108 Lattice="11.476782970979837 0.0 0.0 0.0 11.476782970979837 0.0 0.0 0.0 11.476782970979837" Properties=species:S:1:pos:R:3:forces:R:3 energy=-584.2774935110133 stress="-0.013051997203231858 0.0006322880506609719 -0.00036704577839409536 0.0006322880506609719 -0.014390964357520766 -0.00019053619700948663 -0.00036704577839409536 -0.00019053619700948663 -0.013588690290999487" free_energy=-584.2774935110133 pbc="F F F" Pt 0.00724559 0.01523984 0.02380536 1.26193000 1.27633554 1.25761684 Pt 1.90396180 1.90388955 0.03776237 -0.47299667 -0.49661499 -0.83361116 Pt 1.89286725 0.02526174 1.87709061 -0.66298284 -0.53715241 -0.40490042 Pt 0.00401883 1.93839466 1.87480611 -0.44011811 -0.80403665 -0.25396000 Pt 3.81709907 0.02645852 0.00634717 0.07386171 0.61411247 0.66374697 Pt 5.75087365 1.93879263 0.01353049 -0.26599236 -0.81486457 -0.75825879 Pt 5.73536540 0.03270323 1.91502349 0.00089652 -0.47989429 -0.47935123 Pt 3.82659086 1.93495756 1.90399707 -0.07300482 -0.92315225 -0.62150040 Pt 7.66295796 0.03175345 0.02091795 0.38266808 0.81862248 0.77036075 Pt 9.56859053 1.94559143 0.00642820 -0.80277185 -0.49048210 0.82323525 Pt 9.53745970 0.03613389 1.93212266 -0.59307809 0.56205888 -0.60793236 Pt 7.64728959 1.92398646 1.89113224 0.90101956 -0.98490581 -0.03123552 Pt 0.00402695 3.78907192 0.02729452 0.45291948 0.13111815 0.37670598 Pt 1.87565056 5.71555483 0.01573848 -0.29061181 0.34172315 -0.66210217 Pt 1.94925853 3.85776504 1.90608645 -0.93128286 -0.58148806 -0.51644763 Pt 0.03777138 5.70883205 1.92836949 -0.87520569 0.39657421 -0.69399201 Pt 3.84520712 3.87775330 0.01545988 -0.04803139 -0.23307792 -0.67532048 Pt 5.74472268 5.72929205 0.03438380 0.12294332 -0.05805679 -0.77388557 Pt 5.76872676 3.78873455 1.93159866 -0.34739452 0.65864186 -0.50192530 Pt 3.80344288 5.76545106 1.93275512 0.38104955 -0.21206976 -0.68476474 Pt 7.66050596 3.79099600 0.03637553 0.54714893 0.38398771 -0.99790663 Pt 9.54419897 5.71115606 0.01944268 -0.47204746 0.15407815 0.46262656 Pt 9.54519474 3.86238320 1.89945642 0.65955308 -0.29821354 -0.23622108 Pt 7.66201027 5.76457020 1.90929563 0.63357256 -0.35756917 -0.20911853 Pt 0.02586773 7.65999108 0.02812867 0.79385626 0.41807948 0.74905098 Pt 1.93652147 9.54746035 0.00510665 -0.39260198 -0.85456652 0.83569588 Pt 1.93053216 7.68443810 1.91566791 -0.98267242 0.26374283 -1.10343034 Pt 0.00680097 9.52908361 1.89424467 0.68598442 -0.64763955 -0.49347555 Pt 3.87824705 7.64770650 0.02837845 -0.29755732 0.64877164 -0.59463991 Pt 5.73173212 9.54979611 0.00197744 0.01893356 -0.68139827 0.74125198 Pt 5.76776974 7.61596596 1.91070162 -0.35895548 1.15327233 -0.40268785 Pt 3.80506338 9.57417786 1.94414726 0.41871053 0.60511750 -0.91443931 Pt 7.67144980 7.66426647 0.01526183 0.66378414 0.67083523 -0.58092857 Pt 9.53790339 9.58307616 0.02513993 -1.29767521 -1.33190593 1.32554938 Pt 9.58374842 7.66403370 1.91524908 0.29222300 0.55114687 -0.64076417 Pt 7.66419895 9.54872348 1.87819742 0.62949544 0.49628369 -0.55233011 Pt 0.00445801 0.02875832 3.85762254 0.53466099 0.58989166 -0.15862312 Pt 1.89197153 1.89282045 3.86103982 -0.71293125 -0.19952969 -0.59717498 Pt 1.89365715 0.03802199 5.73794184 -0.52384410 -1.26838425 0.04168118 Pt 0.00123511 1.88169684 5.79675676 -0.79468146 -0.15974456 -0.30033451 Pt 3.79052136 0.02526749 3.80786009 0.23694716 -0.64859459 0.04672706 Pt 5.70764327 1.93114527 3.85345461 0.24469335 -1.04393423 -0.19632692 Pt 5.77440490 0.00523483 5.71169813 -0.19456281 -0.44126580 0.22055585 Pt 3.79068715 1.90626652 5.77257169 0.60676932 -0.45453991 -0.35593463 Pt 7.68750951 0.01401322 3.84639925 0.14479243 -0.44700419 -0.23109761 Pt 9.59995132 1.86211686 3.80111942 0.29104547 0.04276794 0.10554291 Pt 9.54016155 0.02176045 5.70558616 -0.39076499 0.47375658 0.23787994 Pt 7.66466873 1.93831551 5.73205789 0.55665486 -0.90110778 0.26659130 Pt 0.02319281 3.84559440 3.79387416 -0.60085165 -0.39301760 0.34788914 Pt 1.90014730 5.75069714 3.81573027 -0.21980711 -0.09635537 0.23199126 Pt 1.93410119 3.80948273 5.76415637 -0.81561760 0.42835979 -0.21975344 Pt 0.02847340 5.73259098 5.71064122 -0.85725693 -0.13094219 0.22511286 Pt 3.80088573 3.79834439 3.79503455 -0.00586223 0.25486688 0.50200539 Pt 5.70915450 5.69895641 3.83065351 0.30630168 0.38571206 -0.25196633 Pt 5.71857974 3.81385705 5.71699779 -0.02713399 0.11680746 0.57666086 Pt 3.83182156 5.75495526 5.70664195 -0.50861386 -0.25604295 0.29051038 Pt 7.64450722 3.80722277 3.86282532 0.82627664 0.12820487 -0.64777859 Pt 9.58128347 5.71623704 3.82826022 0.41004791 0.29256626 -0.05673738 Pt 9.52928614 3.86154075 5.75230322 1.00116477 -0.28650714 -0.00154279 Pt 7.65320403 5.73604028 5.71103628 0.39194881 0.25082197 0.33851808 Pt 0.00750151 7.67463111 3.83549025 -0.80015012 0.47074685 -0.09535613 Pt 1.89254236 9.53554334 3.80064124 -0.64384101 1.04184950 0.42157265 Pt 1.87574254 7.63611515 5.71704605 -0.25807616 0.95697066 0.25869211 Pt 0.00009754 9.60006622 5.73666500 0.83934820 -0.87612173 0.06617963 Pt 3.80786406 7.68763810 3.79673410 0.37816877 0.20710804 0.42464661 Pt 5.75056002 9.55999367 3.84026963 -0.04714010 0.64265946 -0.13858392 Pt 5.70234459 7.64066995 5.72190908 0.38286923 0.82101284 0.25649665 Pt 3.81587848 9.56800683 5.73394116 0.08272741 0.49459417 0.00452566 Pt 7.62905700 7.66764881 3.81900661 0.93138691 0.32144894 0.15395520 Pt 9.59775668 9.52601958 3.78973627 -0.66083548 -0.52215362 0.03477525 Pt 9.60121925 7.67811286 5.69951961 0.18509161 0.43234105 0.09426729 Pt 7.68518574 9.56021639 5.70767979 0.42835266 0.31878075 0.25554537 Pt 0.00531829 0.01130784 7.68177654 0.82889592 0.84089713 0.59267367 Pt 1.90685146 1.88379970 7.62970028 -0.77232219 -0.41479113 1.57506307 Pt 1.94472460 0.01812949 9.56544061 -0.49414136 0.97205662 -0.92083293 Pt 0.01023893 1.93144353 9.59451048 1.07609584 -0.47755725 -1.12834427 Pt 3.82583702 0.00465080 7.63249230 0.23720811 -0.46127330 0.87665241 Pt 5.72179427 1.92916553 7.63685592 0.09575728 -0.81000981 0.91750716 Pt 5.74888199 0.02219985 9.57607903 -0.03240046 0.91343755 -0.91662180 Pt 3.79471872 1.94180123 9.59372805 0.30606811 -0.83558681 0.16936953 Pt 7.67440583 0.02990294 7.66854306 0.69645031 -0.11259799 0.97126788 Pt 9.58290374 1.91134164 7.65171982 0.15878297 -0.83309848 1.08981854 Pt 9.58442331 0.00574350 9.58903513 -1.73044159 1.70920541 -1.77904487 Pt 7.61344428 1.93937879 9.59154610 1.02290260 -1.01456076 0.13424230 Pt 0.01151891 3.84081494 7.66691246 -0.48432183 -0.19312940 0.49349488 Pt 1.87905258 5.77784695 7.68000523 -0.23782842 -0.58431547 -0.19043219 Pt 1.91590498 3.81879495 9.55205141 -0.82209778 -0.14233646 0.67226923 Pt 0.03239576 5.76191024 9.53964919 0.16838079 -0.10039739 -0.21108810 Pt 3.79896321 3.84346987 7.68647224 0.22110222 -0.19358705 0.04257661 Pt 5.72105946 5.71601100 7.61912734 0.39779264 0.21218812 0.59668090 Pt 5.75505175 3.85923634 9.56452325 -0.15537597 -0.25905643 0.59918287 Pt 3.81529278 5.71792674 9.54264496 0.13452617 0.17246711 0.93368742 Pt 7.68675317 3.79190330 7.68860755 0.40195724 0.41866112 0.34419229 Pt 9.57367720 5.78605733 7.63143288 0.31603830 -0.08408591 0.73433303 Pt 9.59132380 3.87670171 9.57161131 -0.87500755 -0.08585349 -0.88528903 Pt 7.65219224 5.71744045 9.55255554 0.73188604 0.32506418 0.27352843 Pt 0.00420271 7.66751484 7.67006336 -0.54008833 1.02958205 0.45566215 Pt 1.95026843 9.54710333 7.62946043 -0.98264779 0.51017732 0.79367657 Pt 1.92306998 7.62090983 9.53526024 -0.66584735 1.32806471 0.90339338 Pt 0.02130669 9.53424880 9.53671554 1.36353200 -1.40621209 -1.42166488 Pt 3.79264909 7.65035181 7.65208867 0.54806896 0.70531633 0.36805768 Pt 5.73533350 9.58399065 7.67432243 0.14386667 0.06457770 0.45629991 Pt 5.70075652 7.62189972 9.53796761 0.33563720 0.79070178 0.25594849 Pt 3.88120587 9.59595736 9.55511234 -0.04184450 -0.84674899 -0.80934635 Pt 7.66324701 7.65902100 7.61782958 0.51447130 0.80699910 0.98014214 Pt 9.57770850 9.55106930 7.68121081 -1.10817394 -1.05897441 0.50796154 Pt 9.58939824 7.63650381 9.56201069 -1.20079124 0.52348045 -1.14521526 Pt 7.68622332 9.60220195 9.54222669 0.41106303 -1.31213976 -1.26162542