256 Lattice="26.881422699110043 0.0 0.0 0.0 26.881422699110043 0.0 0.0 0.0 26.881422699110043" Properties=species:S:1:pos:R:3:forces:R:3 energy=-273.24646334346846 stress="-0.00018401583458157352 -1.926354335543197e-05 9.785808242176876e-06 -1.926354335543197e-05 -0.00017372351060482546 -3.0215410788320665e-05 9.785808242176876e-06 -3.0215410788320665e-05 -0.000194129240853437" free_energy=-273.24646334346846 pbc="F F F" Ba 0.03248265 0.00683693 0.01352740 -0.11169785 -0.09335949 -0.07607549 Ba 3.33178080 3.29344992 0.05552290 0.14436048 0.20046892 -0.24027946 Ba 3.39594263 0.04581372 3.32032472 0.08356300 -0.22054637 0.20882225 Ba 0.02230823 3.38964987 3.40412003 -0.23602793 0.13631880 0.09857969 Ba 6.67402855 0.01644891 0.06331716 0.06496373 -0.13460933 -0.14441190 Ba 10.02157060 3.38167692 0.05492246 0.01948173 0.15687023 -0.17435970 Ba 10.14969317 0.03848543 3.30799750 -0.06231749 -0.16087314 0.20390156 Ba 6.75075726 3.41071751 3.39750805 0.01361996 0.14665086 0.15856261 Ba 13.39250155 0.05805355 0.03174760 0.04037157 -0.13306032 -0.16162356 Ba 16.76379068 3.38375774 0.04473485 0.02448455 0.14658686 -0.16638530 Ba 16.83987060 0.02137566 3.34683693 -0.03611479 -0.18523452 0.10859023 Ba 13.49387033 3.35346731 3.36738271 -0.04428325 0.22736031 0.18293314 Ba 20.22018908 0.04488928 0.03789361 -0.15506404 -0.15061927 -0.17097959 Ba 23.52577306 3.31709179 0.01904489 0.12503438 0.17243866 -0.12772721 Ba 23.49287996 0.00601219 3.35287455 0.15600531 -0.15478392 0.13044573 Ba 20.10316845 3.37876461 3.41036761 -0.13061111 0.23529466 0.11862293 Ba 0.01552846 6.75410186 0.00140607 -0.12135640 -0.01296645 -0.13607425 Ba 3.34064032 10.13290147 0.03771390 0.16251649 -0.03729460 -0.16133649 Ba 3.35830619 6.67065786 3.30196672 0.20583162 0.10795947 0.26013499 Ba 0.02390655 10.02181597 3.40345180 -0.15018999 0.05803352 0.13607962 Ba 6.68148066 6.71506068 0.06090985 0.05348197 0.06232128 -0.13524062 Ba 10.17679087 10.05198652 0.02556958 -0.05532283 -0.01173154 -0.09217667 Ba 10.12158820 6.70049211 3.42638472 0.00253505 0.08151076 0.09261165 Ba 6.76059502 10.13910992 3.35559430 0.01179540 -0.04837403 0.21453629 Ba 13.40729546 6.70880280 0.03243355 0.02244721 0.01834435 -0.10958361 Ba 16.82257714 10.05637642 0.02352191 -0.09362007 0.06710956 -0.13863296 Ba 16.73672682 6.82107875 3.40064362 -0.00199437 -0.07048570 0.17667009 Ba 13.48916930 10.15779251 3.37261354 -0.05009405 -0.02690596 0.17624430 Ba 20.09439766 6.78747188 0.00259517 -0.07372063 -0.07172359 -0.15169889 Ba 23.56820011 10.09823419 0.01013802 0.07867184 0.02164548 -0.11386944 Ba 23.49678646 6.76517216 3.33080695 0.14128559 -0.04796746 0.16075427 Ba 20.11853893 10.02007827 3.36227677 -0.10894303 0.08086363 0.21235851 Ba 0.06037663 13.49198055 0.00667345 -0.17169390 -0.02260596 -0.12450776 Ba 3.37718501 16.81632334 0.06122105 0.16985000 -0.02152220 -0.22183197 Ba 3.30962958 13.45869172 3.31593214 0.22210834 -0.02159138 0.27918510 Ba 0.01819393 16.89701601 3.31372774 -0.16279755 -0.05943552 0.24691101 Ba 6.78177221 13.38183726 0.01859345 -0.00912708 0.03498916 -0.13235769 Ba 10.11477095 16.73437357 0.04151057 -0.06168943 0.09345936 -0.16631868 Ba 10.11563386 13.50556033 3.33629774 -0.09025223 -0.07147179 0.28317480 Ba 6.69294657 16.84357042 3.31664842 0.09878919 -0.07219173 0.24416093 Ba 13.41855011 13.46761062 0.04977343 0.07244314 -0.07716292 -0.17662932 Ba 16.74557405 16.78130850 0.04023549 0.02885731 0.01249348 -0.12022661 Ba 16.82377997 13.46842126 3.42096326 -0.05558628 -0.00500936 0.15345920 Ba 13.39442740 16.71083871 3.31964734 0.06832203 0.09973491 0.32388523 Ba 20.10759690 13.46558880 0.02441514 -0.10028988 -0.02003951 -0.12630964 Ba 23.48361817 16.82468333 0.06507411 0.12994668 -0.03954544 -0.13942609 Ba 23.51931368 13.46184232 3.36483681 0.10089293 -0.05682307 0.14378478 Ba 20.12650481 16.83601351 3.42730001 -0.19463942 -0.02823437 0.17162541 Ba 0.05874240 20.21289513 0.05939095 -0.18601961 -0.14327038 -0.21509285 Ba 3.32232765 23.47226846 0.00503480 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3.37573200 -0.18843907 0.21404591 0.12587566 Ba 0.00477418 0.06153959 6.70645853 -0.11600306 -0.15543417 -0.00537035 Ba 3.35503883 3.41536617 6.66706933 0.23342402 0.19040972 0.07768295 Ba 3.37853588 0.03980957 10.02551219 0.14457701 -0.15705877 0.00187177 Ba 0.02926641 3.36625656 10.01978984 -0.13220198 0.14895229 0.04619896 Ba 6.72767478 0.05059444 6.65499835 0.04686656 -0.12366753 0.05807774 Ba 10.06718774 3.39272217 6.71556791 0.06336452 0.12433342 0.06349309 Ba 10.13407861 0.03247399 10.07402345 -0.01784546 -0.11498867 -0.02200073 Ba 6.71803824 3.38870026 10.09676323 0.00955433 0.18005118 -0.03646741 Ba 13.49954239 0.02051084 6.64161663 -0.03870010 -0.12469359 0.09086718 Ba 16.72553814 3.39674659 6.72728332 0.03136095 0.17324428 0.03564918 Ba 16.79328173 0.01563019 10.14377045 -0.01663907 -0.09868191 -0.04235245 Ba 13.48675642 3.38766481 10.07757944 -0.03097448 0.20140784 -0.00508725 Ba 20.11747284 0.05201632 6.68941088 -0.13344559 -0.17798659 0.07181358 Ba 23.54473491 3.29497050 6.74264434 0.16213256 0.20287714 -0.02922133 Ba 23.52071409 0.03712000 10.11514307 0.14261569 -0.17829113 -0.04130281 Ba 20.21370142 3.32350195 10.06650772 -0.27895764 0.23146327 -0.00790875 Ba 0.00601636 6.78615704 6.78130263 -0.12803966 -0.03628492 -0.03346600 Ba 3.41396278 10.01558641 6.74943373 0.20115825 0.06952381 -0.06976034 Ba 3.41342293 6.78166972 10.02459505 0.18398444 -0.07050280 0.06852327 Ba 0.01401608 10.01512294 10.08157360 -0.12702693 0.03704834 0.03369688 Ba 6.82815367 6.73969682 6.67657040 -0.06769760 0.04390974 0.06190341 Ba 10.12258320 10.07691847 6.69593529 -0.04633100 0.04469692 0.07105688 Ba 10.06043177 6.70594892 10.10466884 0.06720370 0.06032213 -0.02834614 Ba 6.71559285 10.08056776 10.07353221 0.07491992 0.04739190 -0.04565834 Ba 13.40224829 6.74304086 6.67043024 0.03026677 0.04976716 0.13530170 Ba 16.77881927 10.12086505 6.70423125 -0.05110835 -0.03401523 0.09701269 Ba 16.85918070 6.69786628 10.02744667 -0.06376110 0.09182537 0.05031722 Ba 13.44792440 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0.06033923 0.10313477 Ba 6.64819731 10.13104108 23.57449348 0.05055331 -0.03805392 0.09156863 Ba 13.37462025 6.66967535 20.17723248 0.04382589 0.06766976 -0.22853145 Ba 16.82178751 10.08575914 20.15443342 -0.07264667 -0.03694011 -0.25412817 Ba 16.79593194 6.66708745 23.50958588 -0.02070750 0.06648719 0.15043922 Ba 13.48889753 9.97064901 23.48530398 -0.05654520 0.06474148 0.09408371 Ba 20.11016890 6.68785440 20.21024228 -0.04474531 0.07621876 -0.21178675 Ba 23.50608552 10.12565703 20.22027227 0.11508609 -0.07584744 -0.21486604 Ba 23.53548630 6.70839586 23.56720407 0.09859099 0.02058971 0.08997667 Ba 20.10945483 10.05880258 23.54678818 -0.09076061 -0.02397907 0.16080916 Ba 0.00039569 13.36545547 20.21429192 -0.16133872 0.03294636 -0.21488252 Ba 3.34507178 16.77159597 20.16170108 0.19182694 -0.02097249 -0.21488549 Ba 3.32288815 13.48551197 23.53024111 0.14024290 -0.07605032 0.14136672 Ba 0.06407003 16.80032696 23.52602171 -0.18551158 -0.02804343 0.12905773 Ba 6.76367225 13.46817804 20.22033986 -0.06145158 -0.01972115 -0.26937516 Ba 10.11185855 16.77147906 20.15348274 -0.05026119 0.05501810 -0.17454049 Ba 10.04496544 13.37606374 23.48114768 0.11355377 0.00404823 0.14623585 Ba 6.72747450 16.70266390 23.56085278 0.01758636 0.05610357 0.11125396 Ba 13.45484947 13.47427491 20.18082313 0.01115682 -0.06226681 -0.22140770 Ba 16.81680292 16.84370203 20.21361634 -0.04948610 -0.06829121 -0.31855967 Ba 16.83144805 13.37717156 23.46064822 -0.09203427 0.04019722 0.16624338 Ba 13.47924767 16.86269583 23.46738901 -0.03768287 -0.07194011 0.15473684 Ba 20.09758020 13.40238596 20.15202035 -0.13225875 0.03116437 -0.26740389 Ba 23.52971427 16.83106914 20.14930123 0.13815880 -0.05920075 -0.08848645 Ba 23.52064487 13.41238063 23.45780391 0.10630776 0.03302774 0.14229212 Ba 20.13466392 16.74971288 23.52005580 -0.07602136 0.01020058 0.15534111 Ba 0.03323968 20.17809087 20.21668311 -0.22026821 -0.17907961 -0.18400048 Ba 3.30351937 23.51204438 20.18700408 0.20664400 0.18421580 -0.17872961 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0.14201145 0.18120082