32 Lattice="85.16857147216797 0.0 0.0 0.0 85.16857147216797 0.0 0.0 0.0 85.16857147216797" Properties=species:S:1:pos:R:3:forces:R:3 energy=-19.19728573919046 stress="-3.81148946734619e-05 1.6950646114863317e-06 -6.833491688457768e-08 1.6950646114863317e-06 -3.771245206307136e-05 -1.1580433046586413e-06 -6.833491688457768e-08 -1.1580433046586413e-06 -3.8733124364988377e-05" free_energy=-19.19728573919046 pbc="F F F" Sr 42.46378998 42.67691473 42.67632670 -0.15906846 -0.26088413 -0.29309302 Sr 45.82876501 45.46888252 42.44956504 -0.15603312 0.52314084 -0.22141498 Sr 45.44960039 42.44686720 45.76469003 0.20316877 -0.28247132 0.08840442 Sr 42.39939225 45.64167781 45.48297420 -0.28696819 0.15502894 0.20543680 Sr 48.33449725 42.55007590 42.75311399 0.29190223 -0.53018721 -0.21990981 Sr 51.76369090 45.38323663 42.47220416 0.16934519 0.20102355 -0.26862688 Sr 51.53284498 42.76992810 45.78089024 0.62021249 -0.76820627 -0.59396216 Sr 48.82077855 45.78920310 45.71819081 -0.70142742 -0.04246996 0.01486042 Sr 42.80894744 48.81464040 42.46263972 -0.40227078 -0.39776574 -0.56249643 Sr 45.72251946 51.70288257 42.71178766 0.13288747 0.51890971 -0.53508327 Sr 45.45442070 48.63254395 45.55812174 0.63835418 -0.50618237 0.12792674 Sr 42.54919687 51.61637051 45.43470046 -0.39812715 0.64596253 0.21479598 Sr 48.82757695 48.81688445 42.82712633 -0.39632266 -0.49782475 -0.92698100 Sr 51.80495115 51.73660300 42.70849148 0.24286593 0.33692263 -0.21645891 Sr 51.52691670 48.75616591 45.59772041 0.97504331 -0.39387999 0.20523793 Sr 48.50607200 51.56080314 45.63736708 -0.01670999 0.81934828 0.30463738 Sr 42.46094161 42.56401525 48.72050452 -0.50721826 -0.32261042 -0.25308486 Sr 45.57389912 45.44141091 48.66318369 0.33127206 0.54265211 -0.12115052 Sr 45.49374393 42.45212490 51.55672430 0.39405487 -0.37994769 0.34330853 Sr 42.51750569 45.41265832 51.78510571 -0.25263353 0.43843524 0.23869894 Sr 48.89458815 42.52913012 48.52868339 -0.62451105 -0.41035046 0.36018384 Sr 51.92597873 45.39762470 48.48862791 0.47385485 0.75683619 0.36431923 Sr 51.86253746 42.75335843 51.77901758 0.19362935 -0.23739845 0.20371081 Sr 48.74659037 45.58276588 51.89361058 -0.35840327 0.16605658 0.11643516 Sr 42.77738195 48.81934119 48.33004237 -0.63276088 -0.41516640 0.46301020 Sr 45.80284754 51.64686794 48.77601067 -0.11934516 0.67217123 -0.42778755 Sr 45.44452418 48.90340677 51.76123982 0.30973767 -0.98940475 0.36769246 Sr 42.69564289 51.56534767 51.76811007 -0.53243462 0.45408613 0.15564146 Sr 48.70819240 48.71336762 48.59743070 -0.41452487 -0.56443874 0.05844296 Sr 51.82333661 51.63015677 48.46616922 0.25929457 0.50817640 0.03469958 Sr 51.54173154 48.75977076 51.51561991 0.55275685 -0.30118764 0.35292907 Sr 48.53053383 51.49406178 51.78125322 0.17037961 0.56162591 0.41967752