108 Lattice="11.476780781957622 0.0 0.0 0.0 11.476780781957622 0.0 0.0 0.0 11.476780781957622" Properties=species:S:1:pos:R:3:forces:R:3 energy=-584.3302451935737 stress="-0.012929826026789768 0.0002767779008192883 0.00013236615329229897 0.0002767779008192883 -0.012844009585966583 0.00044319466340104406 0.00013236615329229897 0.00044319466340104406 -0.012689053604915604" free_energy=-584.3302451935737 pbc="F F F" Pt 0.00272983 0.00636641 0.00713481 1.43126621 1.41184342 1.43591289 Pt 1.88932547 1.90708752 0.02495276 -0.29716182 -1.00718219 -0.58756570 Pt 1.87703173 0.00475156 1.94201777 -0.35463317 -0.41432665 -0.89516015 Pt 0.03211461 1.91269202 1.89171219 -0.86727874 -0.81201748 -0.59290584 Pt 3.86346353 0.00745717 0.00122245 -0.12632047 0.84440553 0.87521805 Pt 5.75121568 1.90850269 0.01867126 -0.20238800 -0.57484538 -0.81563736 Pt 5.75223100 0.02586077 1.90126597 -0.13058574 -0.78959432 -0.56031479 Pt 3.84299914 1.91982114 1.94117619 -0.26036035 -0.98502297 -0.89205266 Pt 7.64350834 0.03464809 0.00278702 0.63976674 0.81215212 0.88799514 Pt 9.59061002 1.94016439 0.02475045 -1.04226886 -0.50319653 1.06046463 Pt 9.58987445 0.00536361 1.94380783 -1.16586317 1.17897655 -0.50226867 Pt 7.64758810 1.91640537 1.88078127 1.20047243 -0.80864763 -0.51936074 Pt 0.03260068 3.82169107 0.02860571 0.38323627 0.04406058 0.32595588 Pt 1.88193083 5.76454462 0.01688666 -0.19962170 -0.04029166 -0.54345006 Pt 1.94402965 3.80811938 1.89526220 -0.59532833 0.24447514 -0.72755777 Pt 0.03027081 5.71054094 1.92423019 -0.84431765 0.26135058 -0.75635587 Pt 3.85198841 3.80585848 0.00281426 -0.16686787 0.07782265 -0.68919533 Pt 5.76473445 5.73618246 0.01202962 -0.17241157 -0.09529672 -0.67973547 Pt 5.71776345 3.80302563 1.94058615 0.33480939 0.26104219 -0.65602228 Pt 3.85049287 5.70815752 1.90170138 -0.47078947 0.31827069 -0.76187528 Pt 7.62650883 3.84667107 0.02189580 0.88259855 -0.09637621 -0.44889438 Pt 9.53452390 5.71903323 0.00378758 -0.60728906 0.01294277 0.68582431 Pt 9.60072899 3.80364931 1.92820749 0.28210382 0.13948743 -0.78348794 Pt 7.66315700 5.77150204 1.91678724 0.85756467 -0.49437714 -0.46124705 Pt 0.01570301 7.64640386 0.00387792 0.92228119 0.49493484 0.93333268 Pt 1.92853319 9.55844921 0.02412190 -0.39919051 -0.99528593 0.93645059 Pt 1.89790368 7.66230375 1.91799316 -0.28540058 0.73882050 -0.93018830 Pt 0.03670964 9.56677397 1.94082092 0.79198487 -0.72648395 -0.57422130 Pt 3.87814875 7.63706029 0.02360034 -0.30715396 0.70213000 -0.35608547 Pt 5.72607732 9.53723769 0.01580880 0.03920158 -0.59932898 0.70740922 Pt 5.76678691 7.64404198 1.94070042 -0.32159169 1.10603106 -1.02250863 Pt 3.81737638 9.58326021 1.92754005 0.05076051 0.22827064 -0.63250298 Pt 7.62889838 7.62960470 0.01289671 0.90704783 1.01341955 -0.44687526 Pt 9.58690123 9.57434923 0.03666054 -1.45876551 -1.46121270 1.53948528 Pt 9.57045665 7.67964979 1.88236203 0.27865886 0.65168872 -0.71847028 Pt 7.67737669 9.59667920 1.91739900 0.65118587 0.19032847 -0.95456031 Pt 0.00650489 0.00607693 3.79172171 0.69673336 0.70439902 0.16306659 Pt 1.89668487 1.94062977 3.80189373 -0.59084422 -1.08716936 0.49495031 Pt 1.94404184 0.01960959 5.77467332 -0.63506803 -0.56624631 -0.36883518 Pt 0.01136578 1.87658038 5.77071618 -0.32452415 -0.37779245 -0.31308489 Pt 3.84774124 0.02544694 3.85076715 -0.30634090 -0.73442837 -0.26011073 Pt 5.76819015 1.90314405 3.82646231 -0.24050810 -0.30080528 -0.15614495 Pt 5.70788813 0.02237042 5.73676828 0.30201731 -0.88948261 0.07529921 Pt 3.82181783 1.94513943 5.70623808 -0.04127910 -0.58279493 0.30811941 Pt 7.64058336 0.01603749 3.84352021 0.66703088 -0.86557934 -0.41050461 Pt 9.52953022 1.90693354 3.84441189 0.84903599 -0.55769458 -0.35566104 Pt 9.54201311 0.03688460 5.70141128 -0.34857536 0.29679888 0.20952298 Pt 7.64173756 1.88161464 5.72515708 0.75386020 -0.09500163 0.42588656 Pt 0.03760190 3.84489905 3.80896688 -0.99020426 -0.33500370 0.22071415 Pt 1.90108781 5.71990851 3.79591515 -0.22206335 0.50422515 0.34254725 Pt 1.92608249 3.85493825 5.73642724 -0.77799203 -0.34854453 0.18406326 Pt 0.00336606 5.72142599 5.71665683 -0.46284953 0.29254282 0.18718583 Pt 3.78911602 3.83698207 3.84865330 0.54952722 -0.01734558 -0.22405780 Pt 5.70740873 5.75427232 3.78402981 0.63837556 -0.55648236 0.49408100 Pt 5.76871360 3.79398071 5.70052227 -0.11047268 0.68081815 0.20110163 Pt 3.84989491 5.76853031 5.72527082 -0.47550266 -0.35671078 0.19136695 Pt 7.68154090 3.82713382 3.78583145 0.28747249 0.16742975 0.32458592 Pt 9.57205299 5.71746124 3.85374084 0.60554600 0.20141166 -0.27096352 Pt 9.57787062 3.80880721 5.73794534 0.27139396 0.16413993 0.21996541 Pt 7.65829363 5.76387141 5.70573101 0.54782839 -0.35796856 0.29598899 Pt 0.02566112 7.68002631 3.79597627 -0.66825191 0.41930442 0.31049027 Pt 1.91667486 9.58385851 3.86258149 -0.40318170 0.55608455 -0.18007032 Pt 1.92312677 7.68708937 5.70997417 -0.66053926 0.19171064 0.43826791 Pt 0.00805977 9.58038166 5.71509856 0.68888974 -0.78152127 0.11337659 Pt 3.82604370 7.63063953 3.79408823 -0.31291681 1.01122920 0.04275104 Pt 5.75939132 9.56229943 3.83402780 -0.24403583 0.73176249 -0.11307411 Pt 5.69863256 7.61754929 5.70720786 0.55868395 1.13324894 0.37587242 Pt 3.86206988 9.58718131 5.73848603 -0.20564306 0.33564157 0.03450685 Pt 7.64211510 7.68030462 3.81831188 1.04715204 0.33954058 0.10460544 Pt 9.56696000 9.55048883 3.76657668 -0.57042885 -0.56819949 0.14626980 Pt 9.59823187 7.64636455 5.70229267 0.18699001 0.71101906 0.24934998 Pt 7.64171008 9.54630936 5.71571445 0.72564506 0.34861366 0.34213088 Pt 0.02696434 0.01857700 7.65499116 0.77215828 0.70810651 0.52292065 Pt 1.94874454 1.89312230 7.64359948 -0.63272313 -0.33674452 0.91663707 Pt 1.91514987 0.01568259 9.55700227 -0.36135732 0.95271307 -0.91083587 Pt 0.03473786 1.89224226 9.56415534 0.90332351 -0.40810608 -0.85789248 Pt 3.89180746 0.02557067 7.64907691 -0.53173278 -0.79593333 0.60703269 Pt 5.71391170 1.92388332 7.64054969 0.41782031 -0.20139828 0.62230103 Pt 5.74177232 0.03405119 9.53824628 0.14703252 0.35408751 -0.28655120 Pt 3.88377288 1.91439541 9.55964118 -0.31166613 -0.36418750 0.58698390 Pt 7.66951882 0.03817501 7.68698072 0.53641838 -0.60695667 0.44992046 Pt 9.56274971 1.90247847 7.66968864 0.50110172 -0.42567505 0.54576089 Pt 9.55523142 0.01609123 9.52912881 -1.20170186 1.23469068 -1.18458110 Pt 7.67665060 1.92901998 9.54994514 0.52623222 -0.47979016 0.56573078 Pt 0.02148800 3.78163303 7.64635220 -0.39737063 0.19530556 0.70745154 Pt 1.91113844 5.70737447 7.63951709 -0.80338672 0.51380691 0.72973038 Pt 1.94461535 3.78394272 9.57788713 -0.71030533 0.16471381 0.27912061 Pt 0.02410132 5.71182456 9.56698829 0.89868952 -0.01571645 -0.91000246 Pt 3.83685516 3.86664951 7.65341182 0.10504167 -0.31834840 0.46480316 Pt 5.74121245 5.75011016 7.64291774 0.19459132 -0.24563399 0.30110431 Pt 5.76465066 3.88114277 9.57255810 -0.22801272 -0.28109680 0.51590845 Pt 3.79461840 5.77179065 9.56869651 0.08425097 -0.35515599 0.66362900 Pt 7.64124031 3.80909215 7.64615928 0.94679205 0.38977533 0.43989891 Pt 9.59005252 5.77247413 7.67911830 0.07337468 -0.25850618 0.41019002 Pt 9.57806816 3.80237653 9.57283099 -0.84630397 0.12906144 -0.88226902 Pt 7.62889592 5.73275118 9.56026356 1.04232639 0.09379368 0.33294441 Pt 0.00169865 7.63753260 7.67797336 -0.18560354 0.53395834 0.48131061 Pt 1.87805938 9.54324454 7.67119303 -0.53852751 0.55253988 0.38499691 Pt 1.94857755 7.68740950 9.53046827 -1.06027620 0.42844093 0.69322489 Pt 0.01961114 9.56401333 9.52976420 1.26375327 -1.29989727 -1.30690112 Pt 3.84070546 7.66292619 7.68546024 -0.37105388 0.62002979 -0.09369742 Pt 5.71277151 9.55508454 7.66343566 0.37923130 0.42326902 0.49190278 Pt 5.72309029 7.62252368 9.53166301 0.34062673 0.87771275 0.82540144 Pt 3.84250155 9.57334804 9.57954225 -0.00535609 -0.62264213 -0.68659513 Pt 7.67452872 7.64984058 7.63391185 0.73376156 0.95553477 0.73496805 Pt 9.56837412 9.57692847 7.67071340 -1.24890028 -1.27366074 0.45681579 Pt 9.59513122 7.64085337 9.54938338 -1.13936343 0.56721723 -1.10088724 Pt 7.64244286 9.55568706 9.56490101 0.54480418 -1.14542401 -1.23358401