32 Lattice="12.8665618896 0.0 0.0 0.0 12.8665618896 0.0 0.0 0.0 12.8665618896" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-17.552917807 pbc="F F F" Ba -0.09241926 0.11428679 0.06183626 56 -0.28231775 -0.26464370 -0.33019288 Ba 3.31283808 3.05950256 0.11423619 56 0.00081449 0.43035599 -0.53931431 Ba 3.04022043 -0.08878908 3.12236591 56 0.16030089 -0.49684036 0.46396307 Ba -0.01764180 3.23229785 3.07359424 56 -0.50270756 0.25561048 0.14006666 Ba 6.08346731 -0.11683345 0.16710781 56 0.25243102 -0.42526783 -0.37637415 Ba 9.70412249 2.97385667 0.12281208 56 0.34684784 0.16600370 -0.53940876 Ba 9.47327658 0.19398563 3.35862144 56 0.54585304 -0.80345122 -0.30068832 Ba 6.67105537 3.27810118 3.10488543 56 -0.61615930 0.04890832 0.45318645 Ba 0.22535006 6.78536703 -0.00245933 56 -0.36663203 -0.56779665 -0.51475151 Ba 3.27076742 9.64331416 0.21952575 56 0.18311818 0.52417715 -0.62566470 Ba 3.42326914 6.27734352 3.14874179 56 -0.11665927 -0.34802640 0.15949588 Ba 0.00891708 9.55680210 3.02532050 56 -0.38675162 0.47764016 0.42687774 Ba 6.52088513 6.45453935 0.13651755 56 -0.12217788 -0.16101267 -0.78313752 Ba 9.74538274 9.67703460 -0.02387056 56 0.08836123 0.17357929 -0.07254167 Ba 9.46734830 6.44710139 3.18834045 56 0.66155415 0.04477263 0.21648363 Ba 6.04065132 9.50123473 3.22798712 56 0.60587648 0.75699885 0.06232617 Ba -0.17452685 0.10880270 6.53593484 56 -0.38398128 -0.36493408 -0.31538804 Ba 3.16451916 3.03203095 6.18075739 56 0.44784992 0.27681786 0.05755833 Ba 3.08436397 0.00476485 9.49715589 56 0.23923165 -0.46963439 0.25832140 Ba -0.07641284 3.00327836 9.72553730 56 -0.27182892 0.39972551 0.27416826 Ba 6.68742824 -0.08767501 6.36121617 56 -0.53950586 -0.32873335 0.15709385 Ba 9.86641033 2.98824474 6.25415373 56 0.31485914 0.62295560 0.20121173 Ba 9.80296906 0.35085513 9.71944917 56 0.12026495 -0.15768324 0.26972812 Ba 6.06912655 3.17338592 9.83404218 56 0.09410104 0.18272425 0.09837924 Ba 0.35484818 6.44400448 6.18648673 56 -0.55277081 -0.20522672 0.08481729 Ba 3.33763919 9.58729954 6.30822384 56 -0.22837014 0.60584617 0.13445772 Ba 3.03514422 6.48306948 9.70167142 56 0.19162649 -0.38283582 0.28825497 Ba 0.04187014 9.50577926 9.70854167 56 -0.26349992 0.26365173 0.08851877 Ba 6.44465315 6.66711478 6.36295651 56 -0.17938221 -0.78888008 0.03842825 Ba 9.76376821 9.57058836 6.57587010 56 0.25447054 0.41114607 -0.23616340 Ba 9.48216313 6.29708433 9.45605151 56 0.33479679 -0.29873557 0.37143590 Ba 6.29605965 9.43449338 9.72168482 56 -0.02961331 0.42278830 0.38885183