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:forces:R:3 energy=733.6805762446562 stress="-1641.1462752979344 -23.413821815581287 -10.280050982786577 -23.413821815581287 -1590.7351946532483 -107.02569518633595 -10.280050982786577 -107.02569518633595 -1676.484955146812" pbc="F F F" Sm 0.28187239 0.01001192 -0.01546661 -38.87827212 -32.93300179 -23.58980168 Sm 1.60170120 1.37793365 -0.28095614 -27.32398450 -4.40248104 -68.88837744 Sm 1.38590202 0.24624097 1.64302402 -27.15032269 -122.06538836 -67.03475361 Sm -0.14501107 1.61042859 1.70947124 -58.15692316 -26.02912627 -31.11326402 Sm 2.85512851 0.05280714 -0.08666117 21.74454019 -50.31948656 -26.06765296 Sm 4.34655491 1.67009689 -0.17769156 46.90986079 -12.27104730 -17.80189235 Sm 4.41049160 -0.27713580 1.42131763 31.53352834 -17.85915343 -13.66682953 Sm 2.75205420 1.51554449 1.55988540 107.52099757 16.23471963 -43.05324489 Sm -0.29754255 3.33520694 -0.18574270 -35.64010006 -5.24794413 -32.79188165 Sm 1.48844065 4.53277713 -0.10028026 -25.11316619 36.92142186 -60.23776017 Sm 1.34377260 2.66317992 0.99975193 -26.52065826 28.31560031 17.32714024 Sm 0.21813893 4.26716069 1.54951666 -39.19226850 38.04753897 8.73753602 Sm 2.83096497 2.78118345 -0.06699407 22.20417482 22.47335828 -48.92788403 Sm 4.22002482 4.27696427 -0.08338442 37.45886580 24.47766037 -37.61023106 Sm 4.46512192 3.48821900 1.79391194 25.69841710 -37.39427343 -27.69098476 Sm 2.72614529 4.52103145 1.12599452 21.71784976 41.86514433 27.59305448 Sm 0.18220204 -0.10637159 3.23573857 -82.09377628 -64.09366397 -42.40504279 Sm 1.73729526 1.27538150 2.70296332 -19.30061892 57.81571175 124.56589087 Sm 1.34887301 0.22083292 4.28984966 68.45187609 -37.72480829 83.58246477 Sm -0.01264569 1.42299150 4.40698366 -47.60808997 18.98199171 49.83333403 Sm 3.39318841 -0.17174679 3.08071169 -7.48441737 -34.69371005 10.53467391 Sm 4.59995250 1.76120756 3.30788424 33.62962367 -15.15712773 -37.06748954 Sm 4.75226748 0.12142457 4.54396501 24.73330421 -21.91102436 28.14347747 Sm 3.07236142 1.70379337 4.73854596 17.55877395 -39.76620090 52.55125018 Sm -0.23077820 2.78229695 3.02031036 -34.04436949 34.73462383 19.51899109 Sm 1.68745344 4.52015752 2.87013631 -68.06592502 78.83272166 -15.57159252 Sm 1.77711528 2.73558317 4.25213077 -89.31087358 -4.13297287 76.22409684 Sm -0.29210475 4.21824351 4.63616082 -10.43178142 15.62601643 16.73805604 Sm 2.76429260 3.37091118 3.21980528 90.33433686 -49.42451514 -74.74210879 Sm 4.79977655 4.68543805 2.97662236 31.84892488 53.11437120 29.35587808 Sm 4.57327937 3.01624071 4.62961200 33.57019521 31.55420399 44.81780029 Sm 2.87425859 4.65720406 4.26564846 21.40027830 76.43084128 78.73714749