108 Lattice="20.381714486862545 0.0 0.0 0.0 20.381714486862545 0.0 0.0 0.0 20.381714486862545" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-104.14172934145631 pbc="F F F" Ba 0.00782076 -0.03287077 0.06630321 56 -0.07426918 -0.06442003 -0.07166704 Ba 3.38268096 3.35539834 -0.02335781 56 0.11514085 0.17283473 -0.10315694 Ba 3.35065796 -0.04011577 3.43052448 56 0.21033816 -0.12671952 0.08212420 Ba 0.03430769 3.37829928 3.41366132 56 -0.13746403 0.16379566 0.10242327 Ba 6.83138158 0.06363525 -0.06394433 56 -0.03398139 -0.09495476 -0.04793171 Ba 10.19283737 3.34469923 0.04025438 56 0.00694641 0.19650553 -0.10990201 Ba 10.17318027 0.01141744 3.35867980 56 -0.05901553 -0.12272644 0.18866168 Ba 6.78076890 3.46059454 3.44992859 56 0.03094770 0.12509398 0.14421764 Ba 13.60394293 0.04608515 0.06407482 56 -0.11536423 -0.15853012 -0.13779987 Ba 16.94525342 3.33774606 0.01719729 56 0.11577368 0.16017876 -0.15612816 Ba 17.04363224 0.03187569 3.33243483 56 0.11698254 -0.12788870 0.14910551 Ba 13.59403891 3.39846147 3.41194051 56 -0.16772711 0.20849078 0.18681411 Ba -0.06424242 6.85326899 -0.06271461 56 -0.05203214 -0.03688647 -0.06243739 Ba 3.42937312 10.14310866 0.05456787 56 0.14992897 -0.02277905 -0.16822998 Ba 3.38061102 6.82409929 3.40255072 56 0.21896564 -0.06055642 0.12382160 Ba 0.01989989 10.08691436 3.42311525 56 -0.14320608 0.08538461 0.12054052 Ba 6.86223931 6.73305640 -0.00894226 56 -0.00524193 0.04779836 -0.05911438 Ba 10.16847263 10.25923728 -0.00427159 56 -0.02183794 -0.07515005 -0.08081733 Ba 10.24696100 6.85936261 3.39522177 56 -0.06573132 0.01122501 0.19611542 Ba 6.74721363 10.20370190 3.37914902 56 0.07698009 -0.08896245 0.19752619 Ba 13.53018712 6.84464558 -0.02211381 56 -0.10690350 -0.01788072 -0.11350050 Ba 16.93511271 10.26948354 -0.05773225 56 0.09737151 -0.03495648 -0.07991442 Ba 16.96673415 6.73860497 3.34494073 56 0.09169422 0.07835207 0.18687155 Ba 13.65572348 10.22570115 3.36601906 56 -0.21919487 -0.03915075 0.24327820 Ba 0.05705375 13.52531439 0.04956430 56 -0.11271458 -0.07479832 -0.09679145 Ba 3.44106234 17.00115779 -0.00344875 56 0.09345702 0.08342899 -0.07087252 Ba 3.43832411 13.52079004 3.36318709 56 0.11694433 -0.05930614 0.23256921 Ba -0.00726700 17.04237119 3.40559897 56 -0.06517404 0.06107251 0.09005628 Ba 6.85768251 13.61590357 0.06409787 56 -0.03534876 -0.11105605 -0.14976834 Ba 10.22813959 17.01824766 0.03639209 56 -0.03589390 0.10447779 -0.10589981 Ba 10.15603474 13.55364660 3.37431772 56 0.03827214 -0.13599434 0.25542388 Ba 6.87492634 17.03957375 3.44986160 56 -0.03092813 0.08754462 0.12618901 Ba 13.52011191 13.61842404 0.00116665 56 -0.09113795 -0.10458836 -0.14937145 Ba 16.97914245 17.00011593 0.03141424 56 0.03686963 0.05566121 -0.05479554 Ba 16.91755089 13.63656650 3.38627658 56 0.16058840 -0.13661011 0.13162808 Ba 13.52393950 17.00029679 3.43010654 56 -0.09831752 0.13142439 0.13150726 Ba -0.03185799 -0.06498794 6.75011647 56 -0.04797612 -0.05383695 0.07918168 Ba 3.46298069 3.36621361 6.78860397 56 0.07972980 0.21043901 0.08061324 Ba 3.49250749 -0.05352106 10.26547811 56 -0.01728653 -0.09409906 -0.07452088 Ba -0.05804094 3.39418161 10.18711644 56 -0.03593019 0.12933558 -0.06465497 Ba 6.74132667 -0.03818462 6.83332708 56 0.09373134 -0.06821394 -0.02561415 Ba 10.22021913 3.40504582 6.76193070 56 -0.09032356 0.18864117 0.06626513 Ba 10.19877640 0.04578916 10.19531331 56 -0.00193739 -0.07382708 -0.04690439 Ba 6.72597458 3.37348468 10.20273645 56 0.12520843 0.26455733 -0.07788994 Ba 13.59449486 -0.01123779 6.72880372 56 -0.14231721 -0.10025364 0.04279814 Ba 17.01220931 3.35023317 6.82687975 56 0.07109852 0.17395772 -0.02703389 Ba 17.00527745 -0.03691101 10.08818419 56 0.03471276 -0.07046541 0.06193782 Ba 13.56115913 3.45536080 10.21223989 56 -0.16524820 0.09567378 -0.04329799 Ba 0.03661102 6.81489235 6.72695402 56 -0.07974637 -0.05895515 0.11823607 Ba 3.37509059 10.14458830 6.78309750 56 0.23215973 0.05318264 0.05055738 Ba 3.45506834 6.85586097 10.22358081 56 0.13518758 -0.03975920 -0.10191282 Ba 0.04833675 10.20488549 10.13384334 56 -0.09905275 -0.03044012 0.01519263 Ba 6.79408160 6.85544968 6.80123122 56 0.04934442 -0.03146379 0.01031569 Ba 10.12469308 10.26119308 6.73620752 56 0.06936471 -0.05337634 0.04106411 Ba 10.14588437 6.85290183 10.18668945 56 -0.04696263 -0.06236292 -0.04268133 Ba 6.83183910 10.17449702 10.14730806 56 -0.02912502 0.01364138 0.03370679 Ba 13.53349384 6.83327203 6.85929330 56 -0.12578642 0.04053171 -0.02711178 Ba 16.95340266 10.25595005 6.87675731 56 0.07293562 -0.09934995 -0.05552149 Ba 17.04970430 6.73800202 10.14506637 56 0.04315276 0.08809495 -0.00350730 Ba 13.53723622 10.20792305 10.23212478 56 -0.12808116 -0.05114258 -0.05202419 Ba 0.02703509 13.61607132 6.83983705 56 -0.07861714 -0.16350968 -0.05544944 Ba 3.41369783 16.99549415 6.81724434 56 0.16957036 0.07358822 -0.03649360 Ba 3.45439470 13.57009141 10.25838733 56 0.16493862 -0.20047373 -0.06802046 Ba 0.06684444 17.01387963 10.09210565 56 -0.09954510 0.09170232 0.05224770 Ba 6.78179024 13.57017386 6.78948466 56 0.00415071 -0.14916651 0.04413962 Ba 10.20943287 16.96392402 6.85358980 56 -0.04790193 0.05147355 0.01163028 Ba 10.21361992 13.53958023 10.20644535 56 -0.06738935 -0.12428150 -0.03129111 Ba 6.78933919 16.99225162 10.22160807 56 0.04943795 0.06108506 -0.05466740 Ba 13.63698669 13.62754714 6.85769582 56 -0.27645478 -0.25534532 -0.05166744 Ba 16.95183681 16.94319249 6.84297144 56 0.13313339 0.13905049 -0.04200586 Ba 17.04931551 13.58992518 10.14337806 56 0.09549015 -0.14236678 0.08347914 Ba 13.61831691 16.95631835 10.13461818 56 -0.17337802 0.12382219 0.07728664 Ba 0.03259027 0.04986260 13.64279464 56 -0.12582390 -0.11735550 -0.15302670 Ba 3.39434244 3.45648813 13.53237440 56 0.13656375 0.12355811 -0.11511484 Ba 3.33294071 0.01959931 16.95907185 56 0.16781101 -0.09429810 0.10988434 Ba -0.01393589 3.38715327 17.00679088 56 -0.10735897 0.13600217 0.09760093 Ba 6.78375086 0.01891540 13.53429008 56 0.01162134 -0.13327854 -0.07325317 Ba 10.12865819 3.38093687 13.60280314 56 0.03963556 0.20347005 -0.20289517 Ba 10.08200051 -0.05732181 16.95448814 56 0.02674571 -0.07765766 0.09701791 Ba 6.82336098 3.38745371 16.92870118 56 -0.02778531 0.11474406 0.14854734 Ba 13.56294007 0.00571002 13.65277778 56 -0.09911969 -0.11467442 -0.19441211 Ba 17.01972068 3.43819976 13.54694209 56 0.12299885 0.07204201 -0.12541056 Ba 16.97088762 0.05300971 16.94938608 56 0.09611431 -0.07824284 0.06479951 Ba 13.63542743 3.36302697 17.01428965 56 -0.20733345 0.15366933 0.12514465 Ba 0.05438444 6.82419600 13.58615347 56 -0.14637455 -0.01407978 -0.13267738 Ba 3.36419200 10.11995515 13.59987805 56 0.26481525 0.05347621 -0.17211388 Ba 3.41489520 6.74308209 17.04152620 56 0.11334754 0.02887341 0.11432865 Ba 0.02126384 10.20651708 16.95700715 56 -0.11190288 -0.03992793 0.10317319 Ba 6.76202416 6.75900873 13.63400388 56 0.04543640 0.08589464 -0.23463615 Ba 10.16093164 10.12902244 13.53007646 56 -0.03984391 0.02007173 -0.10523053 Ba 10.16456780 6.83399349 16.92530622 56 0.01828007 -0.01308401 0.10534033 Ba 6.77457585 10.18357764 17.04836544 56 0.01273663 -0.02675397 0.03368386 Ba 13.55655247 6.73962135 13.56514132 56 -0.15312132 0.05678418 -0.16806507 Ba 16.96550139 10.19268365 13.57231334 56 0.09137191 -0.02145915 -0.16322024 Ba 16.93837095 6.82118782 16.95680915 56 0.09897668 0.00413685 0.09024503 Ba 13.58805613 10.19209135 16.96850125 56 -0.17465970 0.00272370 0.09246988 Ba 0.00044610 13.61702732 13.57515744 56 -0.13145641 -0.11911304 -0.14401898 Ba 3.42427687 16.99152694 13.56691673 56 0.10011604 0.12645535 -0.06525941 Ba 3.36258729 13.52237108 16.99748786 56 0.16034769 -0.03340004 0.10595912 Ba -0.05242654 17.03667284 16.96525344 56 -0.02064009 0.03342648 0.03831597 Ba 6.83247989 13.60097736 13.59929988 56 -0.03196292 -0.22914292 -0.18085824 Ba 10.16372435 17.03140516 13.60735562 56 0.04366889 0.10674767 -0.16257623 Ba 10.08179280 13.59735495 16.93690102 56 0.06780404 -0.15845853 0.12334785 Ba 6.83272503 17.04076831 17.01243691 56 -0.04912260 0.06980359 0.08053748 Ba 13.54022773 13.59535845 13.60956283 56 -0.13573188 -0.15471311 -0.17389590 Ba 16.95744438 16.95807243 13.57393776 56 0.10028156 0.09556785 -0.09572396 Ba 17.00937454 13.56882641 17.00939102 56 0.10295688 -0.10197387 0.08503730 Ba 13.64052434 16.96380679 17.04826951 56 -0.13539667 0.08472484 0.08979876