500 Lattice="19.222202859629434 0.0 0.0 0.0 19.222202859629434 0.0 0.0 0.0 19.222202859629434" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-2548.910127340378 pbc="F F F" Pt -0.03618733 -0.00650903 -0.03574930 78 1.55646002 1.54396229 1.58176015 Pt 1.92571958 1.92325191 0.00211006 78 -0.31565791 -0.22330638 0.30307059 Pt 1.95320385 0.00273284 1.90883969 78 -0.39172623 0.37679645 -0.29385491 Pt -0.03633651 1.95458087 1.91276730 78 0.55685435 -0.46350818 -0.17594140 Pt 3.87751627 0.03190963 -0.03283708 78 -0.21051613 1.01677265 1.16415526 Pt 5.78387314 1.90820593 0.05185090 78 -0.21922055 -0.23410636 -0.06188024 Pt 5.73537073 -0.03454390 1.95236369 78 0.02769907 0.23898099 -0.36764691 Pt 3.79620980 1.95922506 1.92366641 78 0.13468621 -0.89163587 -0.40103677 Pt 7.69793739 0.02421072 -0.03319638 78 -0.04808719 0.99105947 1.16313549 Pt 9.61336511 1.92783344 -0.02456921 78 -0.05413132 -0.15777796 0.25468122 Pt 9.59816469 -0.00058986 1.91129611 78 -0.03983550 0.05761310 -0.29447872 Pt 7.65484843 1.91328829 1.95878056 78 0.33597322 -0.41926318 -0.78348057 Pt 11.47854756 0.01302268 -0.00344274 78 0.19282906 1.00272601 0.99277562 Pt 13.47948341 1.90032441 -0.00395041 78 -0.00964969 -0.16905523 0.24024860 Pt 13.42410060 0.00510138 1.93130212 78 0.30578858 0.18029973 -0.28529585 Pt 11.52227504 1.91947662 1.93527236 78 0.23078352 -0.18884418 -0.85950229 Pt 15.35081426 -0.02567632 0.02431025 78 0.08518080 1.36305375 1.31325115 Pt 17.32131296 1.91251234 -0.00743466 78 -1.37850600 0.04473625 1.27928560 Pt 17.30186456 0.01701897 1.91053484 78 -1.35837687 1.25255444 0.07711374 Pt 15.42221471 1.96064324 1.89904899 78 0.08549050 -0.85646429 -0.18889723 Pt -0.00316853 3.84989335 0.02018149 78 0.99585466 -0.12425489 0.87188645 Pt 1.92704689 5.78291095 -0.02525876 78 -0.40897524 -0.06691115 0.10304526 Pt 1.90853474 3.85503504 1.91196238 78 -0.34476219 -0.28643475 -0.32423675 Pt 0.01567952 5.72224827 1.96029584 78 -0.22163810 0.23344952 -0.62844754 Pt 3.85521996 3.87709700 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0.18656164 1.19358718 Pt 17.30779377 3.81504277 1.93700804 78 -0.00904027 0.05262264 -0.41244490 Pt 15.35470232 5.75598642 1.94716384 78 0.78017240 0.24769229 -0.80006794 Pt 0.00778359 7.68461636 -0.02423280 78 0.91691604 -0.07157671 1.13627109 Pt 1.87462783 9.57344590 0.01346862 78 -0.00367070 0.22506054 0.20790787 Pt 1.90326761 7.66994428 1.92744015 78 -0.34280698 0.27923960 -0.45534875 Pt -0.03290221 9.58090096 1.95119155 78 0.34887854 0.21716922 -0.32123602 Pt 3.83602217 7.69358360 0.02256610 78 -0.09009942 0.30681314 -0.24685150 Pt 5.80193359 9.61638647 -0.03127909 78 -0.27799975 -0.03343188 0.07131724 Pt 5.78315640 7.66747214 1.93592556 78 0.11348668 0.17353548 -0.68404442 Pt 3.84018043 9.63168201 1.95878558 78 -0.26178083 -0.26152294 -1.27714087 Pt 7.69563499 7.66501043 -0.02621645 78 0.04412780 0.04302711 0.15576268 Pt 9.59244145 9.57158836 0.03368959 78 0.06878066 0.14519367 -0.19165054 Pt 9.64285741 7.65401417 1.93845697 78 -0.29466858 0.25150461 -0.74595881 Pt 7.66272361 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0.12417397 1.17848400 Pt 17.31139349 11.58005819 1.95524730 78 -0.25972768 -0.24880621 -0.46240657 Pt 15.35102871 13.42849345 1.94996216 78 0.68055214 0.49373536 -0.51550684 Pt 0.03010491 15.34662941 -0.01462335 78 1.13150442 0.12292188 1.25363510 Pt 1.89289009 17.31686387 0.01385854 78 0.06757030 -1.22658345 1.18287935 Pt 1.93501976 15.39784986 1.91394571 78 -0.39050888 0.29885971 -0.24483793 Pt 0.03308813 17.26493572 1.95822530 78 1.02472871 -0.95779473 -0.18014454 Pt 3.80200775 15.40000078 0.01894419 78 0.11725459 0.25582916 -0.25974696 Pt 5.81059256 17.32527130 -0.03625265 78 -0.03132086 -1.22218498 1.17955624 Pt 5.73116041 15.39502163 1.91945669 78 0.51000494 0.35468613 -0.32916726 Pt 3.87073137 17.27204627 1.88266266 78 -0.22538996 0.27413610 -0.04219752 Pt 7.70237013 15.35519947 -0.02668414 78 -0.13463216 0.43376454 0.33511924 Pt 9.61636699 17.28950083 0.01469389 78 -0.11561295 -0.87447559 0.86825406 Pt 9.63178596 15.38635154 1.88539837 78 -0.56860213 0.22184465 0.14951777 Pt 7.68862287 17.30826992 1.94678492 78 0.02447207 -0.20068162 -0.44579257 Pt 11.49934001 15.34054219 0.02985367 78 0.31451669 0.56665256 -0.43483600 Pt 13.43420693 17.30488139 -0.01664883 78 0.22718906 -1.20179522 1.15776729 Pt 13.42404099 15.36770193 1.90757719 78 0.41542797 0.46520447 -0.25001615 Pt 11.53653272 17.27763812 1.90171280 78 0.13364319 0.10843547 -0.06679868 Pt 15.40247249 15.37129713 0.02760924 78 0.09337230 0.13726415 0.30146634 Pt 17.30661932 17.33362426 -0.00124815 78 -1.43321179 -1.52499527 1.47857223 Pt 17.31377928 15.35529138 1.93091601 78 -0.44803815 0.22057929 -0.18711930 Pt 15.40364525 17.26664773 1.91673428 78 0.09964741 -0.24441131 -0.21216110 Pt 0.03476933 -0.03351295 3.80689828 78 0.98883560 1.19311908 -0.04504683 Pt 1.89241570 1.90776616 3.84356698 78 -0.33673269 -0.49004917 -0.18052578 Pt 1.91789369 -0.02282505 5.75160257 78 -0.24247799 0.41359568 0.20173604 Pt -0.03406908 1.95800844 5.77856996 78 0.42416376 -0.56078194 0.03576582 Pt 3.81991365 -0.03738137 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7.72699572 5.79214401 5.80840356 78 -0.29596884 -0.47515320 -0.43158789 Pt 11.49923112 3.85726483 3.81272451 78 0.27478453 -0.25389078 0.01991884 Pt 13.48661667 5.73824458 3.87931372 78 -0.21206648 0.31119773 -0.49857175 Pt 13.47774584 3.83838625 5.73353098 78 -0.12631921 -0.67667505 0.26279974 Pt 11.56304781 5.73482226 5.78048949 78 -0.29477192 0.30997194 -0.38439899 Pt 15.40205901 3.86146863 3.84760494 78 0.29609701 -0.58868104 -0.42663190 Pt 17.27000831 5.74024956 3.87514639 78 0.53170904 0.26227817 -0.47592382 Pt 17.28319757 3.82178280 5.73544630 78 0.62500974 -0.03659953 0.33142648 Pt 15.37877200 5.74178272 5.76829262 78 0.50296932 0.29411560 0.23096882 Pt -0.02696789 7.66395895 3.82555607 78 -0.02399867 0.30664391 -0.06917529 Pt 1.95839656 9.64826907 3.86983780 78 -0.88653625 -0.55347132 -0.54891681 Pt 1.92490147 7.70719459 5.78613920 78 -0.27418794 -0.11193474 -0.22265812 Pt 0.03031098 9.61094887 5.73548423 78 -0.45290272 -0.24065235 0.22611672 Pt 3.84278626 7.71020157 3.79255244 78 -0.31787496 -0.41748818 0.28749162 Pt 5.76524847 9.58563948 3.80779966 78 0.32941435 0.15937454 0.27531810 Pt 5.77153117 7.66227161 5.79369507 78 -0.31308663 0.24057991 -0.33086354 Pt 3.89431523 9.61559011 5.73503843 78 -0.40920633 -0.22256000 0.31173721 Pt 7.72487420 7.65610140 3.85366965 78 -0.56825614 0.41162343 -0.44643079 Pt 9.62009872 9.60311017 3.87154878 78 -0.29881429 0.21502950 -0.67875683 Pt 9.57462825 7.65824817 5.74518932 78 0.62605222 0.35955971 0.51260557 Pt 7.69226784 9.56927657 5.79982828 78 -0.11654812 0.35412788 -0.38648706 Pt 11.50554684 7.72525133 3.87196050 78 0.36149823 -0.59737592 -0.32414189 Pt 13.43957263 9.63283806 3.85141650 78 0.42228803 -0.13256954 -0.50963065 Pt 13.46635133 7.70062187 5.74048738 78 0.22543511 -0.07261498 0.13965506 Pt 11.55560595 9.58382895 5.74533319 78 -0.26194878 0.27232508 0.45761290 Pt 15.40140261 7.68178585 3.85332044 78 0.12742962 0.12124858 -0.42703477 Pt 17.29961958 9.62143469 3.87107078 78 0.33319911 0.08532770 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78 -1.05010121 -1.03338952 0.18451772 Pt 17.32037047 15.37293158 13.44800037 78 -0.34883023 0.25065791 0.19701606 Pt 15.38148953 17.30436914 13.51515962 78 0.23669584 -0.16673389 -0.31930759 Pt -0.00152826 -0.02338239 15.36053988 78 1.40646550 1.41812934 0.06378441 Pt 1.95667869 1.93013890 15.41357672 78 -0.84979975 -0.40784687 0.11237315 Pt 1.89234725 -0.01865980 17.32115927 78 0.06834497 1.32293175 -1.36482930 Pt 0.02588829 1.91058922 17.33034683 78 1.24347875 0.00633857 -1.39622817 Pt 3.81374781 -0.00614321 15.39398462 78 0.16992968 0.09762268 0.22647596 Pt 5.78650096 1.93965299 15.36767783 78 -0.37846915 -0.78520369 0.36500683 Pt 5.73523362 -0.01717152 17.33620491 78 0.04267749 1.13112365 -1.29391157 Pt 3.82203676 1.91590350 17.27619403 78 0.06073678 -0.25822452 0.12743868 Pt 7.69714530 -0.02896588 15.34067457 78 -0.06168909 0.24720880 0.42100955 Pt 9.59795485 1.92949912 15.40716933 78 -0.05452870 -0.61307505 0.30235971 Pt 9.60882038 -0.01666932 17.30668223 78 -0.09002694 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-1.11604748 Pt 3.85291560 11.50290976 15.37735276 78 -0.05552488 0.27020662 0.36902384 Pt 5.77755715 13.44260441 15.37747840 78 -0.23379400 0.26855615 0.37219892 Pt 5.78812516 11.49896113 17.30750551 78 -0.22026920 0.21863642 0.22711280 Pt 3.81687142 13.45925969 17.25681191 78 0.03657662 -0.00278401 0.26946270 Pt 7.66928523 11.52466470 15.39218107 78 0.25293100 0.18291136 0.19608842 Pt 9.59864943 13.46404305 15.39170405 78 0.06598220 0.03425566 0.24890995 Pt 9.62260996 11.53477941 17.31513063 78 -0.20692406 0.01071493 0.22252047 Pt 7.69987204 13.41990046 17.30473395 78 -0.10400856 0.41187471 0.23066224 Pt 11.50018579 11.49575210 15.39190900 78 0.35331162 0.62474743 0.11946032 Pt 13.46217282 13.49711951 15.38961683 78 -0.05828255 -0.28395914 0.35040324 Pt 13.41831959 11.51509775 17.30912744 78 0.35531736 0.27434830 0.06945821 Pt 11.50342577 13.43190910 17.33191017 78 0.18629943 0.22946819 -0.00718130 Pt 15.36843746 11.53330452 15.39450694 78 0.44992329 0.06826446 0.39573383 Pt 17.28517667 13.43471405 15.36688438 78 -0.04322069 0.30686955 0.42259102 Pt 17.32633416 11.52035104 17.32739098 78 -1.18504709 0.04475222 -1.26314124 Pt 15.38570618 13.47538182 17.30076156 78 0.22211829 0.05596857 -0.20907124 Pt 0.00713951 15.38169127 15.35211100 78 0.46326452 0.17542671 0.32613808 Pt 1.95394434 17.28125655 15.38264607 78 -0.36223473 -0.25267670 0.14859145 Pt 1.94080665 15.35882153 17.32101028 78 -0.35068513 0.28295197 -0.51941528 Pt 0.03531580 17.33838453 17.26896906 78 1.41834317 -1.50448703 -1.40548172 Pt 3.81841236 15.38545213 15.34141805 78 0.04103812 0.22157822 0.65196898 Pt 5.77948002 17.24196972 15.38288133 78 -0.16399557 0.12224772 0.38687762 Pt 5.71786276 15.34945797 17.31853204 78 0.21309190 0.29027142 -0.19815008 Pt 3.84759334 17.30340143 17.33206385 78 -0.11879288 -1.16243348 -1.19068895 Pt 7.70040077 15.36899649 15.41157195 78 -0.19146644 0.35304686 0.48476977 Pt 9.62471610 17.24784493 15.35119476 78 -0.12219826 0.24183709 0.40327747 Pt 9.63534812 15.39249603 17.28802621 78 -0.18376893 0.25346081 0.18602767 Pt 7.66274369 17.31050924 17.33594836 78 0.05509226 -1.22366090 -1.19431119 Pt 11.52365721 15.36907839 15.40864398 78 0.10336725 0.22883370 0.10359117 Pt 13.41794883 17.30964750 15.37105095 78 0.33436134 -0.11890372 0.47825396 Pt 13.42515586 15.35389096 17.32234513 78 0.29160656 0.41200717 -0.13848372 Pt 11.55735680 17.33177650 17.30938601 78 -0.07498092 -1.10110727 -1.05050338 Pt 15.34104458 15.42402805 15.36393603 78 0.65269930 -0.02616917 0.53094387 Pt 17.31969231 17.27957653 15.34901330 78 -1.27097392 -1.28156638 0.12672119 Pt 17.31427796 15.35968778 17.29173616 78 -1.41131000 0.03471086 -1.40427602 Pt 15.36296020 17.30243351 17.27688697 78 0.00673770 -1.34752823 -1.28266577