108 Lattice="25.54436007738909 0.0 0.0 0.0 25.54436007738909 0.0 0.0 0.0 25.54436007738909" Properties=species:S:1:pos:R:3:forces:R:3 energy=-41.05041184592685 stress="-2.9866462255848838e-05 3.664032558208797e-06 5.815629732200698e-06 3.664032558208797e-06 -3.120987935156277e-05 2.7935381442493973e-06 5.815629732200698e-06 2.7935381442493973e-06 -3.246713937735885e-05" free_energy=-41.05041184592685 pbc="F F F" Rb 0.01567299 0.03135593 0.07360302 -0.02356559 -0.02444477 -0.02471617 Rb 4.27621302 4.26867973 0.01217464 0.05289140 0.04253547 -0.05255790 Rb 4.27447069 0.00298474 4.26550868 0.05427422 -0.04462856 0.04830550 Rb 0.06648960 4.32350562 4.19612852 -0.05616861 0.03910959 0.05385522 Rb 8.44130333 0.02570361 0.01922929 0.00598276 -0.03568576 -0.03400867 Rb 12.69258375 4.18215742 0.00348260 0.00630820 0.04922697 -0.05135035 Rb 12.64779892 0.06432891 4.26360115 0.01324703 -0.04678009 0.04468862 Rb 8.66142725 4.34148343 4.25208838 -0.02018188 0.05126334 0.07160330 Rb 17.06317719 0.07236823 0.05934628 -0.04135737 -0.04313927 -0.03731884 Rb 21.22104610 4.32023728 0.05664136 0.04565274 0.03605701 -0.04402822 Rb 21.33463788 0.05008419 4.20688738 0.03906570 -0.03870610 0.03739087 Rb 16.97757492 4.33298392 4.27065482 -0.06345976 0.04327950 0.07169823 Rb 0.06006867 8.46197077 0.03375982 -0.03966878 0.01757436 -0.03624581 Rb 4.22417742 12.70308802 0.04943492 0.05289696 -0.01414494 -0.04940572 Rb 4.27885290 8.48967948 4.23237823 0.06241644 0.01387578 0.07810286 Rb 0.03516160 12.83010418 4.30341860 -0.05011551 -0.02408194 0.04453864 Rb 8.62600250 8.46580312 0.07538753 -0.01232196 0.00990891 -0.04417746 Rb 12.71618335 12.63581504 0.05853195 0.00046576 0.01712993 -0.03263799 Rb 12.79888791 8.51637247 4.21092300 -0.00692829 0.01545974 0.10613209 Rb 8.47834784 12.69571127 4.17260099 0.02123140 0.00257036 0.10527241 Rb 16.97579703 8.49460934 0.07867579 -0.04465356 0.01649574 -0.04885952 Rb 21.34506342 12.69900839 0.03927067 0.02137363 0.00228369 -0.02824157 Rb 21.21657471 8.56680376 4.27721248 0.04386065 0.01339954 0.05518588 Rb 17.00232762 12.84345759 4.32441032 -0.06213152 -0.02309237 0.05091554 Rb 0.08294513 16.99801530 0.00649310 -0.04040399 -0.02566368 -0.04160903 Rb 4.28275660 21.35787582 0.07133377 0.03165370 0.03537278 -0.04053371 Rb 4.22101339 16.95785360 4.27456346 0.07179119 -0.03928989 0.06086867 Rb 0.01734418 21.35714054 4.24039317 -0.03687295 0.03133227 0.03765182 Rb 8.43036732 16.97428382 0.04798977 0.01538163 -0.04422399 -0.04341286 Rb 12.77087007 21.22340263 0.03236149 -0.01233489 0.03612368 -0.03761806 Rb 12.71225411 17.10103348 4.23517839 -0.01720494 -0.07825813 0.07682454 Rb 8.49749163 21.30116924 4.24873027 0.00637891 0.03533161 0.05089433 Rb 16.97073325 17.01717800 0.04415872 -0.03435463 -0.05354077 -0.05419430 Rb 21.27288131 21.35959449 0.01296810 0.02079392 0.01807167 -0.02579126 Rb 21.25170773 17.10988862 4.24549261 0.05734424 -0.05614297 0.03868221 Rb 17.07292508 21.34022933 4.22415984 -0.05611672 0.05152475 0.05358681 Rb 0.02410126 0.08000156 8.43981749 -0.03521475 -0.04047093 0.01060834 Rb 4.19872396 4.21788519 8.53473424 0.08315083 0.07559633 0.00656685 Rb 4.33437164 0.05210029 12.80882586 0.05001393 -0.04319820 -0.02170716 Rb 0.04657126 4.21832987 12.70866543 -0.04044223 0.06294278 0.00366675 Rb 8.62641312 0.08351860 8.49843908 -0.01747749 -0.03883108 0.00709594 Rb 12.71851594 4.20173152 8.63942102 0.01995671 0.09427702 -0.00725807 Rb 12.65219431 0.02147444 12.83813907 0.01021254 -0.04256387 -0.01307217 Rb 8.62000016 4.28197815 12.63752767 -0.02055913 0.07761381 0.02300181 Rb 17.06582543 0.00972942 8.45304400 -0.05351359 -0.03672986 0.01568132 Rb 21.36187420 4.27132496 8.47623275 0.03609229 0.04443413 0.01182179 Rb 21.34578733 0.03104397 12.80748728 0.02271191 -0.03293749 -0.01057403 Rb 17.04331867 4.22232435 12.73089253 -0.06560304 0.06424600 -0.01398065 Rb 0.00825545 8.51633488 8.53511066 -0.02108959 0.01539269 0.01289045 Rb 4.19555816 12.83987045 8.50496812 0.09344857 -0.03361667 0.01919716 Rb 4.33161799 8.61837017 12.81966964 0.06019461 -0.00997219 -0.03074302 Rb 0.04170120 12.83863365 12.80549582 -0.03233795 -0.02122895 -0.01783824 Rb 8.47740211 8.43260300 8.43170696 0.02029311 0.04600482 0.02858974 Rb 12.78719440 12.81540688 8.52378410 -0.03605273 -0.03208055 0.01329590 Rb 12.69863695 8.53050060 12.85710901 0.00095880 0.02670003 -0.03063587 Rb 8.47940514 12.81224955 12.82449493 0.02081387 -0.01230275 -0.02908517 Rb 17.08474321 8.49841147 8.53184092 -0.09324227 0.01938591 0.02413456 Rb 21.24133385 12.84096031 8.61896092 0.03180799 -0.01825260 0.00425383 Rb 21.25899742 8.48094674 12.79433542 0.02756723 0.02226524 -0.01512499 Rb 16.98747686 12.85607438 12.83181624 -0.06157190 -0.03990835 -0.02503367 Rb 0.05582472 17.06201144 8.56210870 -0.05253788 -0.04367942 -0.00143872 Rb 4.29883766 21.26832775 8.53663784 0.04418583 0.04686137 -0.00427073 Rb 4.19946037 17.11328252 12.75401126 0.08459371 -0.07936880 0.00791488 Rb 0.07642013 21.26342840 12.74008590 -0.04101885 0.04082146 0.00048343 Rb 8.46688562 17.07701186 8.61799044 0.02956531 -0.08816883 -0.00100627 Rb 12.69401549 21.34530521 8.52225880 0.00491634 0.01460524 0.01232778 Rb 12.85657706 16.94761595 12.84816408 -0.04462652 -0.05077095 -0.03536405 Rb 8.50876949 21.35223368 12.76475078 0.01714078 0.01884946 0.00141202 Rb 17.03620905 16.97460364 8.44311331 -0.07139113 -0.03727265 0.02474494 Rb 21.31316844 21.33868282 8.45556021 0.02533494 0.02854216 0.01547187 Rb 21.33998978 17.10453797 12.78847657 0.03712383 -0.05413198 -0.01774977 Rb 17.01902928 21.20356013 12.75918687 -0.04388595 0.04282470 -0.02425265 Rb 0.07757788 0.03529612 17.02086306 -0.05080739 -0.04878981 -0.03936057 Rb 4.18859239 4.22972276 17.05499993 0.08374990 0.07605863 -0.07693025 Rb 4.19286144 0.01200904 21.28172299 0.04237894 -0.04176979 0.04864477 Rb 0.03803426 4.26785084 21.21586713 -0.05323162 0.03347376 0.04812034 Rb 8.46530382 0.04227954 17.09672437 0.01312029 -0.03096655 -0.04697931 Rb 12.84581628 4.19377768 16.99491361 -0.03276345 0.08323105 -0.05995330 Rb 12.82398592 0.00212582 21.25360730 -0.01918736 -0.03099215 0.03856781 Rb 8.51892459 4.32467747 21.32109175 0.01171176 0.04013841 0.03226032 Rb 16.97373347 0.04705405 17.07593919 -0.02510849 -0.06037249 -0.06139450 Rb 21.36703240 4.26294060 16.96970202 0.04812729 0.03876217 -0.03987218 Rb 21.29852566 0.07116093 21.27037889 0.02599881 -0.02589542 0.02115483 Rb 17.07865763 4.20725122 21.22347377 -0.04594708 0.05594439 0.05738266 Rb 0.01832337 8.58378487 17.06543527 -0.04774627 0.00119558 -0.06125150 Rb 4.21422227 12.70961775 17.03344412 0.07666682 0.00685251 -0.05909587 Rb 4.19269114 8.47772093 21.27955383 0.05861017 0.01808919 0.04378270 Rb 0.01823762 12.82991596 21.34376092 -0.02883884 -0.00622540 0.03431662 Rb 8.48205983 8.52496770 17.01606310 0.02047785 0.00232551 -0.06131998 Rb 12.76169108 12.81734497 17.08937589 -0.01879866 -0.02724990 -0.06546670 Rb 12.81261435 8.47222021 21.21535017 -0.01409611 0.01295338 0.02254002 Rb 8.48528807 12.79505632 21.31159379 0.01729169 -0.01956010 0.02487554 Rb 17.09906453 8.49301783 17.00267964 -0.07654741 0.01751133 -0.06519038 Rb 21.22439634 12.83464312 17.04841765 0.04098487 -0.01226230 -0.04513848 Rb 21.31597553 8.43942036 21.25683167 0.03120032 0.01402192 0.03040848 Rb 17.02346189 12.72576795 21.35192632 -0.04131821 -0.00465856 0.03414756 Rb 0.00441277 16.99407047 17.04226178 -0.05069858 -0.03275554 -0.03855034 Rb 4.26101415 21.32284498 17.04390470 0.04476487 0.05146400 -0.04888265 Rb 4.33469111 17.04584973 21.20252937 0.02840298 -0.04603316 0.05464387 Rb 0.07680626 21.36442119 21.25896824 -0.02199454 0.01665219 0.02202570 Rb 8.51072031 17.08199124 17.09389474 0.01797940 -0.06539148 -0.08152317 Rb 12.84175714 21.31384917 16.97405241 -0.02269283 0.04012818 -0.03436518 Rb 12.84331150 17.09084268 21.32207115 -0.01975030 -0.04951566 0.03697610 Rb 8.46299143 21.31179000 21.35675676 0.01951536 0.03274006 0.02581400 Rb 16.96591075 17.01422589 16.97795898 -0.03740713 -0.05299461 -0.03069061 Rb 21.33834818 21.23964340 16.96715550 0.03150184 0.04056487 -0.02300227 Rb 21.33684344 17.08398039 21.35830095 0.03149793 -0.03982183 0.03026067 Rb 17.08780345 21.25320952 21.34884095 -0.03173444 0.04116714 0.02953098