4000 Lattice="64.7750356824418 0.0 0.0 0.0 64.7750356824418 0.0 0.0 0.0 64.7750356824418" Properties=species:S:1:pos:R:3:forces:R:3 energy=-5929.374308765711 stress="-24.0012611985382 0.5305320078950331 -0.09690207679637197 0.5305320078950331 -24.67295464064091 1.182220679954753 -0.09690207679637197 1.182220679954753 -25.409061118609607" pbc="F F F" Ba -0.00527783 -0.03416988 0.01358133 -0.14512641 -0.13931790 -0.12216688 Ba 3.18083521 3.25949049 0.03354011 0.18915218 0.12577781 -0.38413663 Ba 3.34399662 0.01503115 3.17847033 -0.03673242 -0.36307879 0.22515922 Ba -0.04259150 3.25509988 3.28836823 -0.34904069 0.10161004 0.11931484 Ba 6.41953596 0.02517753 0.01395287 0.08373235 -0.23181265 -0.32733773 Ba 9.72642879 3.24528007 -0.04219327 -0.02700759 0.11736222 -0.28102069 Ba 9.61145438 -0.00650731 3.25467955 0.09516407 -0.28802444 0.15317734 Ba 6.47117567 3.21491507 3.24486521 0.07077172 0.32432869 0.22382744 Ba 12.92941529 0.04929700 0.06121630 -0.01826227 -0.25147368 -0.25943049 Ba 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58.23903413 32.35846333 -0.21378442 -0.16992457 0.03577058 Ba 48.52284703 61.48945841 32.44360962 0.03392037 0.32018804 -0.09733617 Ba 48.52741885 58.33589026 35.53613921 0.06357896 -0.32141020 0.10069593 Ba 45.37730153 61.55589943 35.63565359 -0.10094610 0.24468638 -0.04114593 Ba 51.79178602 58.28872166 32.34510612 0.04976949 -0.31871799 0.07168155 Ba 54.98376796 61.54025833 32.33259904 0.10695021 0.22569720 0.10689360 Ba 55.04848905 58.34713915 35.64117949 -0.04109579 -0.30273030 -0.06170911 Ba 51.77720429 61.56768800 35.65193465 0.02990589 0.24843062 -0.10231519 Ba 58.29397897 58.25209849 32.36483486 -0.28718100 -0.16316881 0.06013750 Ba 61.53003231 61.50467806 32.38394549 0.23527225 0.22534433 -0.02765117 Ba 61.59523198 58.23754195 35.57968461 0.22791670 -0.16289424 0.05606624 Ba 58.35266036 61.57920690 35.60711341 -0.23556988 0.22393718 -0.01544603 Ba 0.06434769 0.05393656 38.86067734 -0.26199085 -0.24571924 0.01913556 Ba 3.29315575 3.27709570 38.82419237 0.10511476 0.25365084 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42.06356482 -0.05118941 0.08292897 0.03339418 Ba 32.33530071 25.85076068 38.92727695 0.02610077 0.11513976 -0.10171371 Ba 35.68915735 29.09131606 38.91568360 -0.17012805 0.08795147 -0.07997161 Ba 35.57138934 25.94466638 42.15918073 0.06598531 -0.03122413 -0.03286645 Ba 32.29228745 29.08478354 42.13459014 0.08455399 0.10735191 -0.08479694 Ba 38.86453694 25.95655380 38.91247800 0.08759717 -0.10435412 -0.05717271 Ba 42.05028169 29.19117620 38.94619367 0.07041735 -0.16585406 -0.14328168 Ba 42.14131422 25.85555263 42.13965834 0.00964889 0.05157827 -0.01812232 Ba 38.80786447 29.18381854 42.09817212 0.07209883 -0.14597378 0.16711817 Ba 45.38035966 25.91673199 38.80740079 -0.04340943 0.02040634 0.08420239 Ba 48.63116813 29.10815309 38.83218099 -0.06396574 0.05849770 0.01218793 Ba 48.64039957 25.90386828 42.12663438 -0.08237520 0.05612172 -0.09189307 Ba 45.28205073 29.23059455 42.05095493 0.12563159 -0.11208916 0.02086740 Ba 51.83750964 25.80113036 38.80600935 -0.07081372 0.02903231 0.11826547 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42.04228610 38.82123189 0.02097204 0.08279779 0.06497567 Ba 35.68358708 38.85844364 42.13874838 -0.05749274 -0.02647127 -0.06573909 Ba 32.44592473 42.05051793 42.14450106 -0.05730656 0.03561379 -0.04183368 Ba 38.91652537 38.85244660 38.89622408 -0.03083603 0.00018053 0.03860905 Ba 42.11168132 42.06748294 38.91769643 0.00357534 0.03316240 -0.03893213 Ba 42.15089146 38.82076115 42.21986475 -0.09503481 0.09184593 -0.06292861 Ba 38.83265067 42.09772557 42.16592841 0.10113916 -0.07114398 -0.09181580 Ba 45.30493141 38.90226070 38.91082796 0.06180747 -0.06166085 -0.06094309 Ba 48.54960616 42.13527722 38.82025373 0.06623136 -0.12333631 0.06616794 Ba 48.54105260 38.80281514 42.10198907 0.03801032 0.12067190 0.01269976 Ba 45.41054897 42.13229794 42.07395741 -0.09546497 -0.03466661 0.14275210 Ba 51.84848461 38.83606568 38.85886572 -0.06890380 0.15182059 0.01802599 Ba 55.11388555 42.17383399 38.89850664 -0.10909014 -0.04501646 -0.04148670 Ba 55.04498349 38.92333015 42.05284397 -0.03882313 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16.21565232 55.09557565 38.84091962 -0.04531608 -0.08670033 0.05446996 Ba 16.21167171 51.79235193 42.04097385 -0.04960426 0.03844247 0.13386201 Ba 12.93214223 55.09447564 42.06346847 0.08497773 -0.09602455 0.05458842 Ba 19.43495511 51.88106163 38.87189040 -0.02759727 -0.10648529 -0.04524952 Ba 22.63115966 55.05969958 38.89034657 0.12120542 -0.03326084 -0.06204502 Ba 22.60711888 51.85277275 42.04856416 0.11740786 -0.06189384 0.10417671 Ba 19.49352909 55.08416810 42.04663279 -0.10912680 -0.03529307 0.11103886 Ba 25.85288287 51.84782970 38.91491640 0.06240034 -0.03633808 -0.07124441 Ba 29.03864863 55.05697130 38.80223832 0.09691639 -0.01477344 0.08622375 Ba 29.20293065 51.86119132 42.00637122 -0.09161473 -0.08938639 0.11106673 Ba 25.93446030 55.02667810 42.15327840 -0.04193490 -0.02191404 -0.05001977 Ba 32.41263928 51.86691274 38.89131918 -0.05080665 -0.08775420 -0.14211174 Ba 35.59249491 55.12129039 38.89662702 0.05796454 -0.06293643 -0.07354746 Ba 35.56600742 51.87302637 42.03091747 0.10785286 -0.05123925 0.07213430 Ba 32.35557195 55.04069782 42.07310356 0.01954802 0.04040506 0.03871102 Ba 38.91130298 51.89900480 38.86051902 -0.19445905 -0.09674301 -0.00110007 Ba 42.08281119 54.98406827 38.81593531 0.10818497 0.15862805 0.14611391 Ba 42.05790930 51.87971893 42.02929151 0.10074915 -0.07719777 0.12127328 Ba 38.82367779 55.07902626 42.16184103 0.07520161 -0.00010261 -0.10134691 Ba 45.40319318 51.82612079 38.83615285 -0.04937837 -0.01803594 0.06250947 Ba 48.51221605 55.16557223 38.81507258 0.02068589 -0.09119726 0.06494992 Ba 48.51398137 51.86510220 42.09712743 0.14556938 -0.10093353 -0.02400359 Ba 45.33781805 54.97920519 42.14836758 -0.05293640 0.07539155 -0.12857388 Ba 51.84083996 51.87805121 38.86059517 -0.17475574 -0.12878584 0.00632720 Ba 54.98816134 55.00439478 38.83638103 0.05041667 0.10139213 0.02433853 Ba 54.94985636 51.83418210 42.05155204 0.08239963 -0.07965437 0.10012075 Ba 51.80380673 55.00784175 42.03905397 -0.07179726 0.07818341 0.11696025 Ba 58.25413269 51.75907271 38.89285005 -0.22435216 0.09016728 0.02591592 Ba 61.53924613 55.06098721 38.93946611 0.20687477 -0.06547749 -0.02469879 Ba 61.51049487 51.79442230 42.15892022 0.26239086 0.08233218 0.01905817 Ba 58.24516992 55.09849212 42.15519506 -0.17861164 -0.15228057 -0.13215984 Ba -0.03198178 58.26459200 38.82350922 -0.27835900 -0.07895523 -0.03566468 Ba 3.28331475 61.55822224 38.82047083 0.04220150 0.29525387 0.01297051 Ba 3.21641746 58.30446891 42.13777442 0.30770184 -0.27234798 -0.01991637 Ba 0.05134878 61.56353791 42.00700494 -0.26286578 0.19812867 0.02418973 Ba 6.43271253 58.34578444 38.84657630 0.12173648 -0.38339028 0.12759192 Ba 9.72779632 61.50629151 38.80347247 0.02877546 0.25969342 0.03530465 Ba 9.72886969 58.36149839 42.13140865 -0.10289223 -0.30323277 -0.04717735 Ba 6.48941554 61.56473450 42.01315310 0.06174955 0.23571901 0.12534063 Ba 12.90999944 58.23416572 38.87112990 0.10202912 -0.11387403 0.01364296 Ba 16.11998975 61.55477770 38.80828033 0.01282339 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61.58122084 42.04297542 -0.09864533 0.21847075 0.08453007 Ba 38.80349053 58.34567975 38.82963652 0.09283868 -0.28107702 0.12008183 Ba 42.06214768 61.59248188 38.76887106 0.03471767 0.22544750 0.13711518 Ba 42.13299245 58.33681393 42.12005139 -0.04708586 -0.31069015 -0.10994831 Ba 38.90641418 61.58452735 42.21742905 -0.05056042 0.20185117 -0.11259172 Ba 45.26244365 58.35623283 38.80183306 0.00412078 -0.34379477 0.06382234 Ba 48.63950645 61.48035510 38.82921316 -0.09146475 0.30620732 0.01836290 Ba 48.53478356 58.34352435 42.03953268 0.06413473 -0.33404665 0.08170206 Ba 45.39435797 61.56399844 42.09015642 -0.06849059 0.27951599 -0.05223575 Ba 51.78399132 58.34024700 38.81509037 0.06787906 -0.37199802 0.02850719 Ba 55.01576627 61.56490276 38.82084359 0.04210802 0.23467432 0.04895551 Ba 55.04275192 58.26470902 42.16471133 -0.09872928 -0.23825651 -0.12068852 Ba 51.83492135 61.48899020 42.06616075 -0.06322469 0.25274436 0.06237758 Ba 58.26130712 58.27345074 38.92021645 -0.20418613 -0.20094990 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48.52666945 0.09820410 -0.00437200 0.15049620 Ba 19.38731014 29.20663377 48.56439205 -0.03154048 -0.04330302 0.04419999 Ba 25.96043369 25.95179988 45.34200648 -0.09087001 -0.05733931 0.02093031 Ba 29.16911592 29.08565620 45.39007729 -0.07105449 0.12951674 -0.03788009 Ba 29.09917598 25.95229791 48.60489314 0.04517245 -0.07503309 -0.05596804 Ba 25.87702585 29.23664452 48.54912409 0.05488023 -0.10106807 0.02756497 Ba 32.40656584 25.90855351 45.33139751 -0.06246079 -0.02084821 0.06774312 Ba 35.61471310 29.15888134 45.40338951 0.03143879 -0.02148681 -0.04160333 Ba 35.56150437 25.85401699 48.56549394 0.08420090 0.07892964 0.00029584 Ba 32.33227069 29.11024266 48.62874139 0.00565895 0.07565229 -0.05432979 Ba 38.88031233 25.84962609 45.41051743 0.00597011 0.20501871 -0.08611922 Ba 42.16307021 29.14618512 45.38033676 -0.08061082 -0.06373930 -0.06466394 Ba 42.12568322 25.84974673 48.53158301 0.04292765 0.04787376 0.05030411 Ba 38.94852891 29.15436960 48.65041646 -0.09536450 -0.08785614 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