108 Lattice="25.54435805139974 0.0 0.0 0.0 25.54435805139974 0.0 0.0 0.0 25.54435805139974" Properties=species:S:1:pos:R:3:forces:R:3 energy=-41.17871350876451 stress="0.07714506474593141 0.0011791849453285375 0.04709972530894291 0.0011791849453285375 0.07592314520599075 0.03871691784858555 0.04709972530894291 0.03871691784858555 0.014938005507984298" pbc="F F F" Rb -0.02353577 0.06689600 -0.00708297 -0.01504210 -0.02482474 -0.02273315 Rb 4.26799060 4.33490412 -0.00269526 0.04754688 0.02461974 -0.05664603 Rb 4.31083040 0.01693919 4.31350778 0.03031952 -0.04831959 0.03763642 Rb 0.02104892 4.19513908 4.21089021 -0.04772306 0.05588732 0.06037142 Rb 8.47866163 -0.04749498 0.01557231 0.00779414 -0.03042640 -0.03298791 Rb 12.77294811 4.23449912 -0.08171562 -0.00543888 0.05268207 -0.03510702 Rb 12.85503295 -0.00248219 4.20775291 -0.02394234 -0.04450746 0.04770474 Rb 8.54248466 4.18776236 4.19709199 0.02141323 0.07978448 0.07755827 Rb 17.10506295 0.02845011 -0.02410983 -0.03676275 -0.04148101 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12.79205876 0.06289162 0.01371208 -0.01631605 Rb 0.04415998 12.79264735 12.79379365 -0.01967782 -0.00600985 -0.01386712 Rb 8.59704284 8.57764937 8.57708204 0.01669522 0.00311528 0.00051166 Rb 12.85799527 12.82818244 8.46577119 -0.01482692 -0.02618936 0.03294913 Rb 12.81396073 8.44654096 12.81776556 -0.01159353 0.03551257 -0.02609731 Rb 8.54685391 12.75512842 12.78615024 0.02000514 -0.00962621 -0.00995402 Rb 17.10835296 8.54609246 8.48019890 -0.09006566 0.01067798 0.02465630 Rb 21.36592252 12.82009837 8.48111011 0.02268559 -0.00951468 0.02476964 Rb 21.27289956 8.48826847 12.70731373 0.02668325 0.01743892 0.00496015 Rb 17.08716785 12.75177821 12.84761434 -0.07233950 -0.01904700 -0.02803331 Rb -0.03287619 17.00484942 8.47974005 -0.03437769 -0.04580537 0.01715276 Rb 4.30644238 21.22046225 8.45646034 0.04328455 0.03769871 0.01590852 Rb 4.31018070 17.07122704 12.79320785 0.06124919 -0.07909159 -0.01983419 Rb -0.01309685 21.21192662 12.83094833 -0.02978177 0.03507838 -0.02142211 Rb 8.57902307 16.95117191 8.56326152 0.01642514 -0.04927175 0.01054123 Rb 12.74887012 21.36928018 8.45569538 -0.01039598 0.01679127 0.01676241 Rb 12.84804487 16.99470913 12.78151665 -0.03121009 -0.06007956 -0.01805966 Rb 8.52313318 21.33734743 12.73651404 0.01958122 0.01855160 -0.00575455 Rb 17.07759566 17.08067390 8.57190963 -0.07106597 -0.07639277 0.00345540 Rb 21.21062908 21.27849931 8.46712958 0.04217532 0.03191170 0.01222550 Rb 21.37132984 17.01599489 12.83730921 0.03799777 -0.04207669 -0.02156161 Rb 17.01557136 21.24594742 12.70954632 -0.04986768 0.04618488 -0.00026998 Rb 0.03692266 -0.06793799 17.02530019 -0.03560539 -0.03278890 -0.04192105 Rb 4.26251443 4.33478042 17.08650632 0.05381685 0.04902196 -0.06962827 Rb 4.18409843 -0.02419937 21.27480733 0.04691619 -0.03954120 0.03990811 Rb 0.04696264 4.19001346 21.31997124 -0.04082153 0.04397347 0.03721196 Rb 8.47918655 0.01802751 17.00616935 0.01454116 -0.03960384 -0.05146445 Rb 12.68228297 4.31755117 17.08735348 0.00602107 0.04675204 -0.07814018 Rb 12.77047165 -0.02184616 21.23776381 -0.00565824 -0.03628074 0.02675968 Rb 8.56851492 4.24283551 21.22244704 -0.00390041 0.05487991 0.05115781 Rb 17.10084127 -0.00934593 16.98819536 -0.06437458 -0.04885645 -0.03923950 Rb 21.24618405 4.19967756 17.02513175 0.05389307 0.06460349 -0.03904120 Rb 21.27229647 0.04996536 21.25704348 0.02568218 -0.02578091 0.02784785 Rb 16.98108218 4.20102291 21.32248446 -0.03938873 0.04995622 0.04935925 Rb -0.05795506 8.45561878 16.95876565 -0.03807678 0.01976517 -0.03313383 Rb 4.26477389 12.75868936 17.07131517 0.05906568 -0.00569848 -0.07366711 Rb 4.23402794 8.63950908 21.24330671 0.04867907 -0.00664197 0.04218409 Rb -0.02045607 12.81853934 21.34984022 -0.03251992 -0.00924984 0.02222919 Rb 8.54865420 8.54543883 17.02793256 0.01514823 0.02569440 -0.06332992 Rb 12.83764525 12.84494204 17.00137791 -0.01935602 -0.02654253 -0.06191198 Rb 12.83008717 8.59054820 21.29461962 -0.02117971 0.00949776 0.02577556 Rb 8.51347266 12.81296315 21.34259366 0.02383744 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21.36069527 16.97221734 0.03860789 0.03723463 -0.03076671 Rb 21.30593236 16.99798795 21.29104682 0.03790102 -0.02637840 0.03693738 Rb 17.09425256 21.27626984 21.22240400 -0.03095644 0.04371039 0.04464232