32 Lattice="14.005765191546681 0.0 0.0 0.0 14.005765191546681 0.0 0.0 0.0 14.005765191546681" Properties=species:S:1:pos:R:3:forces:R:3 energy=-22.296319527712487 stress="-0.5707029144665244 0.021640588008063427 -0.27983970510851686 0.021640588008063427 -0.6564274542367095 -0.028498195658355208 -0.27983970510851686 -0.028498195658355208 -0.7839445625295138" pbc="F F F" Ba -0.05851599 0.01176579 0.03452655 0.01620770 0.00652431 0.00949074 Ba 3.49728655 3.55246549 0.04842383 0.08158707 0.05017672 -0.05739905 Ba 3.53516703 0.03870781 3.55182176 0.03971429 -0.05133773 0.05492746 Ba 0.01883086 3.54401609 3.52720735 -0.03892089 0.08764912 0.11607660 Ba 6.99526883 0.00082400 0.04443070 -0.08211642 -0.03632257 -0.07184973 Ba 10.53600251 3.55896503 -0.02338133 0.03664856 0.05440964 -0.05527547 Ba 10.46873467 0.02342409 3.45105456 0.06059116 -0.06178554 0.08978475 Ba 7.06731469 3.47618873 3.43716480 -0.17259513 0.15589531 0.18211567 Ba -0.01067053 6.98606064 0.04418492 -0.04282482 -0.05888962 -0.04031770 Ba 3.48752171 10.47154516 0.02639214 0.06594553 0.04955790 -0.06270928 Ba 3.54135813 7.04346049 3.52686861 0.08351363 -0.17882628 0.15585372 Ba 0.03349851 10.51243948 3.51773872 -0.05743925 0.03749081 0.06392808 Ba 6.96835646 6.99936112 0.05763807 -0.07897038 -0.08230336 -0.09253555 Ba 10.51908514 10.44728327 0.06990511 0.01042131 0.03283170 -0.03477466 Ba 10.46274920 7.01910626 3.43931942 0.06048896 -0.10099000 0.15852051 Ba 6.95122148 10.51782845 3.48990461 -0.05831611 0.06595141 0.12185275 Ba -0.02102764 0.06094959 7.03819150 -0.06093410 -0.07941357 -0.13268138 Ba 3.51187975 3.45542417 7.06991597 0.11497896 0.22293582 -0.18624511 Ba 3.43956586 0.05251688 10.44571902 0.11565935 -0.07378680 0.08968471 Ba -0.04541819 3.43764872 10.43492510 -0.04395527 0.14699011 0.07416707 Ba 6.93787069 0.04234565 6.98936072 -0.03808947 -0.05525293 -0.08516407 Ba 10.55514897 3.47620899 6.93887324 0.02926611 0.11473971 -0.08511020 Ba 10.41103955 0.06381124 10.43969322 0.02821162 -0.03149176 0.02438151 Ba 7.02359168 3.55120889 10.52312946 -0.10395634 0.07464535 0.04750800 Ba 0.00958131 7.07015005 7.06850196 -0.03675504 -0.14897469 -0.12685362 Ba 3.45696501 10.53965472 6.98860074 0.13774622 0.05386101 -0.08543583 Ba 3.54181445 7.05239366 10.53600476 0.04702886 -0.14698002 0.04258802 Ba 0.05339172 10.49209539 10.46761866 -0.03001177 0.04079452 0.04670822 Ba 6.97579457 6.95825854 6.99649009 -0.09239313 -0.10008473 -0.13506528 Ba 10.51388827 10.48559182 6.99182842 0.01093015 0.02180236 -0.07470918 Ba 10.54262202 6.95623875 10.47263599 0.02683706 -0.05104979 0.02603333 Ba 6.94508884 10.47862623 10.49223713 -0.02849844 0.04123356 0.02250498