32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=1053.93818294 pbc="F F F" Ba -0.11090311 0.13714415 0.07420351 56 -33.54244015 -27.11845710 -39.24339678 Ba 1.61543713 1.06703166 0.13708343 56 -5.07870430 5.57689870 -44.76537890 Ba 1.06120567 -0.10654689 1.38687053 56 5.78235032 -51.72875159 3.12697553 Ba -0.02117016 1.22221844 1.22919618 56 -47.04565658 16.08308201 4.31828103 Ba 2.87472952 0.24082058 0.21260583 56 10.95136047 -37.44481770 -29.77024997 Ba 4.56504129 1.19319283 -0.03279668 56 33.57179655 -0.73052785 -34.06316494 Ba 4.28802619 0.10070449 1.40488763 56 26.92266061 -38.54467341 -3.14612409 Ba 3.18445412 1.94206018 1.78987411 56 3.95781192 -24.13495260 4.82328871 Ba 0.12458298 3.28669092 0.06349603 56 -30.40861452 -7.38932270 -42.74868441 Ba 1.56509191 4.49207130 0.20580945 56 -6.90315785 39.50664773 -39.75599917 Ba 1.45182199 2.80430149 1.29093393 56 -15.63892089 -5.18614244 -4.20565451 Ba -0.21979820 4.38825682 1.18090763 56 -36.94561305 34.95587114 4.47900087 Ba 3.19178619 2.90181938 0.22998944 56 6.87459771 -3.48848485 -57.75993522 Ba 4.61455359 4.53253581 -0.09889890 56 22.44548084 21.04939755 -23.67316918 Ba 4.28091226 3.26098076 1.52592538 56 55.55537161 5.21042925 -7.71334463 Ba 2.80598025 4.32157598 1.21607343 56 9.66117333 51.45617907 -10.54873474 Ba 0.01629788 -0.03588394 3.09607640 56 -44.31254227 -34.98181508 -4.31618429 Ba 1.33717416 1.15212994 2.95549102 56 3.63575958 8.12181892 -1.95233449 Ba 1.12346127 0.05954592 4.31668137 56 12.99513807 -46.77166347 35.30848874 Ba 0.11396630 1.07493044 4.59073906 56 -42.58685200 15.63631397 37.04551826 Ba 3.15421160 -0.13318082 3.13132919 56 2.89884527 -35.82449274 6.94109150 Ba 4.75978669 1.22592512 2.78504734 56 40.74240193 -1.07139136 14.16160407 Ba 4.68365717 -0.07708795 4.58343331 56 17.13394557 -13.30054931 20.51354751 Ba 2.57281830 1.36471012 4.72094491 56 16.78326629 -3.44272148 36.54767098 Ba 0.19683737 3.40776889 2.82183498 56 -39.20495854 2.28387563 6.91037289 Ba 2.00610447 4.42485375 2.85605195 56 -19.94125469 55.41770653 7.12286725 Ba 1.30323595 3.06039553 4.56210000 56 -7.25573495 -8.98794075 34.35699793 Ba 0.31583063 4.32702941 4.57034430 56 -29.69245892 31.39588054 23.49316091 Ba 2.94215314 3.29047356 2.91561068 56 7.04308382 -9.23967305 18.87671956 Ba 4.63661615 4.40480033 2.87719504 56 38.26318798 37.44208549 8.40489935 Ba 4.29869006 3.13766048 4.26735611 56 34.93785199 -7.63945586 34.86425867 Ba 2.83533445 4.24148635 4.58611608 56 8.40082487 32.88964683 42.36761159