16 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=-86.96198209894439 stress="-0.0011201230509252573 0.0003976942134964085 -0.0005977622645214134 0.0003976942134964085 -0.001189692275335102 0.00028151007377873557 -0.0005977622645214134 0.00028151007377873557 -0.0009696749131813422" free_energy=-86.96198209894439 pbc="F F F" W 21.11042859 21.20947124 20.85512851 -5.92501382 -4.34493131 -5.75016496 W 22.55280714 22.33633033 22.25353857 -0.10658833 4.55245863 4.06908603 W 24.05348345 20.82230844 20.91049160 -2.13708464 -5.12224012 -4.30124213 W 25.22286420 22.43858073 22.25205420 10.48652972 -2.42972609 7.47397273 W 20.98314104 24.19091019 20.80240995 1.30202038 -1.20222817 1.78796324 W 22.66431082 25.31425730 22.74964821 -6.83983045 10.82143498 -7.90357732 W 24.03277713 23.89971974 20.87366136 -4.32178703 6.66935641 -6.49376757 W 25.47291425 25.53446056 22.68245890 -0.82055240 -1.29064650 -1.47175555 W 20.76716069 21.19410236 23.83096497 -2.56641449 -3.12416514 -2.79083309 W 22.38201197 22.43300593 25.22002482 8.37481620 -12.16590788 22.56272575 W 23.77696427 20.91661558 24.00908693 4.20188605 -5.35636405 -2.97969515 W 25.49508741 22.79391194 25.00844225 9.79518113 -7.94138817 6.14733061 W 21.02103145 23.77761356 24.18220204 -15.43677523 14.23978937 -12.56335457 W 22.41393876 25.61544634 25.40595290 1.73592722 -0.43881274 0.23118208 W 23.77538150 23.70296332 23.84887301 3.45552984 4.45661379 0.28373990 W 25.47296369 25.28984966 25.21860543 -1.19784415 2.67675699 1.69838999