108 Lattice="19.257584266579208 0.0 0.0 0.0 19.257584266579208 0.0 0.0 0.0 19.257584266579208" Properties=species:S:1:pos:R:3:forces:R:3 energy=-101.57818615474335 stress="-0.0003802265284588096 9.143114676327006e-05 5.604365870998562e-05 9.143114676327006e-05 -0.0003448007647726842 3.65753618442399e-06 5.604365870998562e-05 3.65753618442399e-06 -0.00039966420771014405" free_energy=-101.57818615474335 pbc="F F F" Sr 0.02175751 0.02235690 0.00809254 -0.07766634 -0.08136160 -0.08825540 Sr 3.18409231 3.22521503 0.00753652 0.17620648 0.15754544 -0.14918591 Sr 3.16308671 0.03324204 3.19294947 0.19219865 -0.13294792 0.17497588 Sr 0.00460414 3.20513800 3.15858498 -0.15448566 0.17562704 0.21064260 Sr 6.31944113 0.00063199 0.00528085 0.02144518 -0.10657162 -0.11727700 Sr 9.57131445 3.18235464 0.01675157 0.03156767 0.12762864 -0.18764575 Sr 9.53260642 0.03526860 3.17249404 0.05058781 -0.16299384 0.16110538 Sr 6.45662481 3.20838193 3.15366178 -0.11941237 0.20277285 0.25983117 Sr 12.89550700 0.04461278 0.04091044 -0.18044654 -0.13332173 -0.14803000 Sr 16.03101099 3.22097702 0.01088500 0.14040076 0.11402271 -0.13094499 Sr 15.99088576 0.04376538 3.16785602 0.16902123 -0.12967964 0.13511533 Sr 12.77621879 3.21341849 3.18357083 -0.14836514 0.16263255 0.20676375 Sr 0.04289752 6.39343008 0.04351064 -0.13685541 0.02600442 -0.11311595 Sr 3.15636781 9.56828325 0.03153654 0.17592816 0.02152046 -0.12819070 Sr 3.19015951 6.44176014 3.26417830 0.20788809 -0.06498740 0.12199109 Sr 0.00818175 9.63016988 3.21422198 -0.14773089 -0.03464368 0.13150252 Sr 6.44945072 6.42673380 0.04708046 -0.00742314 0.05023391 -0.08949344 Sr 9.68780498 9.68067736 0.05383386 -0.05525410 -0.06921477 -0.10672285 Sr 9.65917821 6.36345712 3.20134095 -0.05606818 0.14276237 0.20978068 Sr 6.36403029 9.66808163 3.17883931 0.08352831 -0.05577325 0.25186696 Sr 12.84214334 6.38402025 0.00239148 -0.16199806 0.04170652 -0.12678252 Sr 16.01348842 9.63930023 0.02960952 0.09866779 -0.03127199 -0.09746627 Sr 16.01523039 6.37506223 3.20580953 0.11759114 0.07893789 0.11736189 Sr 12.83841286 9.65938078 3.19059851 -0.13443933 -0.08543217 0.25417962 Sr 0.05671383 12.83832166 0.05791991 -0.15887984 -0.13882159 -0.16160965 Sr 3.17022730 16.00222250 0.03080494 0.16763756 0.14413181 -0.13751176 Sr 3.14973591 12.86626101 3.26008968 0.28077948 -0.23141393 0.14342411 Sr 0.04797872 16.01293819 3.17578024 -0.17619729 0.17025133 0.14915162 Sr 6.37193330 12.80254862 0.03735386 0.04136124 -0.07287569 -0.09849074 Sr 9.68786265 16.06662438 0.03197352 -0.07168002 0.05718563 -0.07263494 Sr 9.65007680 12.80087442 3.22449584 -0.10009030 -0.09804267 0.19472862 Sr 6.41885722 16.10319880 3.24792725 0.02325546 0.05775695 0.07330051 Sr 12.87079028 12.88643775 0.05843077 -0.17187657 -0.17548401 -0.23003740 Sr 15.99669013 16.04664795 0.02732019 0.11356823 0.11083871 -0.11696588 Sr 16.01081154 12.89100209 3.15871221 0.21274882 -0.22694796 0.21199234 Sr 12.89400056 16.00391462 3.17589671 -0.20103573 0.21277274 0.18906550 Sr 0.01691479 0.04215572 6.35924045 -0.09462970 -0.11552368 0.02803722 Sr 3.19949586 3.25296110 6.46314832 0.20960523 0.14984580 -0.06440728 Sr 3.21015367 0.01707118 9.63753111 0.12687571 -0.11822466 -0.05097808 Sr 0.01573115 3.16382141 9.56267229 -0.10976635 0.17445919 0.05384159 Sr 6.39944730 0.04835948 6.43849327 -0.03037682 -0.10906582 -0.04189867 Sr 9.55076303 3.23008850 6.40354156 0.08571054 0.19322953 0.02017451 Sr 9.59426878 0.03006916 9.58631059 0.06748669 -0.08153429 0.03091481 Sr 6.47262936 3.20133084 9.57879101 -0.08154372 0.24401350 0.05253868 Sr 12.84642732 0.04973265 6.35604411 -0.16926742 -0.09068182 0.06982417 Sr 16.06456401 3.23938243 6.36093602 0.10339270 0.08941649 0.07956774 Sr 16.02189544 0.01791730 9.68812705 0.06446744 -0.05957240 -0.05724903 Sr 12.83189137 3.26455414 9.62912737 -0.19919721 0.09145169 -0.02227062 Sr 0.01071039 6.47475637 6.46372475 -0.13350947 -0.04679500 -0.02328508 Sr 3.19572496 9.54952427 6.40023293 0.22762450 0.11705388 0.07058931 Sr 3.23274486 6.46206813 9.59530452 0.20081868 -0.07420301 0.05223033 Sr 0.03557765 9.58875801 9.70124097 -0.08836833 0.05903730 -0.05309310 Sr 6.39669099 6.43158050 6.38760849 0.08834791 0.05123711 0.04663276 Sr 9.62279116 9.61993058 6.41528715 -0.05147713 -0.05039200 0.04999503 Sr 9.61896907 6.37983522 9.66679323 -0.02660826 0.12278420 -0.07842828 Sr 6.40344207 9.67845085 9.69295257 0.06299240 -0.14047987 -0.17388089 Sr 12.87304785 6.40966689 6.39970515 -0.24674586 0.06902614 0.06561665 Sr 16.09813355 9.60810764 6.45806902 0.03460068 -0.01743009 -0.05032676 Sr 16.02899512 6.37983018 9.68780428 0.08513036 0.04242509 -0.05301329 Sr 12.85153818 9.67334478 9.67620221 -0.24874674 -0.08768218 -0.05315491 Sr 0.01304743 12.80731918 6.38181082 -0.11846044 -0.15245942 0.10098205 Sr 3.19972929 16.04654114 6.41019451 0.16582104 0.13643142 0.05097848 Sr 3.25222910 12.82272781 9.62882280 0.11362991 -0.13401393 -0.04652660 Sr 0.04427565 16.07837245 9.53290195 -0.08604041 0.06282648 0.03306778 Sr 6.35806881 12.88528355 6.43864138 0.11067187 -0.23570979 0.00609973 Sr 9.67799467 16.09003776 6.35845882 -0.02434952 0.02840407 0.07860351 Sr 9.58870973 12.78909453 9.68057635 0.07956998 -0.11357523 -0.13206872 Sr 6.51569543 16.10361513 9.66837186 -0.05057509 0.05833119 -0.07427911 Sr 12.82042356 12.85189795 6.41151272 -0.17424918 -0.21178958 0.04530642 Sr 16.05077820 16.02779001 6.36180598 0.09773111 0.08782927 0.05358109 Sr 15.99483540 12.77621082 9.60003030 0.15002190 -0.04095466 0.03068608 Sr 12.89833445 16.04385463 9.64086198 -0.18500732 0.08956399 -0.05400072 Sr 0.06214809 0.00158779 12.86187740 -0.17840604 -0.10390920 -0.13094699 Sr 3.21025759 3.16005207 12.89181615 0.15409829 0.31509831 -0.27920324 Sr 3.15032161 0.03411498 15.98853461 0.15072139 -0.15978225 0.19176199 Sr 0.02872036 3.26544064 16.08331605 -0.11451471 0.10848972 0.11128665 Sr 6.37162728 0.05026959 12.79612021 0.07892958 -0.16440811 -0.12204977 Sr 9.59495874 3.22567779 12.88589728 0.03839484 0.15832720 -0.24515990 Sr 9.63867681 0.00892860 16.03552929 -0.03788394 -0.11813563 0.09326063 Sr 6.43914159 3.15633924 15.99444031 -0.01919184 0.18045097 0.17437598 Sr 12.83139284 0.00890591 12.88847471 -0.15573576 -0.14127921 -0.20442640 Sr 16.02752560 3.20997435 12.88106546 0.13998059 0.12491744 -0.16239725 Sr 16.02888205 0.04272591 16.06987980 0.08394245 -0.08410505 0.07362932 Sr 12.84532072 3.17344048 16.02636116 -0.15080390 0.21020093 0.16499375 Sr 0.01141781 6.36612486 12.80674809 -0.05496674 0.00304048 -0.11770158 Sr 3.26441673 9.63463368 12.81256621 0.09626551 -0.02540731 -0.11293028 Sr 3.27218933 6.48309487 16.10503910 0.10754025 -0.06431028 0.06455337 Sr 0.02933499 9.56705005 16.01006576 -0.06975306 0.04474616 0.05831128 Sr 6.37279008 6.38461126 12.81177139 0.04552484 0.03918410 -0.15466982 Sr 9.56058144 9.64025865 12.87284496 0.04794992 -0.09418076 -0.20027583 Sr 9.60923322 6.41723350 16.06833091 -0.02142060 0.04504012 0.06933584 Sr 6.35870006 9.66034426 16.07367147 0.08032934 -0.02897424 0.07029100 Sr 12.81113918 6.47298714 12.84554330 -0.17446747 -0.01840697 -0.14652404 Sr 16.09831914 9.61358987 12.84743311 0.10705966 0.01334166 -0.12785885 Sr 16.09791261 6.38644948 16.01318843 0.05091325 0.03362442 0.10249382 Sr 12.86261646 9.67123765 15.98850856 -0.13216239 -0.06859890 0.13265794 Sr 0.01111918 12.88637016 12.81926707 -0.12578424 -0.15344917 -0.12568674 Sr 3.23453907 16.03001674 12.84024612 0.11902804 0.15287630 -0.16430379 Sr 3.26345228 12.89405392 16.00712892 0.07839368 -0.19153435 0.13764432 Sr 0.00977243 15.99277486 16.09803661 -0.05430258 0.06702225 0.05342103 Sr 6.46898401 12.79714412 12.78953619 -0.04495485 -0.06069836 -0.08210917 Sr 9.66426572 16.03060775 12.80210077 -0.04095414 0.11970001 -0.10321338 Sr 9.63298888 12.80584026 16.00357568 -0.04762783 -0.10038763 0.14109355 Sr 6.42644733 16.05262198 16.04628155 0.05801756 0.07828340 0.05793652 Sr 12.88087011 12.89588451 12.89780744 -0.17419717 -0.24753653 -0.23978135 Sr 16.00334403 16.11182310 12.89156691 0.14762049 0.07363949 -0.11844515 Sr 16.09074604 12.83210199 16.10778184 0.09098815 -0.06816698 0.08257037 Sr 12.77841327 16.05949840 16.00066559 -0.07862741 0.11546257 0.17124101