sr 15.72650233 15.79292049 6.27906073 0.05129048 -0.01779750 0.09052040 Sr 15.80413639 12.58322875 9.33277588 -0.04780148 0.07896423 0.13864097 Sr 12.57811287 15.80709447 9.41623210 0.05989035 -0.09082194 0.06983554 Sr 18.87965230 12.65822238 6.31132829 0.10922897 -0.05792306 -0.02613705 Sr 22.14460154 15.71277394 6.31147938 -0.07798257 0.05632819 -0.01227975 Sr 22.04673212 12.65451629 9.50796121 0.04852626 -0.03719785 -0.00997458 Sr 18.93499923 15.74898341 9.40344163 -0.03850777 0.07786158 0.05232025 Sr 25.24943522 12.55652393 6.36662104 -0.22585746 0.04345262 -0.11677318 Sr 28.40090658 15.72347472 6.35189903 0.12408960 0.06888952 -0.10044346 Sr 28.30567961 12.66075787 9.41946768 0.20191587 -0.08603153 0.08558759 Sr 25.27206972 15.76758154 9.41112827 -0.32629817 0.02028336 0.13386490 Sr 0.00928421 18.85717780 6.34898576 -0.10457684 0.07218909 -0.04921965 Sr 3.11941015 22.10362682 6.34898932 0.20904262 -0.14056396 -0.02452775 Sr 3.18732015 18.91297019 9.49810683 0.21813167 -0.07521752 -0.07682576 Sr 0.02255665 22.05248233 9.52775194 -0.20888094 -0.05073672 -0.09493308 Sr 6.25591931 18.86931368 6.27304559 0.06209411 0.09537968 0.04659576 Sr 9.51458846 22.08580416 6.32942255 -0.07068759 -0.08326189 -0.02009582 Sr 9.36959990 18.87263293 9.49403344 0.06576991 0.10428809 -0.07650886 Sr 6.27337976 22.07295567 9.42271981 0.08896356 -0.03505469 -0.00730990 Sr 12.54874633 18.86017816 6.24246804 0.03139101 0.13664862 0.17525463 Sr 15.77061937 21.99253361 6.26031215 -0.04795535 0.04582008 0.14411169 Sr 15.77791451 18.97933488 9.43884174 -0.02089135 -0.11029667 0.00776196 Sr 12.57917398 22.04526506 9.49022288 0.04053933 -0.02899316 -0.12925059 Sr 18.93169162 18.87675801 6.24638495 0.06728835 0.02110881 0.05304934 Sr 22.06484941 22.08870097 6.24576366 -0.07797879 -0.08066454 0.11713721 Sr 22.01663741 18.86836644 9.50123488 0.02001939 0.05966914 -0.02172204 Sr 18.87208953 22.02954291 9.50309574 0.09129908 -0.01808288 -0.09033693 Sr 25.18514257 18.94793991 6.37505867 -0.18908845 -0.04714667 -0.06184689 Sr 28.36626413 22.07318842 6.31730018 0.15355276 -0.02050035 0.00625880 Sr 28.34766101 18.91716233 9.42504342 0.17884402 0.02215253 0.02656271 Sr 25.23770466 22.04586486 9.51792949 -0.29892711 0.03924739 -0.03087317 Sr 0.00821178 25.18894390 6.30109861 -0.18892484 -0.10206118 0.06974349 Sr 3.17518565 28.35643253 6.30036453 0.06449861 0.16206140 0.04197607 Sr 3.13738665 25.17347225 9.52753257 0.27138501 -0.08008338 -0.11215884 Sr 0.03663994 28.33934816 9.49693919 -0.16243915 0.17122736 -0.07900730 Sr 6.24175187 25.17695339 6.25859822 0.14100077 -0.14780571 0.08302012 Sr 9.49939094 28.36095097 6.25826520 -0.02822252 0.10093674 0.07867082 Sr 9.47174991 25.19300602 9.46997534 -0.06913144 -0.12920542 -0.03393882 Sr 6.30505111 28.41835594 9.38621605 0.03392871 0.05496805 0.06456791 Sr 12.63935971 25.24259814 6.25644060 0.01809530 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