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=-24.373858738715715 stress="0.0007267193281049672 1.710121518717983e-05 -2.5874565374445282e-05 1.710121518717983e-05 0.0006999299042076571 3.631426467992516e-05 -2.5874565374445282e-05 3.631426467992516e-05 0.000659534748052855" free_energy=-24.373858738715715 pbc="F F F" H 20.86136659 21.05835534 20.74645637 0.78426575 0.77431474 0.63678144 H 22.48193431 22.42001865 21.20070203 -0.78843474 0.05329184 2.57981140 H 22.20342959 20.90085166 22.79771202 -0.78593166 1.86455587 0.87434727 H 21.28187239 22.51001192 22.48453339 2.63997714 -0.29229818 -1.11808129 H 24.28713925 20.87793365 20.71904386 0.35525173 0.83742918 0.79614504 H 25.50082602 22.74624097 21.14302402 -1.70714562 0.71212809 1.78515331 H 25.35498893 21.11042859 22.70947124 -2.80096617 1.17385813 1.20993961 H 23.85512851 22.50741656 22.41333883 0.55472017 -0.11820659 -0.53731561 H 20.84655491 23.87241235 20.82230844 1.40946824 0.01380379 0.97320163 H 22.48377097 25.22286420 20.93858073 1.11443269 -1.68887478 1.66008365 H 22.25205420 24.15488783 22.75978263 -0.68764774 0.92756798 1.65203721 H 20.70245745 25.66431082 22.44386929 0.94388404 -1.22531368 0.39351078 H 23.98844065 24.03277713 20.89971974 0.28242732 1.24393376 1.48017372 H 25.37366136 25.46097674 20.78219307 -1.49868046 -1.05221918 0.61658695 H 25.71813893 23.76716069 22.69410236 -1.71985765 -1.15381791 1.63471770 H 23.83096497 25.38201197 22.30726452 -1.53208169 -1.71027479 -0.40476007 H 20.72002482 20.77696427 24.07381965 2.44413446 0.61466632 0.06963245 H 22.46512192 22.72586561 24.29391194 -0.99289038 0.33971006 1.09836900 H 22.22614529 21.02103145 25.27761356 -2.04107807 2.59560107 -1.14786263 H 21.18220204 22.39362841 25.73573857 2.42633005 -1.16804927 -1.75962266 H 24.02724172 20.77538150 23.70296332 1.32709857 1.32187485 -1.68648049 H 25.34887301 22.72083292 23.78984966 -1.36516958 1.71477621 -1.57451427 H 25.48735431 20.92299150 25.40698366 -1.52208924 1.32454290 -0.32047513 H 24.18107110 22.32825321 25.63102478 2.23180142 0.78240203 -1.01680910 H 21.09995250 24.26120756 24.01193751 2.22732318 1.10149502 -0.13435517 H 22.75226748 25.46431997 23.80961347 0.52598335 -2.44442161 -1.32079527 H 22.45743743 24.20379337 25.73854596 -0.48094816 0.97949569 -1.49192284 H 20.76922180 25.28229695 25.52031036 1.41125263 -1.68643171 -1.33229362 H 24.18745344 24.02015752 23.87970777 1.43503054 -0.52804824 -0.76309490 H 25.77711528 25.37871118 23.75213077 -0.85693410 -1.79730186 -0.81660665 H 25.23125112 23.71824351 25.63616082 -1.97597482 -1.93502911 -1.34673334 H 23.76429260 25.62968218 25.71980528 -1.35755119 -1.57516065 -0.68876812