16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-86.9619820989 stress="-0.7948741208427373 0.28221617085380357 -0.42419067627608903 0.28221617085380357 -0.8442426041042921 0.19976829529435494 -0.42419067627608903 0.19976829529435494 -0.6881114476499638" pbc="F F F" W 0.11042859 0.20947124 -0.14487149 -5.92501382 -4.34493131 -5.75016496 W 1.55280714 1.33633033 1.25353857 -0.10658833 4.55245863 4.06908603 W 3.05348345 -0.17769156 -0.08950840 -2.13708464 -5.12224012 -4.30124213 W 4.22286420 1.43858073 1.25205420 10.48652972 -2.42972609 7.47397273 W -0.01685896 3.19091019 -0.19759005 1.30202038 -1.20222817 1.78796324 W 1.66431082 4.31425730 1.74964821 -6.83983045 10.82143498 -7.90357732 W 3.03277713 2.89971974 -0.12633864 -4.32178703 6.66935641 -6.49376757 W 4.47291425 4.53446056 1.68245890 -0.82055240 -1.29064650 -1.47175555 W -0.23283931 0.19410236 2.83096497 -2.56641449 -3.12416514 -2.79083309 W 1.38201197 1.43300593 4.22002482 8.37481620 -12.16590788 22.56272575 W 2.77696427 -0.08338442 3.00908693 4.20188605 -5.35636405 -2.97969515 W 4.49508741 1.79391194 4.00844225 9.79518113 -7.94138817 6.14733061 W 0.02103145 2.77761356 3.18220204 -15.43677523 14.23978937 -12.56335457 W 1.41393876 4.61544634 4.40595290 1.73592722 -0.43881274 0.23118208 W 2.77538150 2.70296332 2.84887301 3.45552984 4.45661379 0.28373990 W 4.47296369 4.28984966 4.21860543 -1.19784415 2.67675699 1.69838999