256 Lattice="24.693599700927734 0.0 0.0 0.0 24.693599700927734 0.0 0.0 0.0 24.693599700927734" Properties=species:S:1:pos:R:3:forces:R:3 energy=-156.0872699867606 stress="-0.00014614495746278534 7.870570614872482e-07 9.016036174040524e-09 7.870570614872482e-07 -0.0001407029191781306 7.649304754306683e-06 9.016036174040524e-09 7.649304754306683e-06 -0.00015254934722203878" free_energy=-156.0872699867606 pbc="F F F" Na 0.04048411 0.03533530 0.03253192 -0.08075410 -0.08575335 -0.08061381 Na 3.04904825 3.07349944 0.00581651 0.13417729 0.08890125 -0.14294906 Na 3.03137965 0.01399151 3.14134416 0.14094906 -0.14295986 0.06505260 Na 0.03210091 3.07074148 3.07392719 -0.16278058 0.10357256 0.10209417 Na 6.14209069 0.00561464 0.05330260 -0.00646213 -0.09980552 -0.09547389 Na 9.21898899 3.02688993 0.00297751 0.02941074 0.14118944 -0.12570751 Na 9.21668418 0.01572826 3.04478742 0.02163685 -0.13152530 0.13840439 Na 6.27342873 3.10821594 3.11149567 -0.02333909 0.11992716 0.13529743 Na 12.35388681 0.00325147 0.00397646 -0.00273756 -0.08872361 -0.07625779 Na 15.40587427 3.05291471 0.06076967 -0.02811233 0.09808417 -0.14624471 Na 15.48955240 0.05585796 3.07126445 -0.06901500 -0.14301083 0.11331481 Na 12.28360201 3.12818400 3.12385549 -0.00602393 0.10920458 0.10554159 Na 18.50898681 0.00965593 0.05655246 -0.04671228 -0.12862398 -0.13984342 Na 21.60235144 3.11957543 0.02643447 0.11387797 0.07035387 -0.12136180 Na 21.64781684 0.05009301 3.08446937 0.12696948 -0.12514537 0.05162560 Na 18.52029714 3.04043362 3.02564594 -0.10063761 0.18552825 0.16302090 Na 0.04983469 6.15269196 0.02774055 -0.11298180 0.02692135 -0.09360079 Na 3.03180621 9.24315584 0.05076082 0.12745958 0.00714209 -0.12163771 Na 3.11031988 6.11500164 3.09060582 0.13435174 0.05735941 0.14902257 Na 0.03418706 9.34338340 3.06177869 -0.12284880 -0.04336286 0.13056073 Na 6.18814596 6.19196251 0.02864154 0.02334735 0.01711265 -0.10248372 Na 9.25120537 9.30378128 0.00049370 0.03233253 -0.00734991 -0.06526690 Na 9.22242291 6.22180005 3.13695548 0.04274998 0.02801791 0.10330260 Na 6.19228419 9.23723842 3.08973958 0.02371487 0.03631528 0.14259453 Na 12.40761493 6.14073297 0.00123768 -0.07375412 0.02462706 -0.09958730 Na 15.37472917 9.23031817 0.02628039 0.00365741 0.01119232 -0.11177130 Na 15.37069383 6.13369521 3.03786721 0.01494700 0.04580080 0.20276608 Na 12.37977934 9.17531482 3.11575723 -0.05084075 0.02622420 0.15694222 Na 18.46168194 6.16870217 0.00963824 -0.07345265 0.03253643 -0.13079559 Na 21.61567270 9.35545873 0.00163652 0.07508462 -0.02103531 -0.09325330 Na 21.55348726 6.21501403 3.09006604 0.12464955 0.00504022 0.08660479 Na 18.49309592 9.23089208 3.04034845 -0.13919632 0.01923158 0.13892095 Na 0.00987194 12.36231034 0.05329804 -0.09046368 0.02018726 -0.10095757 Na 3.06202384 15.48635502 0.02630885 0.10742013 -0.06139348 -0.12732498 Na 3.07306139 12.34362601 3.13540123 0.16365711 0.02338089 0.12297076 Na 0.00399811 15.49403429 3.12869578 -0.13235420 -0.06931231 0.08503407 Na 6.14604251 12.30557091 0.00759613 0.01914469 0.00887288 -0.07515050 Na 9.19975928 15.44942013 0.04645962 0.02963634 -0.05919448 -0.09538162 Na 9.26138644 12.40461905 3.14298925 0.00481889 -0.03682708 0.13351396 Na 6.12391345 15.44929547 3.06365964 0.04277166 -0.05796495 0.18182673 Na 12.40750060 12.30482031 0.05992161 -0.05646927 0.02314550 -0.08406825 Na 15.39376622 15.46681351 0.00163763 -0.02908041 -0.03924830 -0.10026756 Na 15.38551212 12.29344559 3.03136328 -0.01836131 0.02381431 0.19005725 Na 12.37252614 15.46790159 3.11755834 0.00466202 -0.06093846 0.14313199 Na 18.46976666 12.40227090 0.03778294 -0.09739807 -0.01195223 -0.12582306 Na 21.63348474 15.46419223 0.03002918 0.08464371 -0.02513477 -0.10321186 Na 21.57131350 12.38869663 3.03539600 0.10870852 -0.00862826 0.12175115 Na 18.46427311 15.44243639 3.11788393 -0.11494478 -0.05117061 0.13968885 Na 0.06134512 18.53557821 0.01219497 -0.13709810 -0.06529969 -0.13008664 Na 3.03063406 21.65570158 0.00556431 0.08621213 0.11277843 -0.11079399 Na 3.04185904 18.51743558 3.08400209 0.16985512 -0.09569214 0.14157436 Na 0.04212328 21.56058643 3.11293665 -0.12555550 0.13575927 0.06546004 Na 6.16638188 18.54444334 0.03325994 0.02005726 -0.07956255 -0.12443405 Na 9.33486997 21.57835787 0.05189652 -0.01852344 0.10890078 -0.10029808 Na 9.34180100 18.53650777 3.04228603 -0.03133048 -0.13278263 0.15325317 Na 6.15809820 21.59808077 3.07883427 0.00954811 0.11887013 0.09128520 Na 12.32302137 18.49901945 0.05640444 0.01298273 -0.11039607 -0.14682117 Na 15.43198642 21.56037549 0.05553609 0.00231007 0.10410840 -0.12247341 Na 15.47050071 18.50761914 3.07358474 -0.06600718 -0.13130395 0.17401289 Na 12.45565148 21.59457743 3.03489107 -0.03587527 0.12704103 0.14689595 Na 18.48838861 18.47926765 0.05639508 -0.07011027 -0.07805975 -0.16977585 Na 21.63790034 21.55124302 0.04350898 0.06005271 0.07284702 -0.07897144 Na 21.60843090 18.51431532 3.04261507 0.15158906 -0.11573418 0.13799185 Na 18.55467698 21.55052352 3.11419831 -0.10067692 0.16786583 0.07203522 Na 0.05829205 0.03392877 6.13520872 -0.12608101 -0.09949838 0.03805838 Na 3.13710224 3.07438774 6.18770497 0.11718584 0.16734319 0.01810035 Na 3.07926794 0.03136862 9.20255429 0.10589390 -0.12917172 0.03874144 Na 0.02003896 3.04858508 9.30690957 -0.13125494 0.13466131 -0.02869732 Na 6.13692967 0.00304935 6.23444989 0.06120028 -0.09840070 -0.01095178 Na 9.28819262 3.13805673 6.17396001 -0.00964193 0.12098761 0.04710638 Na 9.30523076 0.01590528 9.18157929 -0.02544175 -0.08446945 0.02804786 Na 6.17768408 3.11009478 9.20000992 0.04804215 0.15643045 0.05311862 Na 12.37722210 0.02760167 6.11504578 -0.01623552 -0.08810349 0.01620692 Na 15.45841789 3.09412418 6.13679482 -0.01686041 0.16732295 0.06333409 Na 15.37897302 0.03725042 9.20991927 0.01640106 -0.09241418 0.00706695 Na 12.30396081 3.04412824 9.31411531 -0.00333894 0.18582363 -0.00070948 Na 18.57860047 0.06091229 6.11190663 -0.13022237 -0.13503259 0.04817726 Na 21.63371153 3.03335036 6.18265407 0.11202010 0.15278876 0.02040878 Na 21.55314058 0.01174911 9.21710310 0.09983245 -0.12347400 0.01533399 Na 18.54455108 3.04867290 9.31130632 -0.16328190 0.17644073 -0.04231512 Na 0.02864723 6.15880983 6.13702459 -0.08197373 0.04934805 0.04601741 Na 3.14831439 9.30753474 6.18752223 0.10299260 -0.04221628 0.02714841 Na 3.06551683 6.16699498 9.27490234 0.15504705 0.05402703 0.01174830 Na 0.03300564 9.33640919 9.30369019 -0.07122980 -0.02201762 0.00834628 Na 6.18320685 6.22745272 6.19837530 0.01869857 0.01375558 0.03782598 Na 9.25363539 9.22863936 6.17387489 0.03990733 0.03525123 0.04846576 Na 9.28519648 6.21196295 9.23075343 0.00539812 0.01192122 0.01194206 Na 6.16274246 9.24386859 9.23376270 0.04634615 -0.00283281 0.04960033 Na 12.38747603 6.11246819 6.20602605 -0.00484640 0.07391421 0.04950166 Na 15.42824462 9.28640738 6.20025122 -0.04743037 -0.03863227 0.02626325 Na 15.36850616 6.11417854 9.32466432 -0.00176590 0.04781427 -0.01803731 Na 12.38810876 9.26878140 9.25840784 -0.01272755 0.02052247 -0.00664829 Na 18.57099494 6.25998082 6.17255634 -0.20064908 -0.03919428 0.02459181 Na 21.62692279 9.28582283 6.12744037 0.09788855 0.03435759 0.01818783 Na 21.58592353 6.26738913 9.20058505 0.08934612 -0.00699171 0.03409358 Na 18.50782047 9.21075815 9.20275405 -0.16683541 0.02054132 0.05041853 Na 0.04264984 12.30737981 6.21978831 -0.09859894 0.00870868 0.01422563 Na 3.03544897 15.46621673 6.21525949 0.19778246 -0.03886070 0.01517194 Na 3.14744205 12.36970293 9.25836898 0.10374818 -0.02987823 0.02914946 Na 0.00884485 15.44279945 9.19845300 -0.11001947 -0.03936149 0.03275195 Na 6.17482834 12.28729624 6.24941594 0.06869955 0.04737752 -0.01776734 Na 9.30861927 15.49064274 6.12147629 -0.03570653 -0.07794375 0.07299908 Na 9.26074220 12.35075174 9.26902186 0.01633030 -0.01220958 -0.01394882 Na 6.12181964 15.34396839 9.26498102 0.09907374 0.04074677 -0.01513508 Na 12.35888909 12.30414076 6.15959011 -0.02265171 0.00884135 0.04919280 Na 15.40785347 15.43299879 6.20357938 -0.05469654 -0.04791829 0.01693495 Na 15.45430067 12.38579735 9.21680588 -0.05358956 -0.01872496 0.02996582 Na 12.25714021 15.43797493 9.26924114 0.02374542 -0.04462572 -0.01368467 Na 18.46806147 12.28543690 6.13604264 -0.13313306 0.00938356 0.03460009 Na 21.54615898 15.32188988 6.23104124 0.09486226 0.00400809 -0.01834209 Na 21.60361638 12.31683158 9.25714905 0.06653093 -0.03127855 0.00487031 Na 18.53280455 15.45691190 9.22376495 -0.15500493 -0.06529068 0.02743319 Na 0.01838705 18.52354016 6.11636183 -0.13065581 -0.08305218 0.06346733 Na 3.06099930 21.64192417 6.25829779 0.12641492 0.09568892 -0.00942563 Na 3.02507515 18.51071496 9.33906138 0.19434164 -0.12567341 -0.04426984 Na 0.04841935 21.59252715 9.22248808 -0.11560176 0.09282984 0.02195082 Na 6.24123165 18.51773043 6.11450462 -0.02406135 -0.17254522 0.07009834 Na 9.19625250 21.56601789 6.14207942 0.04930863 0.11517281 0.00741103 Na 9.27859751 18.55644322 9.25754451 -0.03315299 -0.17840300 0.03163367 Na 6.20657927 21.60928018 9.18610060 -0.00324969 0.06608754 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0.17192767 -0.02286318 Na 9.30741928 0.03035248 15.41956437 -0.03576606 -0.11009270 -0.03939856 Na 6.13107665 3.10570576 15.48964443 0.04043910 0.15963598 -0.04601456 Na 12.34901839 0.01626242 12.29025435 -0.00418348 -0.09473370 0.02189075 Na 15.44669078 3.05043953 12.36768454 -0.07665193 0.15926690 -0.00686470 Na 15.46395701 0.02132885 15.47876648 -0.03303445 -0.09658538 -0.03227453 Na 12.28198572 3.03388478 15.40515396 0.01027180 0.21603826 -0.05144227 Na 18.54434126 0.04020017 12.40077544 -0.11273509 -0.14947612 -0.02127452 Na 21.60663048 3.05890336 12.24862095 0.14528427 0.12310763 0.01430876 Na 21.62935469 0.02749588 15.47898913 0.09814221 -0.09309767 -0.03603841 Na 18.55361298 3.12650896 15.33816513 -0.12796742 0.09409112 0.01914160 Na 0.05395380 6.20537882 12.40445645 -0.09411353 0.02592593 -0.02064360 Na 3.11817206 9.29002169 12.39580929 0.15953359 0.00768734 -0.03030257 Na 3.13704706 6.23855788 15.46828379 0.14681501 -0.02504225 -0.05311565 Na 0.05939858 9.21050171 15.48878340 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15.41156027 12.30777187 0.16125761 -0.04354093 0.02055650 Na 3.02902340 12.36413944 15.47342807 0.21184783 -0.02058235 -0.05031658 Na 0.03930400 15.42538548 15.47323382 -0.11757931 -0.00272373 -0.02902179 Na 6.21427792 12.33870565 12.31252475 0.04347231 -0.02793040 0.04561720 Na 9.27058266 15.44186277 12.39481088 -0.03859190 -0.04231967 -0.02554173 Na 9.28704210 12.33531510 15.48152167 -0.01881579 -0.03129499 -0.06341595 Na 6.18167027 15.37482464 15.45914951 0.03559101 -0.02219643 -0.05375386 Na 12.31955460 12.39993787 12.31211069 0.00964068 -0.03696407 0.00409790 Na 15.44807706 15.39269529 12.29162275 -0.03831963 -0.01732728 0.02861881 Na 15.46262827 12.37041578 15.45583589 -0.04249100 -0.00229172 -0.05848114 Na 12.29420489 15.42605783 15.42164213 0.04967403 -0.03440376 -0.01209272 Na 18.51867272 12.27882237 12.32504389 -0.16390770 0.03024085 -0.01071850 Na 21.66395376 15.37258073 12.27034969 0.06896309 -0.00995755 0.01274420 Na 21.56066752 12.39067509 15.37640402 0.09151546 -0.02017339 -0.00876907 Na 18.55818501 15.45604615 15.48994785 -0.18162573 -0.06821446 -0.09533378 Na 0.01649546 18.51737609 12.36578358 -0.14634408 -0.11864367 -0.00731790 Na 3.04768613 21.54894242 12.39958130 0.13949604 0.13554304 -0.02944425 Na 3.09231127 18.46182302 15.40595526 0.14883268 -0.11351683 -0.00353086 Na 0.01682560 21.59253350 15.39877397 -0.09905586 0.09294218 0.00727827 Na 6.14661757 18.48626733 12.36902966 0.06997455 -0.13020645 -0.02264948 Na 9.25628588 21.65236323 12.31461342 0.00028998 0.06663605 0.00743609 Na 9.26415429 18.57705045 15.45427350 -0.01505054 -0.15496710 -0.05340800 Na 6.16943230 21.66216131 15.45494612 0.02357939 0.07818912 -0.04947044 Na 12.29063221 18.46553191 12.36876425 0.03327898 -0.11668480 -0.02586893 Na 15.38067742 21.57812773 12.30922427 -0.02990262 0.06310003 -0.00664001 Na 15.43006070 18.56982060 15.44779168 -0.05315093 -0.19309539 -0.04855752 Na 12.37196073 21.60356551 15.44466144 -0.01712484 0.09314560 -0.02109093 Na 18.55464489 18.47416583 12.39554289 -0.16011825 -0.13502726 -0.03304925 Na 21.58101028 21.58093759 12.37798169 0.09849324 0.08903730 -0.02433625 Na 21.59685201 18.52429422 15.38990814 0.13245476 -0.08561219 -0.00475848 Na 18.46628197 21.64071606 15.39741761 -0.07305611 0.11681208 -0.00094759 Na 0.00215512 0.04210137 18.53403128 -0.12230083 -0.13850277 -0.05467545 Na 3.03059197 3.04244955 18.53796422 0.16934180 0.15640403 -0.12514713 Na 3.12375644 0.02406966 21.65526044 0.05704295 -0.12122706 0.11024640 Na 0.02599919 3.08049040 21.58697155 -0.12717352 0.06369197 0.13385320 Na 6.15269601 0.00225834 18.51020756 0.02613891 -0.12833808 -0.09651006 Na 9.21320767 3.04398572 18.52205330 0.00438859 0.18263473 -0.14958647 Na 9.25421629 0.04231849 21.55882424 -0.00969485 -0.10699503 0.10477283 Na 6.12578344 3.11440126 21.60394946 0.04321365 0.10080923 0.11207321 Na 12.30670558 0.04627731 18.47794431 0.03301781 -0.12102640 -0.06650658 Na 15.44311029 3.11261844 18.48475785 -0.04090624 0.08718719 -0.10858919 Na 15.46384331 0.00155713 21.62615583 -0.03847600 -0.07973459 0.07170687 Na 12.28577436 3.07569060 21.62992582 0.03758070 0.09915538 0.11183285 Na 18.58189481 0.02774916 18.55162193 -0.10972855 -0.14981641 -0.10677728 Na 21.57963104 3.09011268 18.48370067 0.16334580 0.09456323 -0.06513010 Na 21.60575467 0.03924851 21.66472269 0.07703703 -0.06530928 0.06594074 Na 18.54686463 3.05860965 21.55910371 -0.10043513 0.09921514 0.16238510 Na 0.04160168 6.15256139 18.54438310 -0.13913532 0.01848903 -0.11149290 Na 3.05313240 9.23089449 18.48251251 0.18029538 0.04477954 -0.08480854 Na 3.07225885 6.15394486 21.58729750 0.12276097 0.03121822 0.12359236 Na 0.04659045 9.15811084 21.60235589 -0.09918018 0.03312557 0.09455132 Na 6.21383118 6.26394910 18.56396387 -0.00531080 -0.02955421 -0.15072027 Na 9.24668990 9.21319136 18.57545840 0.04110497 0.05008506 -0.16920219 Na 9.28073961 6.17208603 21.55991173 0.02068958 0.01707827 0.10860648 Na 6.23371773 9.21295847 21.63147495 -0.03444491 0.02721778 0.09149739 Na 12.39303424 6.12365432 18.56422468 -0.03103899 0.05767616 -0.18403691 Na 15.43514218 9.26893684 18.46915757 -0.03060169 -0.01423973 -0.15260825 Na 15.49488669 6.17863736 21.56015250 -0.04538292 0.02465469 0.10772269 Na 12.40609527 9.32132367 21.58734808 -0.01153481 -0.03319842 0.09174164 Na 18.53593679 6.11669603 18.52594938 -0.10939048 0.07812728 -0.13212043 Na 21.63127126 9.31597224 18.55850300 0.12004036 -0.03364197 -0.12460895 Na 21.57856973 6.18792362 21.64831180 0.09123661 0.01584223 0.08296543 Na 18.52573076 9.29894615 21.59471951 -0.09567217 -0.02475410 0.12211620 Na 0.04803683 12.37524031 18.56879023 -0.14030442 -0.03329784 -0.09862097 Na 3.05623040 15.44381037 18.52225593 0.16544475 -0.02337015 -0.12249766 Na 3.04964920 12.35734819 21.62146645 0.12263085 -0.03011921 0.11433836 Na 0.00967252 15.46929248 21.57115878 -0.10405563 -0.01843768 0.11113239 Na 6.17671900 12.38773605 18.53844596 0.02800924 -0.04962042 -0.15204309 Na 9.29562622 15.47011746 18.49362998 0.00598761 -0.05831755 -0.12187257 Na 9.21282377 12.26182556 21.64623009 0.02099674 0.03258984 0.06643477 Na 6.17890002 15.41132975 21.55333331 0.01448535 -0.01704222 0.09822746 Na 12.35978057 12.29624592 18.54742706 -0.02231264 0.03686141 -0.15358742 Na 15.47105205 15.41358079 18.52939840 -0.08951464 -0.02892161 -0.15281952 Na 15.47644427 12.32495009 21.56514215 -0.04489324 0.01836288 0.09944259 Na 12.29103481 15.41519982 21.66793122 0.02196833 -0.03003942 0.06587063 Na 18.56432642 12.28425328 18.58107652 -0.15379291 0.01706458 -0.18382540 Na 21.54530167 15.44331627 18.47459113 0.14650825 -0.02181907 -0.07143802 Na 21.60041102 12.40400832 21.55445077 0.10554667 0.00629946 0.11524648 Na 18.48438492 15.45535941 21.60354808 -0.07641920 -0.02413280 0.13130371 Na 0.04638816 18.55734528 18.55286374 -0.16269582 -0.07146053 -0.11211538 Na 3.10698406 21.62426600 18.52458918 0.07337502 0.15028991 -0.09730988 Na 3.03698085 18.58069180 21.55862933 0.11595264 -0.10762048 0.16641343 Na 0.00434301 21.65779284 21.66399752 -0.06361315 0.06722111 0.05613710 Na 6.17147478 18.55075858 18.54006073 0.01274446 -0.16763157 -0.16253119 Na 9.20190538 21.55149645 18.54837114 0.04319112 0.13861757 -0.10092102 Na 9.20257956 18.49512984 21.64202303 0.02919913 -0.10258300 0.12254460 Na 6.21967965 21.55054672 21.60174587 -0.00413893 0.11471957 0.11643982 Na 12.32423801 18.56222181 18.58117420 0.01208108 -0.16775539 -0.15087060 Na 15.48403667 21.57314834 18.56763131 -0.03722485 0.13984959 -0.12040864 Na 15.49521567 18.56489471 21.54736095 -0.05339373 -0.13805551 0.13730142 Na 12.38424110 21.56959975 21.62890694 -0.02490465 0.09565745 0.09281522 Na 18.54512565 18.47265256 18.49296455 -0.09634444 -0.06690190 -0.11099443 Na 21.65895945 21.64216595 18.57664620 0.08596125 0.08761438 -0.09049803 Na 21.66350715 18.52561059 21.64929957 0.09548701 -0.07714721 0.09336165 Na 18.53140333 21.58209778 21.59635776 -0.04529865 0.11356758 0.11543459