108 Lattice="7.829641122988168 0.0 0.0 0.0 7.829641122988168 0.0 0.0 0.0 7.829641122988168" Properties=species:S:1:pos:R:3:forces:R:3 energy=-254.4815592733411 stress="-2.3074493188895175 -0.014863923170470101 -0.01389058223113414 -0.014863923170470101 -2.278629804849039 -0.002525447793718476 -0.01389058223113414 -0.002525447793718476 -2.2856877449346973" free_energy=-254.4815592733411 pbc="F F F" C 0.01767213 0.01447742 0.01782813 6.98882825 6.97073886 7.70098225 C 1.31642254 1.29065423 0.02121175 -7.32132284 -10.58192077 -15.54477291 C 1.30547478 0.01212482 1.28300809 -8.55122753 -16.75571048 -10.98312451 C 0.02370484 1.32997707 1.27971752 -15.73404155 -7.58307775 -9.51376758 C 2.60134772 0.01784761 0.02053605 -0.72678163 0.71025399 0.70834860 C 3.94339497 1.29768674 0.02066656 0.14363541 -13.48355173 -16.40858554 C 3.91867129 0.01581597 1.31661468 -1.00755890 -15.75112004 -8.19305274 C 2.60151448 1.32779446 1.32435411 4.96754650 -9.08575516 -9.63095733 C 5.21181053 0.02483162 0.00646368 6.96328631 4.04145500 2.85153757 C 6.51333005 1.31436725 0.01582265 -2.43637358 -8.29808480 6.26919242 C 6.52607359 0.00879768 1.29938560 -6.25838008 6.08215870 -7.90668501 C 5.20757664 1.30948852 1.30288053 11.03974364 -11.45398751 -5.20437376 C 0.03450469 2.61064497 0.02027474 -1.29638347 0.60314934 -0.91501736 C 1.32532321 3.90878333 0.02092120 -8.74007481 -0.35631479 -16.36165767 C 1.30678475 2.60976523 1.32099354 -9.25019595 1.99137810 -7.02455618 C 0.02371328 3.90869104 1.31926488 -17.11472233 0.33939060 -7.94567922 C 2.63245159 2.61231590 0.01237867 -2.45959195 0.10133051 -22.96934742 C 3.90391748 3.88539405 0.02054082 -0.28358367 3.31610978 -21.92434106 C 3.91974478 2.61902901 1.28338400 -0.61496171 -5.55965553 -6.06348066 C 2.63606768 3.88730330 1.28963764 -3.95429498 1.82763024 -5.16055575 C 5.19937753 2.62477482 0.02230072 12.79365735 2.35764312 -20.12112085 C 6.50200159 3.89074652 0.00922054 -1.46533031 -0.62318464 1.27369481 C 6.52617232 2.58853628 1.28632668 15.81560745 -1.63877907 -11.50173679 C 5.21537955 3.89583534 1.31548387 13.29867488 3.94917779 -10.07853263 C 0.01517141 5.20651982 0.01775832 3.74004197 9.65135292 4.23798735 C 1.28609816 6.50790058 0.01526131 -9.93289037 -5.27553192 4.19808208 C 1.32050768 5.21415510 1.30955022 -7.57045451 10.30747392 -8.81560286 C 0.00219921 6.50631833 1.29621508 4.72078661 -6.37708146 -9.40124051 C 2.57193892 5.22751622 0.02268153 -1.27747488 11.71500470 -14.27884506 C 3.94182047 6.52281954 0.01034418 4.26002578 -1.99367423 3.71494634 C 3.90120433 5.20899230 1.30264408 1.15752434 12.70837734 -9.09460045 C 2.62768115 6.52795107 1.32252325 2.85946389 14.22049540 -7.10700651 C 5.22957506 5.22299247 0.02502146 9.17225012 12.00228959 -8.78860705 C 6.54630792 6.51857264 0.02126302 -9.77513602 -9.73408377 10.22912711 C 6.53834655 5.21416739 1.32336173 10.43982451 10.84113226 -8.86307252 C 5.20811066 6.50600938 1.28879812 6.39519665 8.59035340 -10.94738715 C 0.01550390 0.02122497 2.62015796 3.01336775 3.41272531 5.04779750 C 1.32511081 1.30110459 2.58938623 -11.73026123 -8.87271653 7.50407507 C 1.31142207 0.00089929 3.91137042 -11.61714392 -12.09150452 -0.59809386 C 0.01159661 1.30701981 3.92399980 -9.78645063 -10.25511091 -0.49616284 C 2.58872787 0.02539088 2.58024015 -0.35998784 -17.96473641 0.86223146 C 3.93782802 1.29786882 2.63243649 -0.62102186 -5.99873290 0.75524691 C 3.90609686 0.00351920 3.88416971 -0.94891827 -18.32894802 -0.05139854 C 2.63420238 1.28258431 3.93588811 -2.70482373 -11.18707226 -3.29794035 C 5.22130966 0.01446014 2.59070665 10.34756959 -16.02178270 -3.38247383 C 6.54330049 1.32439915 2.64064636 14.79386260 -7.39173006 0.65611161 C 6.51921277 0.04549468 3.91660628 3.24795304 -0.48839408 0.53298059 C 5.23066043 1.27954669 3.89188974 5.66387430 -2.83946204 2.12875554 C 0.01129287 2.61323157 2.59524571 -17.17026905 -1.56751942 2.08233752 C 1.28415890 3.92372622 2.59913354 -6.42378411 -2.11128628 3.70581610 C 1.31923749 2.59538323 3.93757327 -11.06510642 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3.88135612 6.54464724 2.62295610 0.41883623 12.59256203 0.17520659 C 3.88583059 5.20669591 3.91838415 0.15294251 8.73862771 -7.03552974 C 2.62253268 6.50383451 3.95830899 0.38512484 18.85692029 -1.26395789 C 5.23275434 5.20191420 2.60113359 7.42801925 15.44502847 -1.04295420 C 6.53646385 6.52692921 2.60318771 -2.07691497 -5.10136393 0.63477677 C 6.51367347 5.23168421 3.87592565 11.68147803 12.08551613 -0.09488874 C 5.19703735 6.50135533 3.91064323 7.94319424 10.80586319 -1.88430184 C 0.00481239 0.00408925 5.23921198 5.78361885 8.34801703 9.43950676 C 1.31530344 1.29768420 5.21713220 -11.84753043 -9.74835821 9.02425120 C 1.29606026 0.01930525 6.53802840 -10.77809902 8.07312003 -4.99244741 C 0.00093856 1.28200917 6.53602971 9.15101823 -12.47856365 -6.70807165 C 2.62197472 0.01124338 5.21601891 0.45155320 -13.65238320 9.03574814 C 3.90892528 1.28324200 5.23961651 3.53324812 -12.36767825 11.12389947 C 3.93556840 0.00679722 6.54240938 1.42551929 4.03207938 -1.33020473 C 2.59126919 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