108 Lattice="11.476779942078245 0.0 0.0 0.0 11.476779942078245 0.0 0.0 0.0 11.476779942078245" Properties=species:S:1:pos:R:3:forces:R:3 energy=-584.2226523066864 stress="-0.014541442310059405 -0.0006245009139603691 0.0002545956385653661 -0.0006245009139603691 -0.01434245504352616 0.00021828860975293501 0.0002545956385653661 0.00021828860975293501 -0.014346819531762096" free_energy=-584.2226523066864 pbc="F F F" Pt 0.00523663 0.00154165 0.00349502 1.47306754 1.50445778 1.46057628 Pt 1.90084258 1.88455322 0.00500236 -0.93376765 -0.62534140 -0.52141428 Pt 1.93518287 0.02292769 1.92382985 -1.12718126 -0.82819492 -0.71237435 Pt 0.02068004 1.89943643 1.91007924 -0.46514459 -0.58632275 -0.80843554 Pt 3.81358354 0.00002506 0.02089563 0.00844225 0.37928043 0.29334095 Pt 5.70694373 1.91280569 0.00710855 0.39313087 -0.73816140 -0.57512650 Pt 5.70361252 0.03355410 1.91279590 0.56003039 -0.80885979 -0.62975662 Pt 3.80007897 1.85169220 1.91114563 0.12961390 0.34314186 -0.44067263 Pt 7.68522824 0.00502127 0.01617479 0.29315001 1.01047547 0.94255351 Pt 9.55434050 1.91810562 0.02590402 -0.79691440 -0.50361203 0.68203558 Pt 9.52750678 0.02122118 1.93892934 -0.46243646 0.50698100 -0.59564993 Pt 7.66801760 1.89185613 1.94388910 0.37438474 -0.59738348 -1.10566067 Pt 0.00078362 3.83566889 0.03474685 0.70340197 -0.02816793 0.63616044 Pt 1.94949603 5.70141828 0.01193772 -0.69114404 0.27832314 -0.67231371 Pt 1.93168113 3.83209613 1.90216446 -0.83669195 -0.11626959 -0.32068097 Pt 0.03029330 5.79458360 1.87723890 -0.68625286 -0.43925030 -0.36894416 Pt 3.82282163 3.76581867 0.02318324 0.08675684 0.31532611 -0.65871377 Pt 5.75550258 5.73145241 0.03350007 -0.26688245 -0.12928060 -0.90108585 Pt 5.76684713 3.77951988 1.90800715 -0.40598636 0.37467366 -0.41624293 Pt 3.82539928 5.77478845 1.89024006 0.21921064 -0.57510954 -0.16001755 Pt 7.66066117 3.81099910 0.01381830 0.47627208 -0.18842781 -0.66533516 Pt 9.53677087 5.70242173 0.02319302 -0.40306419 0.12368858 0.40232600 Pt 9.56599533 3.79593731 1.90962578 0.56715324 0.26384297 -0.42612376 Pt 7.66408237 5.73024799 1.86602878 0.63503026 0.07214028 0.29711342 Pt 0.00666701 7.64816756 0.02223083 1.02220101 0.59289762 0.88329231 Pt 1.89887614 9.56680084 0.02987768 -0.47045597 -1.03410144 1.09290445 Pt 1.90614990 7.64117770 1.94346320 -0.47359961 1.28830521 -1.04328245 Pt 0.00270378 9.59110712 1.93632785 1.08562301 -1.10397547 -0.49046936 Pt 3.83055110 7.68594583 0.00364170 -0.16602732 0.52845315 -0.46609532 Pt 5.73413803 9.56792376 0.01814481 0.02555015 -0.56984980 0.60967923 Pt 5.72537078 7.63247604 1.90435113 0.28279032 0.88491367 -0.15833855 Pt 3.85570230 9.56984226 1.91609218 -0.25355892 0.32482606 -0.48226717 Pt 7.61958931 7.66834156 0.02183246 0.94726784 0.84425576 -0.47740040 Pt 9.59667195 9.53010305 0.02506510 -1.50944997 -1.48537104 1.53014787 Pt 9.56614005 7.65021877 1.88551276 0.20976781 0.81011275 -0.67234112 Pt 7.64476462 9.57255786 1.92825172 0.64477552 0.16344883 -0.75213507 Pt 0.02223843 0.02603036 3.78508888 0.50779792 0.51920310 0.15744477 Pt 1.88817049 1.93516687 3.86324916 -0.34944368 -0.68119188 -0.40443293 Pt 1.90457982 0.00675744 5.71918453 -0.57745261 -0.39794804 0.18993801 Pt 0.01136806 1.94604352 5.75501370 -0.64221008 -0.87421081 0.00925986 Pt 3.84671903 0.01516262 3.80563447 -0.26070490 -1.01650825 0.37123927 Pt 5.72260545 1.90943100 3.85168590 0.42063116 -0.43062454 -0.17774501 Pt 5.74315406 0.02577346 5.75954403 0.19269671 -0.80506871 -0.19254532 Pt 3.83033041 1.88704674 5.70866765 -0.14723643 -0.19790765 0.49099929 Pt 7.68786339 0.03167177 3.81661039 0.31178290 -0.59433377 0.41711657 Pt 9.59515087 1.93279856 3.81739450 0.52762213 -0.69991339 0.22430839 Pt 9.59098581 0.02272580 5.78015632 -0.69542167 0.61933526 -0.17445415 Pt 7.66625163 1.94236300 5.75079218 0.22460934 -0.96610332 -0.17437048 Pt 0.00950123 3.81152859 3.84047050 -0.51934104 0.24423191 -0.22458053 Pt 1.90773939 5.75538843 3.82398108 -0.08725271 -0.73184092 -0.02324383 Pt 1.94501258 3.80678341 5.77560822 -0.57587408 0.37330093 -0.76550704 Pt 0.03372461 5.74237956 5.70999724 -0.77756151 -0.18700373 0.30435109 Pt 3.84732655 3.80500310 3.79358695 -0.25349282 0.44464866 0.21762971 Pt 5.77064248 5.70562046 3.85647439 -0.29184838 0.25520208 -0.75621241 Pt 5.73865528 3.84678916 5.76190832 -0.19013678 -0.47933211 -0.22360113 Pt 3.85285677 5.76691315 5.76169191 -0.46676715 -0.77564989 -0.42999271 Pt 7.65384551 3.80281035 3.81628921 0.64441159 0.28798706 -0.07119587 Pt 9.60035551 5.75759665 3.84157019 0.20325990 -0.16394450 -0.27438510 Pt 9.52676119 3.79198105 5.74037036 1.03164460 0.35305378 0.02707057 Pt 7.65609885 5.71693830 5.70792852 0.86352982 0.40614493 0.40006589 Pt 0.02763845 7.63543378 3.87489703 -0.76720019 1.04238243 -0.27392466 Pt 1.89154656 9.59513179 3.79227916 -0.43277162 0.18522021 0.18013985 Pt 1.94707753 7.63217549 5.71274742 -0.82762316 1.17625704 0.49932248 Pt 0.02145947 9.56770077 5.75607164 0.88658459 -0.85672404 0.02916266 Pt 3.85108697 7.63187617 3.84857738 -0.08307110 0.78467896 -0.40508863 Pt 5.71013473 9.57345868 3.85897521 0.36715910 0.38887344 -0.18547140 Pt 5.71982838 7.61419241 5.77923515 1.01186211 1.15118253 -0.50481243 Pt 3.85184157 9.56938084 5.71523341 -0.36675088 0.63487584 0.14302732 Pt 7.65321045 7.66167160 3.83725690 0.37631721 0.44641343 -0.27864870 Pt 9.53850998 9.55396440 3.79923025 -0.46945029 -0.49894976 -0.02372846 Pt 9.56337819 7.65900737 5.69905295 0.39791347 0.45251472 0.30072374 Pt 7.68196129 9.59569112 5.71592739 0.27817104 0.09778083 0.16976715 Pt 0.02011854 0.00957161 7.67604431 0.86908066 0.84377147 0.33023014 Pt 1.89602109 1.92218181 7.68114803 -0.31539193 -1.08539384 0.34540723 Pt 1.91579214 0.01358958 9.55778668 -0.43771732 0.68658306 -0.80364950 Pt 0.02082606 1.90448500 9.53838676 0.62228358 -0.45751646 -0.64222160 Pt 3.85483084 0.02078389 7.63602031 -0.31850300 -0.61622883 0.66151024 Pt 5.71923937 1.91802021 7.67357244 0.19610366 -0.52605744 0.52129771 Pt 5.70841098 0.03511628 9.58302944 0.13576797 0.62772110 -0.69704536 Pt 3.79966825 1.87463260 9.58122551 0.05532587 -0.29791675 0.41533778 Pt 7.65445286 0.01747756 7.61502642 0.66076092 -0.48208046 1.08065029 Pt 9.53067506 1.87857638 7.64506344 0.61986193 -0.51888513 1.17329807 Pt 9.57103734 0.00599407 9.59249513 -1.62262496 1.64905827 -1.60876661 Pt 7.66637721 1.90216074 9.56013032 0.76993929 -0.70445326 0.23364177 Pt 0.02829787 3.83357935 7.63397344 -0.96433080 0.02812410 0.63355141 Pt 1.91417242 5.70477741 7.66779248 -0.45210415 0.81070307 0.42044217 Pt 1.89264020 3.84207400 9.55849845 -0.35628750 -0.24169166 0.81134156 Pt 0.02910482 5.71341305 9.54641529 0.46311648 0.20907586 -0.47418246 Pt 3.79915343 3.83416997 7.62970035 0.37589196 -0.38516266 0.80810272 Pt 5.75493555 5.73344794 7.66147716 -0.19434126 0.24962860 0.51585687 Pt 5.67756167 3.84742315 9.52949858 0.27904919 -0.44820719 0.98817542 Pt 3.82188836 5.70300427 9.57043511 -0.07502571 0.50195161 0.53512890 Pt 7.62066998 3.85560965 7.65579763 1.11641045 -0.47729066 0.85600549 Pt 9.57947223 5.70621963 7.63796823 0.21185189 0.19041497 0.73042830 Pt 9.56916058 3.83129731 9.56866066 -0.90958239 -0.01785022 -0.91554345 Pt 7.61376646 5.71584852 9.55149727 1.10861636 0.12318996 0.71224168 Pt 0.02664924 7.62305551 7.64996383 -0.20928036 0.95391961 0.66844650 Pt 1.92599607 9.54890696 7.68389690 -0.84992293 0.30313412 0.48487812 Pt 1.95033935 7.68395987 9.54671342 -0.83044971 0.55290223 0.34220464 Pt 0.03012652 9.56846681 9.56867784 1.57597726 -1.53081245 -1.55607414 Pt 3.86181164 7.65768987 7.61684049 -0.54976285 0.60812333 1.33253726 Pt 5.74149190 9.56538780 7.63574649 0.26726626 0.43514700 0.59259970 Pt 5.75606796 7.64616158 9.55697215 -0.07868523 0.64115096 0.46171800 Pt 3.87533770 9.53710546 9.56283284 -0.04702321 -0.55478794 -0.62874472 Pt 7.68586488 7.65135607 7.68353463 0.69283022 0.60513427 0.30977818 Pt 9.54421824 9.53449913 7.63569267 -0.74442735 -0.79182292 0.53285626 Pt 9.57546115 7.64737615 9.58845294 -1.15778413 0.35184644 -1.16579318 Pt 7.68098391 9.56241097 9.54539034 0.43966588 -0.99331902 -0.88252342