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=-88.87594610198455 stress="-0.00022662391756319487 0.000282058391885303 -0.00010685619059150477 0.000282058391885303 -0.00029087839754158326 6.862136254796502e-05 -0.00010685619059150477 6.862136254796502e-05 -0.00024770833859966726" pbc="F F F" W 20.94650740 21.13361991 20.83424595 -0.17914469 0.67112290 0.74990009 W 22.41049160 22.22286420 22.69084821 -4.32027813 4.65770451 -7.63882531 W 23.75205420 21.15488783 21.05988540 -0.35602389 -3.72531213 -4.09346453 W 25.20245745 22.66431082 22.31425730 15.18229163 -12.55582914 12.28712425 W 20.95276062 24.03277713 20.94368475 0.35238403 -2.71002641 -0.24754178 W 22.37366136 25.46097674 22.35455449 1.86524688 -0.05114450 2.40667851 W 24.21813893 23.76716069 21.19410236 -14.31879293 9.98228175 -15.42517221 W 25.33096497 25.38201197 22.43300593 2.81478860 4.34096732 2.06736429 W 20.72002482 20.77696427 24.12040895 1.57374371 1.35168596 -0.79163043 W 22.70366788 22.49508741 25.79391194 -0.05168106 0.77464962 -2.12399886 W 23.72614529 21.02103145 23.77761356 7.00876867 -6.33053944 7.69075428 W 25.68220204 22.39362841 25.73573857 -2.52403818 1.82844180 -2.28379357 W 21.02724172 23.55767845 23.70296332 -4.08980150 4.96805253 4.52921852 W 22.36918336 25.72083292 25.47730310 1.71171597 -2.89476922 -1.98648983 W 23.98735431 23.94314902 23.90698366 -2.51456583 1.40160492 6.67125573 W 25.68107110 25.32825321 25.63102478 -2.15461329 -1.70889048 -1.81137915