256 Lattice="22.053789334658358 0.0 0.0 0.0 22.053789334658358 0.0 0.0 0.0 22.053789334658358" Properties=species:S:1:pos:R:3:forces:R:3 energy=-254.71574053953375 stress="-5.06122108595354e-05 1.4893702830634391e-05 3.868727698929599e-06 1.4893702830634391e-05 -4.5776123681395255e-05 -1.4085741898789486e-05 3.868727698929599e-06 -1.4085741898789486e-05 -7.292836953139651e-05" free_energy=-254.71574053953375 pbc="F F F" Na 0.02664910 0.00560908 0.01109801 0.03526147 0.04079285 0.05256573 Na 2.74983007 2.70197941 0.04555155 -0.01768922 0.02920444 -0.01960706 Na 2.78606546 0.02715833 2.72402777 -0.05172967 -0.00627515 0.02775507 Na 0.01830189 2.78090281 2.79277428 -0.02044256 -0.03973378 -0.05544248 Na 5.47544010 0.01349485 0.05194603 0.01984461 0.01337948 0.02008091 Na 8.22179724 2.73471549 0.04505894 0.03775065 0.03633988 -0.00510029 Na 8.31050666 0.03157383 2.71391440 -0.02512513 -0.02591474 0.02982917 Na 5.54881680 2.79818692 2.78734975 -0.01517346 -0.03424150 -0.05314834 Na 11.02811749 0.04762772 0.07595560 0.00838659 0.00233101 -0.01264928 Na 13.75318235 2.77606886 0.03670092 0.03835400 -0.01441398 -0.01785063 Na 13.81559908 0.01753681 2.74577865 -0.01351138 -0.02385158 -0.00501018 Na 11.07050683 2.73557706 2.76263462 -0.02387944 0.01884431 -0.01520185 Na 16.58884633 0.03682761 0.03108830 -0.02419621 0.02417019 0.01868481 Na 19.30078065 2.72137544 0.01562462 -0.05553546 0.04459049 0.05327566 Na 19.27379481 0.00493246 2.75293961 -0.02709346 0.02540618 0.00332360 Na 16.49284143 2.73432310 2.79789986 0.07342352 0.03913123 -0.05316073 Na 0.01273970 5.54000466 0.00115355 0.03092509 -0.02115768 0.02261159 Na 2.74547610 8.31313420 0.03094086 -0.01034683 -0.02329772 -0.00361864 Na 2.71735940 5.47267475 2.70896668 0.03266613 0.05003314 0.01591073 Na 0.00040551 8.22199854 2.79222606 0.00103983 0.04865734 -0.02141732 Na 5.48155388 5.50910327 0.04997106 0.03194667 0.03639804 -0.00189227 Na 8.35401720 8.28897395 0.04031664 -0.05853287 -0.01949304 -0.01536326 Na 8.33220871 5.56037501 2.81104045 -0.03593635 -0.02782174 -0.08561066 Na 5.54167889 8.31822767 2.80630213 -0.02237405 -0.05386846 -0.05309973 Na 11.06278943 5.54393024 0.02795011 -0.02175612 -0.02840783 0.00439477 Na 13.80141135 8.25035228 0.01929761 -0.04941912 0.04390108 -0.01179284 Na 13.78075642 5.55340501 2.78992220 -0.02868864 -0.01348177 -0.01448802 Na 10.99926633 8.35528026 2.76692604 0.04455323 -0.03167917 -0.02003700 Na 16.48564578 5.56851014 0.04522978 0.07088778 -0.06555148 -0.01417131 Na 19.33558823 8.25412915 0.00831733 -0.05914370 0.02222239 0.03466755 Na 19.32097195 5.55021523 2.75988651 -0.02961685 -0.06265823 -0.01694336 Na 16.50545153 8.22057291 2.73717382 0.05608623 0.04527101 0.02280578 Na 0.03009851 11.06895644 0.00547496 -0.00122769 -0.03237638 0.02471543 Na 2.75651012 13.77070607 0.05022636 0.01151052 0.02561862 -0.04535317 Na 2.71525336 11.04164594 2.72042405 0.01729999 -0.02169492 0.03664686 Na 0.01544821 13.80914290 2.71861554 0.00134733 0.02048082 0.05396316 Na 5.53835334 10.97859377 0.01525426 -0.01198956 0.02234171 -0.01369802 Na 8.29825974 13.72904826 0.03405569 -0.04098181 0.06910087 -0.03800629 Na 8.24666620 11.08009742 2.73713220 -0.00642536 -0.01934839 0.01556381 Na 5.49096063 13.81863444 2.72101169 0.02752279 -0.01145829 0.00381243 Na 11.00871336 11.04896310 0.04083462 0.04025491 -0.02661999 -0.03468116 Na 13.73823724 13.76621284 0.02774873 0.03631059 0.03106325 -0.00045513 Na 13.78307347 11.03751945 2.80659264 -0.00994303 -0.01413649 -0.04925771 Na 10.98892285 13.75054177 2.72347204 0.03084485 0.02959891 0.04477085 Na 16.49647458 11.02336976 0.02003042 0.04013487 -0.01523908 0.01413192 Na 19.26619635 13.71809839 0.05338746 -0.03383800 0.02430550 0.02605943 Na 19.29548130 11.00025853 2.76054593 -0.02666572 -0.01262813 -0.01139175 Na 16.51198681 13.81243469 2.81179137 0.03130849 -0.01808819 -0.04860353 Na 0.04819285 16.58286230 0.02572868 0.01796134 -0.02564415 0.00675294 Na 2.72567099 19.26880016 0.00413060 0.01163029 0.00171441 0.03331230 Na 2.80200917 16.54793740 2.75429293 -0.05365126 0.01761355 0.01744664 Na 0.01106916 19.24550028 2.73989625 0.01975950 -0.01788305 0.00874177 Na 5.50598305 16.63128912 0.01445205 0.01983620 -0.04731408 -0.01927983 Na 8.30419375 19.30215854 0.00937018 -0.01148762 -0.01478175 0.01777404 Na 8.26149449 16.58062336 2.75550395 -0.00967334 -0.02324954 -0.02333013 Na 5.53138465 19.32418914 2.76264151 -0.01957628 0.00696452 -0.01476574 Na 11.04083854 16.54810140 0.02630646 -0.01267445 0.00982696 -0.01341666 Na 13.78844937 19.31799846 0.03504099 0.00847207 -0.02876055 0.03058862 Na 13.72949763 16.58479524 2.79016659 0.02580885 -0.02386203 -0.02679755 Na 10.99499771 19.31537821 2.71880771 0.03059260 0.01509654 0.01973804 Na 16.55852825 16.58024796 0.06688083 -0.02607323 -0.03874322 -0.02040623 Na 19.25862178 19.27636081 0.04454497 -0.01499674 -0.01443103 0.02461598 Na 19.26511680 16.54571730 2.74555140 0.03366553 -0.00605547 0.01705906 Na 16.58546882 19.25620792 2.76948446 -0.01790740 0.02738654 -0.00300305 Na 0.00391678 0.05059526 5.50152425 0.04525427 0.01462562 -0.01934637 Na 2.80660928 2.80200073 5.46973068 -0.04363927 -0.04881864 0.01696224 Na 2.77178479 0.03901515 8.24547615 -0.00723245 -0.01693808 -0.00478484 Na 0.04237219 2.71078689 8.22033628 -0.00027521 0.02463393 0.01897256 Na 5.51945200 0.04150819 5.45982753 0.01836024 -0.01475589 0.02004662 Na 8.25922199 2.78342337 5.46356224 0.02547880 -0.04612029 0.02375799 Na 8.31409993 0.05077933 8.26660620 -0.02870036 -0.01559757 0.00696117 Na 5.53348279 2.78012375 8.27224084 0.00006093 -0.05099107 0.00483027 Na 11.05803055 0.01682730 5.52602027 -0.01412738 -0.01331766 -0.02790459 Na 13.74479583 2.78672504 5.53025135 0.01703872 -0.02594402 0.00377031 Na 13.78347384 0.03206581 8.25439674 -0.00595530 -0.00021151 0.02509551 Na 10.99103199 2.77927425 8.24764518 0.02696392 -0.02146116 0.02150720 Na 16.50457690 0.04267471 5.48805991 0.03912160 -0.02248015 0.02522114 Na 19.33055839 2.70322691 5.53173318 -0.01035611 0.02071257 -0.02546907 Na 19.29663022 0.02303616 8.29856503 -0.01456642 -0.00934954 -0.02702295 Na 16.58352379 2.69889670 8.27648170 -0.03710577 0.02621907 -0.01532757 Na 0.00493588 5.49364900 5.48302524 -0.00877657 -0.00632492 0.02902947 Na 2.80084938 8.21688775 5.53730326 -0.02381527 0.03348709 -0.05334364 Na 2.80040647 5.52663431 8.22427852 -0.05512927 -0.03301649 0.04914934 Na 0.06454154 8.24944928 8.21900474 -0.03197238 -0.02046800 0.02943313 Na 5.52976414 5.48019645 5.52268133 0.01070500 0.04480364 -0.02207412 Na 8.30466899 8.26720518 5.49341260 -0.04530137 0.01235815 0.04287248 Na 8.25367933 5.50162789 8.28361689 0.01662389 0.00837547 -0.02266566 Na 5.50953986 8.27019910 8.29798164 0.02110186 0.02800658 -0.04855873 Na 10.99533918 5.51962108 5.47248801 0.04123348 0.01744798 0.05668144 Na 13.74715023 8.30325940 5.55114252 0.00205339 -0.03432799 -0.01589126 Na 13.83144128 5.49499680 8.31765898 -0.02462120 0.02006965 -0.04625345 Na 11.03281233 8.32195635 8.26733479 -0.01256548 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8.29420103 0.02076158 -0.02839243 -0.03110264 Na 10.98995010 16.52546427 5.48507091 0.05192861 0.04531370 0.01557938 Na 13.82929112 19.32324387 5.50788536 -0.03751134 -0.00539994 -0.01520421 Na 13.79462785 16.56800430 8.31090574 -0.02089393 -0.00666298 -0.03820942 Na 11.06457771 19.33618873 8.22104555 -0.00497529 -0.01411222 0.02128388 Na 16.53067300 16.53545181 5.52099721 0.05498602 0.03578418 0.01729708 Na 19.33934130 19.34674329 5.48652968 -0.06928075 -0.07072738 0.03154424 Na 19.33103225 16.52818903 8.28628300 -0.03481836 0.05555958 -0.01504723 Na 16.49116271 19.30207980 8.30631048 0.09009949 -0.01931303 -0.01729387 Na 0.03086187 0.02032755 11.04649248 0.01280864 0.01940592 -0.02287325 Na 2.77137407 2.70334168 11.04751410 -0.04058822 0.05126274 -0.03659777 Na 2.72477791 0.05116241 13.76159396 0.01569469 -0.04436675 0.02859051 Na 0.02865696 2.70790669 13.82218547 -0.02995669 0.04818982 -0.03480492 Na 5.49766634 0.02235884 11.04901307 0.01122059 -0.02508524 -0.03533172 Na 8.28762776 2.74202135 11.05718265 -0.01615644 0.01512553 -0.04008031 Na 8.22845557 0.05160203 13.75867259 0.02854114 -0.02795817 0.03073534 Na 5.47781646 2.78508830 13.73118741 0.01819025 -0.01234854 0.04695700 Na 11.08166328 0.02774396 11.06695491 -0.01856451 -0.01497947 -0.02390947 Na 13.76832719 2.79936415 11.06570288 0.01254435 -0.06660597 -0.02874783 Na 13.80031564 0.00572151 13.83204243 -0.00575908 0.01111778 -0.02033645 Na 10.97488659 2.79833790 13.73085597 0.06536004 -0.05252830 0.06748529 Na 16.57226845 0.04764548 10.99647670 -0.04528618 -0.02282557 0.03643634 Na 19.25485019 2.72026304 10.98088260 0.03248655 0.02503228 0.03898028 Na 19.28710964 0.00949530 13.73521576 -0.04161085 0.03819437 0.01463521 Na 16.49841555 2.78784431 13.79903447 0.07889840 -0.05119533 -0.00743219 Na 0.02094609 5.46892937 11.00046955 0.01859257 0.00227355 -0.01011782 Na 2.80461943 8.31492942 11.03169114 -0.05573849 -0.05201474 -0.01010537 Na 2.71808274 5.54461683 13.79545354 0.01372630 -0.03054509 -0.03636161 Na 0.04896428 8.23201243 13.74543067 -0.03445439 0.02815166 0.01897017 Na 5.47639489 5.52867325 10.99725921 0.01185482 -0.02730467 0.03171214 Na 8.23066701 8.21680262 10.99538856 0.03498481 0.03048551 0.04198350 Na 8.30210491 5.47043266 13.79294455 -0.04717829 0.01992747 -0.02834164 Na 5.49382514 8.26888357 13.75365126 0.02660200 -0.02133092 0.02695849 Na 11.07540560 5.53802503 10.96461094 -0.02707909 0.01157449 0.04191428 Na 13.79052078 8.32099490 11.00959528 0.00644392 -0.05810236 0.02690940 Na 13.79271352 5.50769789 13.83347815 -0.04512843 0.03949663 -0.03196278 Na 10.97476487 8.23016926 13.82321369 0.02713281 0.01679823 -0.04342620 Na 16.52017369 5.47680625 11.07950660 0.03911863 0.03163804 -0.04435984 Na 19.25403943 8.30650519 10.99655475 0.02092810 -0.03503786 0.01552189 Na 19.33719427 5.47701347 13.77054787 -0.01775192 0.02119227 0.01893573 Na 16.56282773 8.25941338 13.74164290 0.02378412 -0.01391089 0.05223205 Na 0.01391931 10.97871205 11.02339139 -0.01967710 0.01146744 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0.00680332 -0.01039850 0.01219373 Na 16.53679078 13.83873770 13.79696997 -0.00480789 -0.06178624 0.03168502 Na 0.04673064 16.62010052 10.97985388 -0.02119543 -0.03293856 0.00892279 Na 2.78822899 19.33047553 11.01595534 -0.01136449 -0.00872824 0.00576266 Na 2.70483341 16.49440202 13.74478680 0.02608544 0.07030331 0.04315263 Na 0.07334387 19.26589400 13.76993773 0.00329268 -0.00725527 0.01342582 Na 5.46420995 16.49097429 11.03340474 0.04459518 0.09474233 -0.01977629 Na 8.29483850 19.34728821 11.02013060 -0.02226900 -0.04040799 0.00533688 Na 8.29056455 16.53955581 13.79749000 -0.00196962 0.02726192 -0.04428141 Na 5.53628710 19.30539964 13.85106826 -0.03876657 -0.02767988 -0.03641607 Na 11.05175242 16.53730212 10.99549986 -0.03062593 0.04130012 0.01473472 Na 13.82675062 19.31884320 11.04623439 -0.03182366 0.00719188 0.00012705 Na 13.72750347 16.53621631 13.75919157 0.03069462 0.02507426 0.03383733 Na 11.05461919 19.26679596 13.77384327 -0.02800963 0.03244582 0.00805536 Na 16.50419367 16.48778869 11.07646110 0.05965977 0.08415625 -0.02979153 Na 19.29613872 19.31163441 11.05768660 -0.05362483 -0.05886113 -0.01077500 Na 19.27597778 16.51647714 13.79926510 0.01615038 0.05067766 -0.01169478 Na 16.54590971 19.34200150 13.78022589 0.00660130 -0.03268836 -0.00900267 Na 0.00509685 0.05141631 16.51506180 0.03109039 0.02019748 0.04215072 Na 2.74071529 2.80935910 16.50258237 0.00046935 -0.04033070 0.08452975 Na 2.67783205 0.05368823 19.32138225 0.02391660 0.03307033 -0.05396190 Na 0.00556644 2.76292021 19.34651329 0.03323913 0.02184153 -0.06957432 Na 5.46724616 0.01297144 16.53398003 0.00717140 0.01653945 0.04528899 Na 8.27762184 2.70491022 16.54405025 -0.04426640 -0.00668670 0.02262179 Na 8.30962818 0.00245964 19.35033209 -0.02027631 0.03450982 -0.05201552 Na 5.51635206 2.74920793 19.35025294 -0.02303524 -0.01792479 -0.03725919 Na 11.04579701 0.00256907 16.59043286 -0.01646658 0.01560313 -0.04281943 Na 13.81760385 2.79911950 16.54998856 -0.06775717 -0.06208193 0.00477988 Na 13.71723243 0.05078810 19.32627700 0.02668577 0.03587518 -0.03352011 Na 11.00651890 2.78016450 19.26025839 0.00220388 -0.02437785 0.03394586 Na 16.53727611 0.06652179 16.54988216 0.02141740 -0.02249506 0.03293713 Na 19.31275960 2.71037855 16.54611762 -0.01364819 0.02787451 0.03286329 Na 19.27231419 0.01150817 19.33071517 -0.04705150 0.04274606 -0.04540041 Na 16.52582421 2.76824078 19.28295085 0.05226522 -0.01727192 0.01976989 Na 0.01875923 5.54872696 16.53704865 -0.03527839 -0.04454357 0.01305087 Na 2.77266672 8.23042635 16.50865003 0.00952284 0.04517254 0.06659543 Na 2.72718294 5.56789294 19.27109115 0.03077696 -0.04182897 0.01512948 Na 0.00860445 8.21755038 19.23912403 0.01349280 0.03354029 -0.00010983 Na 5.52552560 5.51423606 16.53663667 0.00661207 -0.01153570 0.03385392 Na 8.22990701 8.28592381 16.48687025 0.01360313 -0.02317808 0.06737923 Na 8.25472725 5.49184378 19.30403858 -0.01371358 0.01632112 -0.00196306 Na 5.54803236 8.31160792 19.34075137 -0.03007668 -0.02232208 -0.01809650 Na 10.97267287 5.47186869 16.56767936 0.03139449 0.03967301 0.01031525 Na 13.80076353 8.27445816 16.53147849 -0.04465338 -0.03717734 0.02973206 Na 13.77955136 5.46974555 19.28750052 -0.02744538 0.03864686 0.01453889 Na 10.96327618 8.26984611 19.31416920 0.02808142 -0.01201283 -0.02967213 Na 16.49858466 5.48678296 16.55246651 0.11183903 0.03658050 0.01762993 Na 19.28462879 8.30719079 16.58891458 -0.02117737 -0.04709811 -0.03388157 Na 19.30874949 5.57387272 19.33477106 -0.05394495 -0.03048999 -0.06091902 Na 16.49799883 8.25357545 19.33584567 0.04457817 -0.01089100 -0.00564145 Na 0.03993892 11.01001810 16.58400824 -0.02740398 -0.02266401 -0.02820805 Na 2.70938267 13.78703354 16.54132416 0.04691189 -0.00538647 0.00947288 Na 2.71862226 11.06364955 19.30564312 0.02773292 -0.05300881 -0.00433353 Na 0.05256370 13.73894155 19.30098464 -0.01820255 0.02251152 -0.00991454 Na 5.54898469 11.04942862 16.58897003 -0.06837458 -0.00038410 -0.02613580 Na 8.26010371 13.75948997 16.53411978 0.01599247 0.04081986 0.04001187 Na 8.24099060 11.00701951 19.26416954 0.05682726 0.02863496 0.02222396 Na 5.54681063 13.74306290 19.34008476 -0.04154547 0.02223906 -0.00860474 Na 11.02488389 11.05443055 16.52359280 0.00343563 -0.03377976 0.03845073 Na 13.75450051 13.81874242 16.58345399 0.01513589 -0.03513469 -0.06020356 Na 13.80868913 10.97476598 19.24735157 -0.04694040 0.03114310 0.03653766 Na 11.05851025 13.83432513 19.25288179 -0.01515750 -0.02483452 0.02837633 Na 16.48825677 10.99545213 16.56257747 0.05747862 0.04144031 -0.02664257 Na 19.30574100 13.80837827 16.53068922 -0.01623980 -0.01749947 0.05138172 Na 19.29657343 11.00365186 19.24501807 -0.04339311 0.01374402 -0.01336270 Na 16.51868063 13.77436832 19.29759631 0.06639923 0.00410638 -0.00607320 Na 0.02727017 16.55430854 16.58596999 -0.01858948 -0.00930373 -0.01301056 Na 2.71024049 19.28951750 16.56162102 0.03686021 -0.02778277 -0.00541698 Na 2.72332773 16.48713585 19.34349926 0.02138773 0.03779241 -0.02004395 Na 0.05274658 19.33301884 19.24517861 0.02983573 -0.03774634 -0.01185103 Na 5.50747764 16.48729798 16.51420396 -0.03618701 0.02366242 0.05011909 Na 8.21812537 19.26294434 16.56702320 0.05970788 0.00560286 0.01726751 Na 8.24436847 16.51237273 19.33127520 0.01377990 0.02283786 -0.02108603 Na 5.49520153 19.24941489 19.23542367 -0.02618881 -0.02858711 -0.01776957 Na 11.03874356 16.58258162 16.53189322 -0.01608048 -0.00071685 0.03834405 Na 13.82508571 19.32970513 16.51210539 -0.01107165 -0.01024052 0.03797717 Na 13.87662806 16.54650260 19.25642414 -0.03680037 0.05497070 0.02005215 Na 11.02875360 19.25249100 19.33846783 0.01016463 -0.04667327 -0.05578447 Na 16.54961517 16.54510765 16.53681969 0.00951932 0.02716000 0.00675558 Na 19.20254056 19.32361895 16.53791520 -0.00129168 -0.02120437 -0.02139748 Na 19.32018259 16.62707341 19.26954753 -0.05804697 -0.03654587 -0.03726979 Na 16.58847449 19.34119311 19.24726911 -0.02075640 -0.02689973 -0.01116757