64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=801.119838747 pbc="F F F" Ba 0.22086729 -0.01689004 -0.22903346 56 -15.90568917 -9.36731418 -18.99809355 Ba 1.15142137 0.46613003 0.98055861 56 7.25575001 -0.32159959 13.46800533 Ba 2.37409462 2.22516294 -0.15882206 56 -0.37028117 0.39685744 -12.40783578 Ba 3.38021302 3.78131475 1.18004449 56 -2.87989084 2.49852709 -14.99841406 Ba 2.66099888 0.43120791 3.14671993 56 -24.72231126 -14.21769019 -14.39688801 Ba 3.85840215 0.68878143 3.64796913 56 25.86119060 -0.79599836 4.33047110 Ba -0.02012763 3.08730472 2.60017060 56 -14.61463379 -3.49703870 -5.75821224 Ba 1.81805361 4.07636534 3.60416425 56 -24.40569992 5.96364266 -2.81687848 Ba 5.25778342 0.78991145 -0.27206385 56 -11.82780313 -12.93396634 -11.69819774 Ba 6.36770013 1.52161235 1.45518925 56 5.67035895 -10.67601515 5.87160261 Ba 7.06781057 1.95884241 -0.30384491 56 13.72093663 5.07056556 -19.15892221 Ba 8.67982227 3.56376137 1.30461569 56 17.61745845 -5.87356503 -10.80662523 Ba 7.56694525 0.64834788 3.33921004 56 -5.30181325 -20.12671731 -12.78600004 Ba 8.94092265 1.22037119 4.49165603 56 35.33701970 -22.72001793 2.55229921 Ba 4.89669475 2.66086913 2.20485326 56 -5.63217039 -2.77685147 -2.41233478 Ba 5.92663375 3.41370018 3.77269330 56 3.28592131 1.30914425 10.45037531 Ba 0.15536010 4.99614724 -0.20059542 56 -15.11311318 -11.35589887 -17.62300910 Ba 1.02132805 5.85688556 0.93157558 56 -0.24671781 3.60195960 13.02585409 Ba 2.30838317 7.23567833 0.01570212 56 -2.88053418 -1.55125727 -20.08255139 Ba 3.29515545 8.32327578 1.00410956 56 -3.54398617 18.07148629 -4.42948198 Ba 3.04253611 4.69696332 3.10406013 56 2.61428576 4.64569943 -11.23995301 Ba 4.18297782 5.79320854 3.38867926 56 10.36876081 15.99420520 -5.22159225 Ba 0.32748320 8.17266772 2.35335612 56 -10.80183188 2.24824404 -8.08872337 Ba 1.15510351 8.66349090 4.11824152 56 -0.16562413 11.28133206 5.48983354 Ba 5.53523149 5.23161253 0.16239131 56 -2.66370684 -4.73330910 -20.47346383 Ba 6.12568277 6.12475624 1.82878517 56 3.95812491 3.97170763 3.12679922 Ba 6.78042048 7.97130329 0.44323553 56 0.38708520 7.13726461 -11.75219374 Ba 8.97271432 8.46171569 1.02098422 56 9.57617256 3.76517217 0.34878006 Ba 7.58087455 4.64480772 2.35935114 56 2.48629930 2.52477715 4.32143663 Ba 8.97769358 6.09201764 3.54532507 56 12.63481644 2.73173409 3.67295345 Ba 4.66448343 8.10988539 2.11226018 56 3.15951794 9.74184929 1.96402074 Ba 5.73296780 8.31914392 3.88000816 56 -0.80641728 15.50473595 1.88022165 Ba 0.16419793 0.07367197 4.04841791 56 -10.79162391 -8.39917751 -1.50400418 Ba 1.13897766 1.35282927 5.84266193 56 -11.22003673 -5.98480907 7.79046644 Ba 2.00297454 2.83783955 4.62151619 56 -1.90644483 -12.33054368 6.69802294 Ba 3.27194644 3.06977099 6.34725891 56 6.74836022 -3.64160170 5.30951345 Ba 2.27802779 -0.10292202 7.36669775 56 -3.21963833 -10.16038895 6.27241416 Ba 4.49856870 0.99626033 8.58475277 56 -16.93739169 -28.52078593 24.19018799 Ba 0.41072149 3.40165215 7.83367529 56 -29.23379321 -15.13753408 -5.99804218 Ba 1.55551756 4.10085723 8.54655608 56 -0.73137277 -5.41591090 35.14752640 Ba 4.75257737 0.16856255 5.50111129 56 -9.56968816 -16.76776759 -0.37337559 Ba 6.24557120 1.00831489 6.06757618 56 1.97837258 12.46751295 -5.77775081 Ba 8.07532085 2.35507302 4.64447015 56 -9.61842312 20.98185382 -1.13085975 Ba 8.60556472 3.49425818 6.03735392 56 9.50911071 12.36302220 14.02356541 Ba 7.20384740 -0.00748189 7.03810700 56 13.78055752 -19.84657808 11.23020750 Ba 8.64763455 0.94681348 9.00814638 56 4.98613482 1.21298018 5.90264613 Ba 5.11136494 2.00409575 8.04888059 56 13.79876759 24.63020823 -5.39767833 Ba 5.94042883 4.10706905 8.80462855 56 4.94096074 -5.83236751 10.17347094 Ba -0.28602843 5.10415488 4.93422581 56 -16.01795167 -3.51920310 -2.68693464 Ba 0.95888789 6.52743460 5.86193449 56 -1.73674715 -0.16842706 -0.67269830 Ba 3.25650983 7.16272899 5.25575148 56 -12.10785475 -16.78788960 -12.90811297 Ba 3.63834321 8.28337470 5.87827378 56 5.33165901 38.06110347 15.05057881 Ba 2.36102597 4.94186987 7.71469832 56 13.45143057 20.30867076 -9.57357590 Ba 4.41216746 5.79357549 8.78505241 56 -5.48338904 4.70535747 15.58737813 Ba 0.04200871 7.80367007 7.32271401 56 -15.28124470 3.33909496 4.56745043 Ba 1.64289762 8.79540286 8.37563583 56 6.27127160 7.81037986 9.13120125 Ba 4.50493887 4.93176006 5.24335814 56 -1.95270931 -11.41199571 5.80844398 Ba 5.89974943 5.80664922 6.10002732 56 17.28892927 -8.76982401 -5.50517062 Ba 7.34497277 7.71608325 4.71375535 56 14.39593892 3.38033460 5.10949398 Ba 8.96837464 8.91658749 6.99939752 56 4.62775953 3.80254051 -0.65584757 Ba 7.51989586 5.70480081 7.92669675 56 3.20266283 -3.79789338 -4.56649993 Ba 8.82327501 6.31831907 9.08965562 56 14.21344172 4.01665767 12.63178659 Ba 5.30808722 7.11536967 7.13716159 56 -0.11516332 17.61669173 11.73376326 Ba 6.34803536 9.06242240 8.78359587 56 -0.65335916 6.28462441 5.03915081