500 Lattice="42.74729669504107 0.0 0.0 0.0 42.74729669504107 0.0 0.0 0.0 42.74729669504107" Properties=species:S:1:pos:R:3:forces:R:3 energy=-243.8678840349941 stress="-0.4398775385657765 0.19056030648301447 -0.2549842566393048 0.19056030648301447 -0.39967509110771005 -0.024024260750721282 -0.2549842566393048 -0.024024260750721282 -0.5487381032599963" pbc="F F F" Cs 0.00770143 -0.04606462 0.07023756 -0.04412493 -0.03963078 -0.03831973 Cs 4.28067619 4.21958827 0.03894293 0.03785627 0.05491987 -0.09723100 Cs 4.34091413 -0.03288698 4.26388492 0.03999942 -0.08325972 0.07108001 Cs -0.06043243 4.34113100 4.33072245 -0.08644794 0.02383462 0.03842150 Cs 8.56961213 -0.05294621 0.05011509 0.01242156 -0.06579461 -0.06322744 Cs 12.78148432 4.20353545 -0.03003483 0.02660051 0.06456485 -0.06751135 Cs 12.85399388 -0.05732639 4.32456987 -0.00566990 -0.06824520 0.05032629 Cs 8.53710844 4.32788410 4.22441281 0.02430378 0.03484721 0.09267347 Cs 17.10421026 0.04476234 0.03727777 0.00501921 -0.06376953 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0.04289923 0.04120839 Cs 0.01519002 12.88546677 4.34484807 -0.07564622 -0.00934015 0.04655692 Cs 8.65349522 8.48061686 0.07203912 -0.00697614 0.03847909 -0.07210142 Cs 12.78399351 12.84090079 -0.05505153 -0.00011358 0.01019383 -0.05329977 Cs 12.77813406 8.57498462 4.32410396 0.02226357 0.01708620 0.07079967 Cs 8.48315371 12.87867176 4.31870185 0.03314836 0.00344046 0.06820376 Cs 17.17581538 8.67728493 0.06988946 -0.02756089 -0.00825925 -0.07147610 Cs 21.44955081 12.80947070 -0.01646663 -0.00523409 0.00671222 -0.06024905 Cs 21.29018296 8.52862931 4.26229581 0.02185807 0.03455333 0.08993955 Cs 17.01976497 12.78978115 4.19138327 0.00636155 0.01403982 0.09999180 Cs 25.71796695 8.57158864 0.08391951 -0.01104938 0.00998438 -0.06391266 Cs 29.91455408 12.86611578 0.06013489 -0.01657010 -0.01018312 -0.06770150 Cs 29.90095411 8.50213197 4.23658318 -0.01849160 0.04130751 0.08205498 Cs 25.53590825 12.91294516 4.28510423 0.01621758 -0.01723835 0.08339761 Cs 34.18258612 8.49900708 -0.02558664 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17.07553177 4.32697664 0.00291890 0.01691636 0.06096449 Cs 17.10381211 21.44319139 4.23495548 -0.00202442 -0.00601691 0.08133884 Cs 25.59783321 17.08765230 -0.07668735 0.00359220 0.01327661 -0.05083895 Cs 29.99305641 21.36299102 0.07538426 -0.02557525 -0.00915482 -0.06266779 Cs 29.95219378 16.97717747 4.19844564 -0.03492036 0.02321192 0.09900368 Cs 25.70421107 21.45616134 4.25383354 -0.00122413 -0.02817967 0.09836309 Cs 34.17081125 17.10365542 -0.06682974 -0.03216877 0.00060819 -0.07493214 Cs 38.46447976 21.45053491 -0.05549824 0.06446783 -0.02191798 -0.05500259 Cs 38.48479805 17.02490157 4.35858876 0.07674823 0.01526989 0.02688508 Cs 34.26789125 21.32134650 4.26339611 -0.08757086 -0.00055555 0.07343813 Cs 0.03568084 25.72000596 0.02351234 -0.06704114 -0.00064596 -0.06406035 Cs 4.33115838 29.92510360 -0.05353095 0.05511082 -0.01428865 -0.07152370 Cs 4.33238014 25.58320910 4.20545128 0.06220815 0.02379000 0.08529803 Cs 0.00158660 29.94545383 4.25485982 -0.07231502 -0.01702762 0.04059747 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-0.08177714 0.04566637 0.08413335 Cs 0.06330650 8.47073671 34.15563767 -0.09338251 0.02083309 -0.03282034 Cs 4.23112158 12.81192031 34.11670920 0.08479976 0.02111636 -0.05935454 Cs 4.32141406 8.57746038 38.41968619 0.04154308 -0.00090308 0.08400135 Cs 0.05594902 12.73389386 38.42468433 -0.06174964 0.00720717 0.06128239 Cs 8.46585700 8.49848909 34.21943127 0.04974846 0.02907861 -0.08094502 Cs 12.80295518 12.90551668 34.19439828 0.00535935 -0.02864637 -0.06353521 Cs 12.87849068 8.46808941 38.43243698 -0.00774451 0.03058196 0.06074582 Cs 8.46933056 12.76250263 38.54323771 0.03391617 0.00834283 0.05399782 Cs 17.06879288 8.56272781 34.21685912 0.01604315 0.03051125 -0.09829134 Cs 21.37149621 12.89974186 34.21951567 0.01483031 -0.01590069 -0.09816459 Cs 21.41260854 8.60254139 38.46063643 -0.00206799 -0.00060397 0.05509765 Cs 17.16788483 12.81288253 38.39703462 -0.01648608 0.01092542 0.07007931 Cs 25.67193505 8.62334420 34.14733143 -0.03447668 0.02113603 -0.07326774 Cs 29.85059986 12.78583386 34.18864328 -0.01115907 0.01945692 -0.08671821 Cs 29.77105874 8.56984253 38.45216287 0.01007457 -0.00241642 0.06550977 Cs 25.64072528 12.81806093 38.54773130 -0.00857630 0.02068484 0.05238679 Cs 34.25001980 8.61145440 34.18429642 -0.09682848 0.00170808 -0.07008431 Cs 38.39416512 12.83148624 34.18761574 0.08115642 0.01253908 -0.04398278 Cs 38.44246961 8.55492693 38.44785825 0.07058000 0.01710166 0.07074637 Cs 34.15382711 12.76605606 38.43409466 -0.04191658 0.01297541 0.08129252 Cs -0.07442351 17.11914723 34.27619715 -0.06531695 -0.00028469 -0.05689980 Cs 4.35597830 21.37921821 34.24538611 0.05299812 -0.00852514 -0.08491441 Cs 4.28187789 17.13360360 38.48987046 0.04885734 -0.01287779 0.06878794 Cs 0.05524105 21.41105862 38.54966582 -0.05381170 0.00341729 0.05852834 Cs 8.56099993 16.97333617 34.15982803 0.00164225 0.01346082 -0.07980198 Cs 12.88124673 21.35329480 34.13832234 0.01263982 -0.00462693 -0.07406126 Cs 12.75465546 17.13889966 38.44942698 0.02442757 -0.01000893 0.05830137 Cs 8.57621877 21.27793761 38.41180016 0.01319639 0.01004677 0.06505782 Cs 17.20906238 17.05645748 34.25080998 -0.02185701 0.02100250 -0.08722699 Cs 21.27802469 21.35282047 34.26392048 0.00952644 0.01036932 -0.10503462 Cs 21.44056643 17.18115185 38.52129888 0.00214387 -0.00659497 0.06260409 Cs 17.13921252 21.45254337 38.54853957 -0.01807408 -0.01289881 0.05251549 Cs 25.64587271 17.13802342 34.14050428 -0.00510259 -0.00736886 -0.05721121 Cs 29.94126782 21.37842379 34.22536732 -0.03014863 0.01453202 -0.09463725 Cs 30.00628660 17.00872129 38.39701841 -0.03661114 0.01353589 0.06556349 Cs 25.68237997 21.45436064 38.49588286 0.00099629 -0.01135187 0.05198322 Cs 34.20149952 17.18619033 34.23280918 -0.06803626 -0.00829717 -0.08421414 Cs 38.54701087 21.39327389 34.27923569 0.06816121 0.01252095 -0.08514322 Cs 38.55742827 17.22829777 38.44030723 0.04678797 -0.01977976 0.06334537 Cs 34.14101863 21.44796122 38.48419291 -0.05176901 -0.01646127 0.08222051 Cs -0.01157654 25.59129776 34.21480505 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29.94725035 25.65767461 38.39591023 -0.02455574 0.00679208 0.06670550 Cs 25.69144675 29.94857576 38.48630048 -0.01394949 -0.02696834 0.06671977 Cs 34.21131411 25.69072830 34.24418077 -0.06431180 -0.01245710 -0.09568672 Cs 38.45983682 29.99057724 34.19068094 0.08694089 -0.03681703 -0.04654458 Cs 38.41144826 25.56405843 38.54189862 0.06417645 0.01612373 0.05935091 Cs 34.24314983 29.99104614 38.41558788 -0.05131830 -0.01678646 0.08633455 Cs 0.06776037 34.26475155 34.27168367 -0.10115630 -0.05258342 -0.04306945 Cs 4.30139754 38.48741142 34.17811728 0.05086879 0.09084549 -0.02448100 Cs 4.27540767 34.12856232 38.53992914 0.05319745 -0.01723495 0.08478251 Cs -0.03189747 38.52272738 38.52233372 -0.03246139 0.03952515 0.03973961 Cs 8.55986435 34.25967331 34.12514879 0.00603700 -0.09039240 -0.06588792 Cs 12.82861541 38.45908685 34.27904127 0.01539343 0.08910181 -0.07558832 Cs 12.76706622 34.25850309 38.40152169 0.01536594 -0.07735136 0.08819947 Cs 8.66964484 38.49474983 38.52634739 -0.01666572 0.06099615 0.06123581 Cs 17.03819833 34.24042884 34.20758519 0.01905081 -0.07514562 -0.07249656 Cs 21.30315558 38.53507791 34.14818847 0.02065426 0.06859322 -0.04757044 Cs 21.40389831 34.25143241 38.43690384 -0.00318924 -0.05720743 0.06865860 Cs 17.13731767 38.49687556 38.53079376 -0.00066344 0.05637241 0.06093858 Cs 25.71800173 34.22750966 34.26792187 -0.01303416 -0.05911552 -0.09401473 Cs 30.00816291 38.50544535 34.15316906 -0.03716262 0.07794221 -0.03329198 Cs 29.89020057 34.12169382 38.54529403 0.00212245 -0.03316848 0.07059136 Cs 25.64078014 38.44443678 38.55600053 0.00403476 0.06436503 0.04729203 Cs 34.27708694 34.25056265 34.14050102 -0.08298321 -0.08082115 -0.05974762 Cs 38.41367280 38.53230251 34.22879013 0.08106777 0.07567209 -0.04964109 Cs 38.48327143 34.27622014 38.44976130 0.08053236 -0.04240978 0.07656480 Cs 34.22896099 38.41976127 38.44977625 -0.05095732 0.07314292 0.08154912