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=124.87364135091863 stress="-0.012106235243242882 0.0011179430674999801 -0.00011867933808657449 0.0011179430674999801 -0.012360694972189905 0.0011330304072003556 -0.00011867933808657449 0.0011330304072003556 -0.01206026029250941" free_energy=124.87364135091863 pbc="F F F" W 20.99793547 21.28187239 21.01001192 -18.27822384 -22.92821106 -21.75452080 W 22.48453339 22.60170120 20.87793365 23.28828677 -22.84987683 -32.76854630 W 22.21904386 21.00082602 22.74624097 18.68238228 -57.00286214 -18.44969061 W 21.14302402 22.35498893 22.61042859 -43.67667272 16.16682539 -12.59433165 W 24.20947124 20.85512851 21.05280714 -56.68581618 -25.42477150 -56.29388513 W 25.41333883 22.34655491 20.87241235 31.99162552 10.11853988 -16.39677411 W 25.32230844 20.91049160 22.22286420 63.50675066 -23.22487583 50.17313743 W 23.93858073 22.25205420 22.65488783 28.75266678 55.41480349 -77.91453701 W 21.05988540 23.70245745 21.16431082 -55.44562365 14.55418030 -35.39335492 W 22.31425730 25.48844065 21.03277713 13.94013144 19.56305392 -21.83206353 W 22.39971974 23.87366136 22.22662520 41.10336621 25.00156023 25.66840597 W 20.78219307 25.71813893 22.26716069 -18.36886048 9.55587183 9.97768625 W 24.19410236 23.71604098 20.88201197 -11.18529723 6.83391112 -13.40776125 W 25.43300593 25.22002482 20.77696427 18.07692920 15.09393853 -13.56635947 W 25.41661558 23.96512192 23.02355015 34.91979366 -19.21282776 -12.15587877 W 24.29391194 25.22614529 22.50376835 -27.66076774 27.06903155 -0.06440057 W 20.77761356 21.18220204 23.89362841 -31.30396360 -34.10835763 9.54062935 W 22.73573857 22.52724172 23.77538150 -28.65879979 20.64282239 48.27769067 W 22.06361999 20.84887301 25.69094416 17.06784084 -18.34687829 9.12101640 W 20.78984966 22.18955749 25.42299150 -17.87673281 25.78413112 22.49593087 W 23.90698366 21.18107110 23.82825321 10.56625131 -82.56885384 62.17255330 W 25.63102478 22.31751135 24.26120756 36.16971324 34.15958095 -48.09534331 W 25.51193751 21.25226748 25.46431997 13.07594804 -58.44779931 52.03908810 W 24.04396501 22.42777573 25.70379337 -21.92078691 -2.49969173 33.66280272 W 21.23854596 23.76922180 23.78229695 -28.88382273 13.94808467 8.65959668 W 22.41948184 25.68745344 24.02015752 10.63981670 24.42632819 -16.28884616 W 22.37970777 24.27711528 25.37871118 4.43157858 -19.12648519 30.87976176 W 20.75213077 25.23125112 25.21824351 -29.13222336 15.38002065 12.18602155 W 24.13616082 23.76429260 24.39203556 -13.01108281 11.09547050 -14.96044291 W 25.71980528 25.79977655 24.03381901 12.71752447 18.51487724 2.87523431 W 25.45460942 24.28333291 25.69989723 45.75338618 -19.09706077 20.06526010 W 24.12961200 25.37425859 25.65720406 -22.59531801 41.51551991 14.14192106