32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=733.6805762446556 stress="-0.0221513102701913 -0.00031602718140024696 -0.00013875460240238621 -0.00031602718140024696 -0.021470888600761864 -0.0014445753048581932 -0.00013875460240238621 -0.0014445753048581932 -0.02262829277544021" free_energy=733.6805762446556 pbc="F F F" Sm 21.28187239 21.01001192 20.98453339 -38.87827212 -32.93300179 -23.58980168 Sm 22.60170120 22.37793365 20.71904386 -27.32398450 -4.40248104 -68.88837744 Sm 22.38590202 21.24624097 22.64302402 -27.15032269 -122.06538836 -67.03475361 Sm 20.85498893 22.61042859 22.70947124 -58.15692316 -26.02912627 -31.11326402 Sm 23.85512851 21.05280714 20.91333883 21.74454019 -50.31948656 -26.06765296 Sm 25.34655491 22.67009689 20.82230844 46.90986079 -12.27104730 -17.80189235 Sm 25.41049160 20.72286420 22.42131763 31.53352834 -17.85915343 -13.66682953 Sm 23.75205420 22.51554449 22.55988540 107.52099757 16.23471963 -43.05324489 Sm 20.70245745 24.33520694 20.81425730 -35.64010006 -5.24794413 -32.79188165 Sm 22.48844065 25.53277713 20.89971974 -25.11316619 36.92142186 -60.23776017 Sm 22.34377260 23.66317992 21.99975193 -26.52065826 28.31560031 17.32714024 Sm 21.21813893 25.26716069 22.54951666 -39.19226850 38.04753897 8.73753602 Sm 23.83096497 23.78118345 20.93300593 22.20417482 22.47335828 -48.92788403 Sm 25.22002482 25.27696427 20.91661558 37.45886580 24.47766037 -37.61023106 Sm 25.46512192 24.48821900 22.79391194 25.69841710 -37.39427343 -27.69098476 Sm 23.72614529 25.52103145 22.12599452 21.71784976 41.86514433 27.59305448 Sm 21.18220204 20.89362841 24.23573857 -82.09377628 -64.09366397 -42.40504279 Sm 22.73729526 22.27538150 23.70296332 -19.30061892 57.81571175 124.56589087 Sm 22.34887301 21.22083292 25.28984966 68.45187609 -37.72480829 83.58246477 Sm 20.98735431 22.42299150 25.40698366 -47.60808997 18.98199171 49.83333403 Sm 24.39318841 20.82825321 24.08071169 -7.48441737 -34.69371005 10.53467391 Sm 25.59995250 22.76120756 24.30788424 33.62962367 -15.15712773 -37.06748954 Sm 25.75226748 21.12142457 25.54396501 24.73330421 -21.91102436 28.14347747 Sm 24.07236142 22.70379337 25.73854596 17.55877395 -39.76620090 52.55125018 Sm 20.76922180 23.78229695 24.02031036 -34.04436949 34.73462383 19.51899109 Sm 22.68745344 25.52015752 23.87013631 -68.06592502 78.83272166 -15.57159252 Sm 22.77711528 23.73558317 25.25213077 -89.31087358 -4.13297287 76.22409684 Sm 20.70789525 25.21824351 25.63616082 -10.43178142 15.62601643 16.73805604 Sm 23.76429260 24.37091118 24.21980528 90.33433686 -49.42451514 -74.74210879 Sm 25.79977655 25.68543805 23.97662236 31.84892488 53.11437120 29.35587808 Sm 25.57327937 24.01624071 25.62961200 33.57019521 31.55420399 44.81780029 Sm 23.87425859 25.65720406 25.26564846 21.40027830 76.43084128 78.73714749