108 Lattice="11.338634000863719 0.0 0.0 0.0 11.338634000863719 0.0 0.0 0.0 11.338634000863719" Properties=species:S:1:pos:R:3:forces:R:3 energy=-798.7966617881008 stress="-0.10547199952950471 -0.009147294011018683 0.006070816966216382 -0.009147294011018683 -0.09535459098098242 0.006239470741591669 0.006070816966216382 0.006239470741591669 -0.09668996241075994" free_energy=-798.7966617881008 pbc="F F F" W 0.04372455 0.00993065 0.02623708 -0.45164103 -0.23575473 -0.76319027 W 1.88072545 1.91911263 0.03464973 0.98430428 -0.98682621 -3.42507123 W 1.92209753 0.01955782 1.85841968 -0.83246051 -2.72083022 2.42019908 W 0.03086780 1.87028680 1.88678265 -1.71551861 1.87536475 1.30379138 W 3.80347508 0.00610152 0.02501330 -1.01854797 -0.70103699 -2.31109868 W 5.67431075 1.86516961 0.03306775 -0.19347765 2.75501982 -1.77861476 W 5.64813914 0.00118819 1.86909611 0.58550741 -1.41509369 3.18327507 W 3.74703677 1.88940957 1.88269407 2.72840880 0.81708563 1.98118331 W 7.52934700 0.02525320 0.02444089 1.48252054 -1.10594926 -0.43438977 W 9.45651428 1.86367130 0.03384929 -0.17586072 1.79284280 -0.95093306 W 9.47327720 0.03056112 1.87222279 -0.41768627 -2.03933935 0.40696030 W 7.55845927 1.91540663 1.90033217 -1.67192242 -0.95689071 -1.00216466 W 0.01577111 3.75859783 0.01077064 -1.09053425 0.51631242 -0.83973068 W 1.88975030 5.69986455 0.01445251 1.18077323 -0.67430426 -3.45109591 W 1.91390329 3.82908658 1.86392570 -0.03521307 -2.72818953 2.35856319 W 0.03552145 5.64542256 1.85454450 -3.13404871 1.31168161 1.88419370 W 3.79874053 3.73181917 0.02311745 -0.49910025 1.30359620 -2.72784796 W 5.63425901 5.62036616 0.03703139 2.41252571 1.13291297 -2.91093374 W 5.64110137 3.79466817 1.91577921 1.73165578 -2.46439146 -0.18062127 W 3.76878723 5.67873595 1.86433766 -0.35061420 0.35311487 3.02555413 W 7.58407282 3.80565538 0.01456669 -1.74728763 -1.95384412 -1.15883635 W 9.41388526 5.65619741 0.03608234 2.65321929 1.24788174 -1.09371386 W 9.41218303 3.79976805 1.93173868 3.90423290 -2.00851397 -1.41390048 W 7.59145828 5.64864292 1.91823872 -2.43332395 1.73669109 0.83578681 W 0.01861622 7.55470199 0.00840656 -1.67993202 0.57513382 -0.89485265 W 1.88147936 9.44527148 0.02432583 0.98752058 0.74480438 -0.92450489 W 1.85827145 7.58346031 1.86803914 2.62387577 -1.28769798 2.60777767 W 0.03691881 9.48247662 1.92298772 -1.75480314 0.73158599 -0.74834000 W 3.80881100 7.53780610 0.00095894 -1.78092666 0.84859688 -1.87153103 W 5.65492443 9.41939012 0.01981205 0.55152875 1.23257408 -1.41567392 W 5.66412487 7.53606999 1.86217976 1.17646057 -0.87642925 2.65917205 W 3.81546706 9.42067192 1.91853835 -2.32706826 1.57614385 -1.44756969 W 7.57721580 7.55758418 0.03704474 -0.73654026 -0.44182343 -2.08539534 W 9.44866795 9.47446718 0.02241001 -0.86984350 -0.64837318 0.63363958 W 9.42697065 7.61013969 1.91331261 1.77335989 -1.24551461 0.64810911 W 7.52754037 9.43791411 1.88138777 0.57659437 1.88388199 0.72724212 W 0.00432806 0.03073427 3.76921982 0.34674837 -0.70052436 0.17749454 W 1.91972135 1.91959830 3.77809977 -2.25744633 0.21051615 -0.99513880 W 1.91911539 0.03098513 5.63499525 -1.19434089 -3.00781906 1.61889719 W 0.04713888 1.86656231 5.68365220 -1.37419508 2.00583181 -0.30675660 W 3.76417096 0.01143659 3.77630392 1.27190672 -1.54932349 -1.15565998 W 5.64853710 1.87577076 3.79203227 1.13346019 0.76975368 -0.80710904 W 5.70635358 0.02816334 5.68411201 -1.74855771 -2.26902812 -0.35763829 W 3.75523606 1.88464679 5.64940558 1.86547171 1.22905933 2.31366400 W 7.54905086 0.02422085 3.79741838 -0.32421777 -2.09483765 -1.23217818 W 9.41528622 1.85592184 3.74416829 3.37977489 1.36355384 2.09256841 W 9.43549654 0.01275769 5.69359796 0.62210866 -0.63149629 0.23288145 W 7.59180872 1.88023999 5.68812513 -2.37897852 0.31455495 -0.20396742 W 0.01736416 3.79119420 3.78325198 -1.10277784 -0.80813291 -0.31781165 W 1.87230428 5.67351193 3.77528554 1.45659750 0.99718496 -0.31465685 W 1.90526054 3.81508544 5.66521626 -0.73487480 -2.39621107 0.64833793 W 0.02387345 5.66723619 5.67752953 -1.11139273 -0.16477684 -0.53741297 W 3.80760460 3.76020407 3.79987953 -1.26847803 1.80917594 -0.56970736 W 5.68630269 5.64955709 3.75508466 -0.86314391 1.37192429 1.39673775 W 5.69741964 3.81013221 5.66589604 -1.09393151 -2.16826609 -0.14176813 W 3.75588952 5.64733258 5.67415203 1.86253839 2.43496273 -0.92968521 W 7.57662090 3.74595698 3.79082377 -3.26747149 1.26763086 0.30586204 W 9.47233195 5.63722462 3.81232408 0.54224545 1.96056253 -0.33590660 W 9.41384266 3.75720124 5.64167284 4.05962233 -0.03678869 0.87471000 W 7.55647620 5.65429602 5.66818111 1.22669220 2.05297410 -1.46151800 W 0.00097346 7.57503363 3.76752091 -0.84501028 -0.67630810 0.61132614 W 1.86785770 9.46460933 3.79531492 2.14075470 0.70440985 0.13880073 W 1.90848700 7.59651666 5.68492073 -0.69641132 -2.59554886 -1.41813481 W 0.00694504 9.47931501 5.66278232 -0.66467212 -0.31909738 0.30512426 W 3.77580394 7.55422549 3.77149061 0.18678014 -0.93038930 0.78449109 W 5.67177543 9.47060369 3.75556624 0.28085234 0.45167585 1.38696243 W 5.69920567 7.58920111 5.65525143 -2.78523452 -1.40126168 0.60433056 W 3.76022563 9.45080379 5.70022861 2.28791015 1.24025988 -1.58751638 W 7.53144143 7.55127652 3.77907009 1.08147350 0.26557380 -0.72831748 W 9.43845258 9.47466740 3.80627887 -0.21978693 0.51355867 -0.57915765 W 9.44291674 7.58102866 5.64731040 0.14331772 -0.48970212 0.79164076 W 7.52973848 9.45948459 5.65673071 1.07204043 1.39694116 0.80976078 W 0.04792904 0.02130233 7.56962585 -0.86846392 -0.97879389 -0.37793720 W 1.91771644 1.87628441 7.58543380 -0.67332410 2.28043851 -2.77495189 W 1.91385861 0.00525199 9.43058816 -0.13921840 -0.46197139 1.97654044 W 0.02098572 1.92252357 9.43494896 -1.04974914 -1.58381970 0.86104603 W 3.79106461 0.03061478 7.59220953 0.36917512 -3.02337217 -2.23396742 W 5.64419992 1.88825625 7.53498910 1.69124124 1.68007596 -0.19040102 W 5.69020032 0.02048782 9.44506687 -1.51998144 -0.67768841 1.11996521 W 3.78237809 1.92082596 9.41294372 -0.35158270 -0.88609209 3.50967364 W 7.53806139 0.00309709 7.58471851 0.58210348 -1.23180424 -2.06572417 W 9.45380246 1.92335818 7.57139259 1.70150222 -1.63903211 -0.67494640 W 9.41320746 0.01626897 9.41416892 0.19239119 0.42355556 0.35800881 W 7.52231968 1.89715253 9.41120476 1.49002827 1.35534301 1.48842823 W 0.01843355 3.77022601 7.56251174 -1.00127923 0.81855633 -1.42009637 W 1.92013360 5.68092466 7.57940264 -1.59681305 -2.04312045 -0.88588738 W 1.86786051 3.77361429 9.44029946 2.24887786 1.08739516 1.36953182 W 0.02563322 5.67848367 9.45671600 -0.86605035 -0.37396710 -0.06119703 W 3.80649302 3.78284220 7.53894300 -0.96569828 0.57012458 -0.09946242 W 5.69729568 5.69191586 7.52587032 -2.37832309 -1.56728259 1.11861782 W 5.63765307 3.74742013 9.46203476 1.37669577 1.90844585 0.46435717 W 3.78390223 5.67315630 9.45905133 0.32455826 -0.69700478 1.44350710 W 7.59485149 3.78063964 7.52405377 -3.90664655 -0.45354025 1.34371469 W 9.42660308 5.65002292 7.56741561 2.56853065 2.03253076 -2.21349364 W 9.43167203 3.79008395 9.41492330 1.49332284 -1.16746563 2.41538521 W 7.57866886 5.64135244 9.42371163 -2.23435799 0.82351895 2.08348095 W 0.01955577 7.52235851 7.52925375 -1.53714547 1.60230497 0.97770306 W 1.89729265 9.47558839 7.52142093 -0.75738720 1.04583412 2.41136668 W 1.86251168 7.56743782 9.43347559 1.56581744 -0.41807235 1.51792646 W 0.03499653 9.41532395 9.43181309 -0.52312727 0.42639112 -0.77673103 W 3.75376593 7.52340362 7.58887097 2.17534375 2.01411213 -1.53827231 W 5.64006543 9.46656606 7.58491815 0.33928004 0.68452795 -0.88249396 W 5.69502801 7.56709988 9.41858182 -1.41265126 -0.98148029 2.60351869 W 3.77274000 9.41369036 9.46994013 -0.41192274 0.14710435 0.05209652 W 7.52192596 7.53412028 7.57350414 3.34177911 1.37054714 -2.27606991 W 9.45817250 9.47541396 7.57911702 0.35021521 -0.51357422 -1.38186404 W 9.44944888 7.56119910 9.44187560 0.16414779 -0.91955688 -0.38748407 W 7.58632986 9.42218514 9.41430772 -1.24679844 1.28181772 1.16712576