32 Lattice="33.16568565368652 0.0 0.0 0.0 33.16568565368652 0.0 0.0 0.0 33.16568565368652" Properties=species:S:1:pos:R:3:forces:R:3 energy=-13.686497743682628 stress="0.00038004766075567533 0.00013729234766143205 -0.000621857034876404 0.00013729234766143205 0.0003550312422305027 -0.00010702189832544554 -0.000621857034876404 -0.00010702189832544554 -6.758952628178587e-05" free_energy=-13.686497743682628 pbc="F F F" H 16.71712878 16.78600399 16.43262261 -0.81512349 -1.14926309 -1.10820595 H 17.75227686 17.86726150 16.75009452 -0.93299358 -1.04286222 -1.67260569 H 17.52018959 16.60822921 17.76561116 -4.39768829 1.54871224 2.17863612 H 16.81773648 17.77567487 17.75444276 1.93808141 -5.61291110 -0.65251864 H 18.93178687 16.61212426 16.59678316 0.47010957 0.09452806 0.10710905 H 20.12261158 17.85641297 16.84444293 0.07702920 1.25141316 0.53543537 H 20.01546659 16.67486665 17.94189097 -6.31370427 -5.04094809 3.96799215 H 18.83109413 17.78643025 17.69511396 -1.12880481 -0.99756549 -2.29450017 H 16.37094815 18.84549733 16.65339435 -2.06893400 0.39813837 -0.71055782 H 17.56639207 19.90536265 16.70670472 -10.49777275 4.41714172 1.85481873 H 17.73747453 19.08089356 17.77530852 5.64131569 6.35934393 -0.70281308 H 16.58151297 20.26525862 17.49327267 6.17986456 -2.23357074 -6.14333009 H 18.94218758 18.97913465 16.47981272 3.89149613 0.89656257 -1.44431011 H 20.03102695 20.10378976 16.60236122 -1.36552962 -1.66930058 -0.54798934 H 20.33643570 18.75778762 17.92908356 -0.40682394 -6.33114971 2.89599720 H 18.65791075 20.03798579 17.64928855 -1.42794463 -1.65980671 4.69616163 H 16.34953018 16.43344780 18.64942944 1.04380381 -0.40972732 -0.72474819 H 17.89888312 17.79491071 19.19674699 -1.19294884 -2.41935273 2.23457432 H 17.53911935 16.60036903 19.95098711 -2.79213077 6.83875080 0.30301032 H 16.73467786 17.67868861 20.33275796 3.66442122 -4.59162217 -1.80720884 H 18.97452180 16.39566074 18.70428981 7.67939527 1.33251087 -4.34700020 H 20.01036999 17.95135903 18.77669509 1.48858172 9.84062067 -3.48180947 H 20.12577107 16.51866908 19.86023443 -1.02838910 0.45153335 0.09892428 H 19.10271295 17.62420928 20.28993150 5.35431154 5.42040252 0.01892437 H 16.66613657 19.16949334 18.96176830 -2.33804248 3.01842050 5.76837339 H 17.97755450 20.10657579 18.89209516 0.61067740 2.43397539 1.21024531 H 17.82763279 19.12164818 20.33356429 2.74483539 4.13288555 -0.05950612 H 16.40122162 19.95488994 20.15323444 1.31043231 -3.07217137 -4.23088344 H 19.10803157 18.96861831 18.85157685 2.41298931 -2.75635838 2.06215354 H 20.22438885 20.15790853 18.81978222 -0.04277927 0.25381193 0.22331237 H 19.91235175 18.71702330 20.24977650 -4.38597513 -5.87078523 1.62225125 H 18.75539754 20.24437763 20.28370041 -3.37175954 -3.83135671 0.15006777