108 Lattice="3.7500014305114746 0.0 0.0 0.0 3.7500014305114746 0.0 0.0 0.0 3.7500014305114746" Properties=species:S:1:pos:R:3:forces:R:3 energy=538.5073945418994 stress="-129.68724166739025 -0.4761424993935341 0.30119796956665207 -0.4761424993935341 -127.81796444729018 0.30872048870522234 0.30119796956665207 0.30872048870522234 -129.96996085402063" free_energy=538.5073945418994 pbc="F F F" user01 0.00623702 0.00816501 0.00507143 -65.46081646 -89.51852805 -74.69147765 user01 0.61027886 0.63399430 0.02038283 97.44105527 -14.82335703 -162.10299959 user01 0.64119816 0.02254864 0.63970889 0.19878323 -196.75490178 -41.02715592 user01 0.01204091 0.60191586 0.62900674 -176.65948115 60.32325295 34.50282350 user01 1.27478190 0.00396429 0.01859618 -107.42095607 -126.79594058 -144.08556572 user01 1.86427411 0.60030147 0.02272828 56.19616169 98.14544736 -198.04427290 user01 1.86953600 0.00507605 0.60495843 26.04722390 -198.59315782 93.23613915 user01 1.25677786 0.62023232 0.64540770 -29.59213575 46.02159783 -91.98229597 user01 2.53046023 0.00112010 0.00120121 -39.13782691 -115.87399359 -99.74326750 user01 3.13425432 0.60177960 0.02023071 112.45832763 40.37919020 -81.44914102 user01 3.10055552 0.00567742 0.66761613 131.93861590 -155.98229702 -45.09115116 user01 2.48458537 0.61495631 0.63019094 32.50517177 81.79551114 -33.23055562 user01 0.00670905 1.23528710 0.00108996 -111.85516441 41.09395196 -71.50005934 user01 0.62083045 1.88254457 0.01718644 33.26414872 -47.93017351 -115.13918401 user01 0.62476677 1.23564159 0.64353209 33.94543106 47.61282011 -94.33207155 user01 0.00473282 1.88292620 0.65107938 -173.04777486 -22.95396662 -91.59746681 user01 1.27288665 1.26326501 0.00002151 -70.64642676 -32.96641031 -114.38951487 user01 1.89707097 1.85105910 0.01654776 -23.82381107 104.03711113 -162.08239277 user01 1.87069789 1.24117470 0.62086893 14.28690207 17.46793265 51.35807944 user01 1.27369209 1.89168701 0.63489301 -101.16510914 -33.77585474 -26.88350508 user01 2.51129040 1.24903203 0.00241409 -14.51902223 -100.58564837 -155.65777483 user01 3.10500070 1.87146409 0.00473494 147.99334790 22.05031734 -156.20860192 user01 3.13496033 1.26555712 0.61922639 135.96200051 -62.20616293 26.91472825 user01 2.51054946 1.85012392 0.60059054 -41.77556346 98.37424677 138.59145835 user01 0.02467745 2.50434780 0.01650838 -186.60523033 -46.42158762 -171.56125753 user01 0.60166625 3.12762747 0.01672780 76.64482575 140.91712807 -180.90084832 user01 0.60017334 2.51106581 0.61761118 124.68810650 -52.70353729 82.46599840 user01 0.01729047 3.12160534 0.60434159 -174.75880534 145.49337418 105.40579036 user01 1.25011432 2.51568550 0.01698786 4.27896564 -31.87878385 -146.06077250 user01 1.88384280 3.12886745 0.02137134 -61.03606034 108.19873349 -148.13432860 user01 1.86946720 2.51450245 0.63948191 16.47400313 -24.58207754 -56.84599342 user01 1.22219781 3.13269236 0.62290606 69.60323657 141.14837099 -6.41255809 user01 2.52075162 2.52407201 0.00300916 -50.00210230 -55.20120150 -146.27747759 user01 3.14643203 3.12920198 0.02361326 77.68669119 92.34588792 -76.48696805 user01 3.13763028 2.49948388 0.61004941 102.16491431 5.67132989 69.46512869 user01 2.47947844 3.12763278 0.60113309 76.07280249 151.14140780 110.32485136 user01 0.01783679 0.00527055 1.25248642 -86.46263494 -112.65555741 33.67800207 user01 0.64882750 0.62558676 1.24561507 -116.03452262 12.53108647 86.21782330 user01 0.64968358 0.00507546 1.90634754 -57.25815908 -168.17373535 -70.75440989 user01 0.02204684 0.61701041 1.88510364 -137.38746128 47.08498782 -66.60697378 user01 1.24171217 0.02246958 1.26982438 56.73791428 -216.93701469 -22.09202332 user01 1.85091310 0.63728689 1.23552465 65.29866184 -17.16651052 53.87295870 user01 1.89268397 0.01304239 1.88108952 -73.35696225 -133.06238918 -30.96211106 user01 1.24773131 0.61604723 1.87399389 35.94203804 63.14738585 21.39803330 user01 2.46321880 0.02377117 1.23706991 28.77376327 -158.19752554 76.35732963 user01 3.11538127 0.62030265 1.23772064 137.74453175 40.58213190 48.26073124 user01 3.14904248 0.00707186 1.89210833 59.64135399 -73.15786358 -25.91139856 user01 2.50420329 0.64190463 1.88075305 7.49679173 -69.19257464 -28.23489028 user01 0.01838190 1.26550415 1.23920120 -170.90420358 -112.49945475 44.73174418 user01 0.61186823 1.86456480 1.23642280 116.17481297 64.82376675 21.11447590 user01 0.62833740 1.28231954 1.89672901 24.95109619 -60.58487390 -105.62606884 user01 0.00187601 1.86811874 1.85219236 -157.94753701 7.31419333 39.67351647 user01 1.22325105 1.23997469 1.26287854 78.60756981 73.96787490 -8.04232951 user01 1.85697988 1.89354585 1.23746157 64.00380858 -79.54428402 11.11572874 user01 1.88771268 1.23402938 1.85463875 -68.82344741 59.75642682 44.56541153 user01 1.25129272 1.89455042 1.85198293 -25.81445824 -18.26088634 63.24216901 user01 2.50694093 1.24776539 1.25666091 5.09461305 37.17635592 -39.69653011 user01 3.14548827 1.88824124 1.24460065 82.34991833 -21.95457415 4.19679992 user01 3.13497470 1.23295579 1.88747613 134.32301070 34.45681284 -64.33460401 user01 2.48406009 1.89789567 1.85879163 43.51245933 -83.45054992 22.28590616 user01 0.01642878 2.49089883 1.25839463 -172.31443986 75.83068797 -25.51368703 user01 0.65105556 3.13350334 1.24635990 -74.60106732 153.15072599 22.96019428 user01 0.60238954 2.50531185 1.86500373 88.88660051 -43.46050437 25.58791269 user01 0.01879337 3.14593142 1.86139130 -113.59479752 95.14275281 5.55558896 user01 1.23694583 2.52316435 1.25535781 -15.34705986 -72.08889586 -40.38328170 user01 1.86919843 3.10225431 1.27484759 -32.82241977 231.46384407 -77.37136324 user01 1.89044873 2.49623849 1.85610588 -82.52855286 -19.61595197 113.71981633 user01 1.25579082 3.10012387 1.88959794 -9.19333601 150.20094588 -54.66777073 user01 2.47708101 2.51651309 1.25063713 131.31910491 -81.31976474 -106.02987275 user01 3.11017714 3.13699156 1.26820699 113.85405676 74.98098683 -61.15364386 user01 3.12555374 2.48074680 1.87538141 124.71480782 41.54926096 20.06983077 user01 2.50311039 3.10755726 1.85218911 7.48411342 165.27811879 128.85667305 user01 0.02233654 0.02373544 2.50168890 -138.14173029 -132.64058311 -7.10387728 user01 0.63859612 0.64850346 2.47829684 -39.10771343 -47.08104688 73.14311686 user01 0.61342198 0.01422031 3.11401148 42.23409790 -91.83279584 126.31500584 user01 0.00880914 0.62697463 3.12086223 -121.92130223 24.06462331 93.06319073 user01 1.23619896 0.01515635 2.51307087 44.53301242 -167.25812017 -2.63248004 user01 1.85862004 0.61673364 2.50325660 65.36199781 64.93134003 -42.48723679 user01 1.87130106 0.01392204 3.11447237 25.29646581 -113.38878036 123.78937791 user01 1.26683766 0.64360741 3.10447725 -46.87928301 -28.63184762 215.18787708 user01 2.48186634 0.00622408 2.48003034 62.81959182 -121.18778396 54.15809543 user01 3.12537615 0.63438270 2.51564160 141.00013400 -14.48971222 -8.86659394 user01 3.11423317 0.00000267 3.11102055 47.68651163 -68.34928606 64.13268418 user01 2.50407041 0.65779412 3.11302367 -21.55238485 -48.47757502 143.28005602 user01 0.02433021 1.26130438 2.48552317 -228.40753831 -41.59468731 38.40213404 user01 0.61109008 1.85232471 2.52349170 82.87037609 81.04803981 -87.93164491 user01 0.61847261 1.23711827 3.12346469 14.93805787 15.76298616 172.55012240 user01 0.00490218 1.89032021 3.11710003 -119.40241715 -16.69970499 136.71968239 user01 1.23676410 1.23141351 2.50547227 76.08087209 110.25556853 -56.24892397 user01 1.85078577 1.86515028 2.48605186 33.57743180 26.23713255 -22.88368519 user01 1.88177768 1.27357879 3.10928970 -28.74422826 -16.92055259 138.34266656 user01 1.23070440 1.89882019 3.10614123 71.01717237 -97.65947196 180.64674607 user01 2.50653090 1.24739164 2.48595377 -51.80160133 43.62912650 21.18250675 user01 3.11243127 1.84935485 2.48922981 126.51967390 65.70019047 28.09198746 user01 3.13754980 1.26655196 3.13940598 79.93473541 5.92533869 90.84511226 user01 2.48553807 1.88575733 3.12838989 54.53920215 -41.52905994 107.10195147 user01 0.02206904 2.47519028 2.47961026 -155.60952556 73.64436214 18.69553337 user01 0.64933204 3.14259598 2.46838827 -80.71023847 131.66520414 59.07253894 user01 0.64721711 2.49753766 3.10493130 -126.83138396 59.84442871 185.20988375 user01 0.00347547 3.12183329 3.11289174 -40.23603101 42.21533155 36.80718483 user01 1.22779204 2.50739055 2.51998994 70.91911258 -44.34561271 -121.10198204 user01 1.84958575 3.10605154 2.48541158 61.73998615 145.07612677 37.56902444 user01 1.89586508 2.49155328 3.11461591 -86.54148635 35.53054203 146.42357887 user01 1.22688042 3.13684869 3.12595190 41.01228492 100.60785772 105.45477495 user01 2.49753369 2.50669203 2.51218623 24.91142792 -39.03218767 -87.67996511 user01 3.14494886 3.12515979 2.52248743 95.53913923 84.96562871 -63.91090843 user01 3.11278325 2.50929747 3.13569781 117.34206065 -52.94879781 96.05894161 user01 2.51022882 3.11787629 3.10004052 -48.85087667 153.17831189 128.17749673