108 Lattice="19.257584674107427 0.0 0.0 0.0 19.257584674107427 0.0 0.0 0.0 19.257584674107427" Properties=species:S:1:pos:R:3:forces:R:3 energy=-101.79078169907662 stress="-0.0002833460262529759 -1.4580344494077364e-05 -1.3878951627834105e-06 -1.4580344494077364e-05 -0.00028937015466495153 1.8505434094744915e-05 -1.3878951627834105e-06 1.8505434094744915e-05 -0.0002725447012232104" free_energy=-101.79078169907662 pbc="F F F" Sr 0.03577350 0.00147887 0.04826449 -0.07652149 -0.06087686 -0.08716966 Sr 3.22579173 3.23326456 0.03179905 0.12146130 0.08415969 -0.17361634 Sr 3.22558394 0.05907406 3.15570026 0.16204460 -0.17199604 0.20900107 Sr 0.01162288 3.14984520 3.26365430 -0.14340617 0.19938371 0.08084977 Sr 6.48631317 0.03417324 0.03378770 -0.05015360 -0.09482211 -0.13713220 Sr 9.58295116 3.26229823 0.06064129 0.06749352 0.14875617 -0.11623732 Sr 9.58356850 0.05271817 3.15056243 0.03605629 -0.11231311 0.26948596 Sr 6.40992490 3.22767839 3.26120526 0.05583964 0.20722860 0.21860553 Sr 12.87154657 0.00023160 0.04475101 -0.13735489 -0.08168968 -0.12261337 Sr 16.02330235 3.24456143 0.04586962 0.12981039 0.06802482 -0.12581971 Sr 15.98700706 0.03718941 3.24891012 0.16844670 -0.13759540 0.07335298 Sr 12.85249045 3.22420310 3.25948480 -0.23295181 0.14617436 0.11359874 Sr 0.05768787 6.38878797 0.01736737 -0.10838349 0.03209363 -0.05099574 Sr 3.18908820 9.65316602 0.01919702 0.17091349 -0.04979459 -0.10787927 Sr 3.25416378 6.39258754 3.20266748 0.13416124 0.04587464 0.21032930 Sr 0.01270666 9.67542942 3.26417956 -0.12756078 -0.09322421 0.06665782 Sr 6.39627876 6.37666206 0.01543180 0.04636792 0.06506919 -0.09195114 Sr 9.57144695 9.67522968 0.01072749 0.08267823 -0.06961105 -0.10440271 Sr 9.68681414 6.49614439 3.25507105 -0.05647921 -0.04785256 0.14507730 Sr 6.48143999 9.58482533 3.14801601 -0.07999939 0.05040879 0.25514684 Sr 12.86513635 6.42346612 0.04628201 -0.19067774 0.07639462 -0.12953679 Sr 16.11038660 9.67900548 0.03722892 0.06529898 -0.04529653 -0.11132452 Sr 16.00726315 6.44397570 3.17270722 0.16255006 0.02553873 0.19981216 Sr 12.86229399 9.68607560 3.25852008 -0.20720598 -0.08442061 0.11288701 Sr 0.03866089 12.83984626 0.02331856 -0.17391010 -0.10019594 -0.12443246 Sr 3.15161170 16.00835652 0.04368587 0.16861779 0.14316638 -0.11150876 Sr 3.16437935 12.82469709 3.19053604 0.29610514 -0.18721629 0.21814536 Sr 0.04010283 16.05701633 3.27207918 -0.16594873 0.10977575 0.07708360 Sr 6.44160539 12.85394841 0.00223809 -0.03619341 -0.12069868 -0.09658599 Sr 9.57540696 16.07722534 0.03037319 0.03422091 0.06963144 -0.08691877 Sr 9.64019923 12.81581846 3.22918434 -0.03359127 -0.14981572 0.15734936 Sr 6.46732857 15.98857445 3.26585855 -0.05706595 0.12770984 0.08670960 Sr 12.88241143 12.84962144 0.04289289 -0.18514135 -0.13941910 -0.14965039 Sr 16.00612178 16.04223702 0.03038107 0.06858636 0.06607665 -0.03978637 Sr 16.10761955 12.78077165 3.22038644 0.13229395 -0.02513330 0.12314749 Sr 12.79544585 16.01325023 3.24247735 -0.08821104 0.13195275 0.11908209 Sr 0.02041194 0.04972284 6.42497241 -0.09124165 -0.12350583 0.02712087 Sr 3.20184927 3.22901356 6.49069810 0.20037063 0.24215157 -0.02713422 Sr 3.22292850 0.03316194 9.58168256 0.07384320 -0.15553394 0.03315668 Sr 0.00056655 3.24533421 9.66024122 -0.13161779 0.12783777 -0.06766904 Sr 6.37761295 0.05635702 6.49217266 0.09048210 -0.10839996 -0.07953093 Sr 9.65378171 3.26029238 6.47680867 -0.07599683 0.12347721 -0.05917067 Sr 9.64462468 0.03052854 9.65540693 -0.01413914 -0.13601810 -0.05612653 Sr 6.41290865 3.18070594 9.62656612 0.02179387 0.34534246 -0.03369364 Sr 12.86940957 0.02117049 6.40542392 -0.22300227 -0.14248021 0.02738179 Sr 16.05871344 3.18062229 6.43453137 0.15248944 0.18840643 -0.00526754 Sr 16.10322748 0.00445985 9.57401703 0.07058489 -0.07593544 0.03717204 Sr 12.81636255 3.18265563 9.58265986 -0.13712104 0.19630170 0.06605643 Sr 0.03080804 6.41497375 6.36891056 -0.08746767 0.03192560 0.06050152 Sr 3.25378695 9.58673923 6.35887376 0.18389398 0.05285412 0.05529142 Sr 3.17435164 6.52233113 9.65570731 0.27071152 -0.05682010 -0.07345904 Sr 0.01524733 9.64965366 9.66010879 -0.10544657 -0.06439513 -0.08976709 Sr 6.46918170 6.46569662 6.44275937 -0.03615400 -0.05201555 0.02797609 Sr 9.57281164 9.66407903 6.41376889 0.05982809 -0.05345431 0.03113447 Sr 9.68124837 6.48684114 9.57636099 -0.08575281 -0.03704772 0.06465891 Sr 6.39568756 9.68949781 9.56838615 0.02147736 -0.07316991 0.07628187 Sr 12.88735024 6.36428636 6.36813454 -0.19451139 0.15958094 0.09434740 Sr 16.08565987 9.69067604 6.40263695 0.05973050 -0.10487769 0.09231453 Sr 16.00272909 6.36884895 9.63029455 0.07671830 0.08635191 -0.07482132 Sr 12.80873813 9.63264161 9.65126219 -0.11950077 -0.05199801 -0.10277639 Sr 0.00371862 12.79042646 6.42885059 -0.11886147 -0.11957592 0.04084043 Sr 3.17128226 15.98501468 6.38785555 0.22348322 0.12329568 0.05487071 Sr 3.16556006 12.85571419 9.65282066 0.26334874 -0.17975966 -0.07148945 Sr 0.04657484 16.07915038 9.57175097 -0.10120057 0.08321875 0.03635302 Sr 6.45484108 12.87891560 6.43193588 -0.06296834 -0.24478110 -0.00897352 Sr 9.61776135 16.09763567 6.42760750 0.04780126 0.07028507 0.01260361 Sr 9.66887388 12.86136511 9.57278919 -0.01737321 -0.17031057 0.06026737 Sr 6.50036273 16.06437106 9.61146644 -0.07883264 0.06689551 0.00038408 Sr 12.81949097 12.78318719 6.39688368 -0.13565196 -0.09746760 0.07417027 Sr 16.05171102 16.01975131 6.39597191 0.07979653 0.05861007 0.01017647 Sr 16.05258589 12.82851358 9.68346544 0.09586400 -0.13534386 -0.06440448 Sr 12.88740279 16.04348498 9.61165406 -0.18809294 0.08348956 0.00895610 Sr 0.02397545 0.00585873 12.80471766 -0.10143569 -0.11938792 -0.08932934 Sr 3.18165259 3.21701482 12.77580065 0.21467231 0.15222411 -0.12661284 Sr 3.25000423 0.02002558 16.02454545 0.08350162 -0.09689911 0.10600935 Sr 0.02231439 3.19458280 16.03345692 -0.12436112 0.07487734 0.10920961 Sr 6.36246033 0.04409096 12.79930158 0.04160600 -0.14461546 -0.07998190 Sr 9.54517164 3.16429723 12.78355647 0.05935847 0.28275540 -0.13991665 Sr 9.69088464 0.03327423 16.00780404 -0.06319684 -0.09083957 0.07809193 Sr 6.42007763 3.25858870 16.08038581 0.02946469 0.07114402 0.09671549 Sr 12.89467562 0.01166610 12.83058354 -0.09083759 -0.10802359 -0.13569777 Sr 16.10518594 3.27774720 12.81751127 0.12728262 0.00873577 -0.14247250 Sr 16.11021310 0.04819573 16.07704443 0.02868422 -0.01950703 0.03289445 Sr 12.81923879 3.25514612 15.98637309 -0.10033111 0.06170125 0.15242242 Sr 0.03912954 6.38196272 12.83002926 -0.16946233 0.06638611 -0.10024143 Sr 3.15673003 9.63626343 12.86506624 0.30667256 -0.02867217 -0.17845842 Sr 3.18397983 6.35557093 16.02283927 0.14167865 0.07700934 0.14049155 Sr 0.06066017 9.66813767 16.03028012 -0.12117436 -0.04903642 0.11586607 Sr 6.37085968 6.38799654 12.88661765 0.08977033 0.08651058 -0.30912885 Sr 9.62901978 9.63710634 12.77913460 -0.04885004 -0.03914233 -0.12455462 Sr 9.65641631 6.42311470 16.05872198 -0.03614949 0.00496590 0.03381510 Sr 6.46953781 9.59470894 16.03910045 -0.01140667 0.00326816 0.05813159 Sr 12.86365179 6.35553111 12.86262799 -0.26666234 0.08414100 -0.22707736 Sr 16.01780666 9.58266621 12.81677484 0.11113839 -0.00768341 -0.07434429 Sr 16.07501295 6.36958074 16.01561881 0.07945125 0.06978535 0.12624733 Sr 12.77688173 9.64721767 16.09334661 -0.05462920 -0.05341306 0.07561908 Sr 0.02525424 12.79116755 12.80329311 -0.15379282 0.00328425 -0.06369430 Sr 3.25009001 16.06819008 12.87159484 0.07213998 0.11201080 -0.18122576 Sr 3.26515097 12.81517804 16.08425892 0.09294703 -0.12357377 0.11356311 Sr 0.04797004 16.05634989 16.09161329 -0.04086005 0.01683640 0.02623660 Sr 6.42124170 12.82350754 12.80007259 0.03975867 -0.19684757 -0.16014925 Sr 9.59251839 16.05965193 12.89795770 0.05428324 0.06847318 -0.18379620 Sr 9.65371209 12.87314060 16.11111076 -0.06171834 -0.15992781 0.06430989 Sr 6.36550594 15.99396323 16.01333988 0.05040711 0.11436972 0.13582637 Sr 12.87263813 12.79204691 12.87749182 -0.21549189 -0.06411420 -0.18247761 Sr 16.10369398 16.10556953 12.77901001 0.06122838 0.08297828 -0.04278548 Sr 16.04591494 12.90185743 16.06719483 0.10309143 -0.13100179 0.07221579 Sr 12.82852010 16.06801275 16.08922828 -0.06625179 0.10864655 0.05778618