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=-8.61323309106 stress="-0.0529846538967325 0.22162924212057522 0.2732085193674075 0.22162924212057522 -0.34970458724485337 0.17967877099092358 0.2732085193674075 0.17967877099092358 -0.43641145791732455" pbc="F F F" P -0.08666117 -0.02242031 -0.12758765 2.50188586 -1.46454888 -2.59899073 In 1.32230844 1.41049160 1.32281670 -2.26379410 -2.86308280 -0.43700441 In 3.19978828 -0.24794580 0.15488783 0.71457845 -1.16218489 -1.86825935 P 4.57182292 1.20245745 1.66431082 0.78267745 -4.98981779 -7.79575795 P -0.18574270 2.98844065 0.03277713 2.92791000 3.44388655 2.51061779 In 1.39971974 4.37366136 1.71324422 5.64936051 11.21285933 -6.11068859 In 2.78219307 3.18245890 -0.23283931 3.02473577 0.87328142 -1.26755312 P 4.46332416 4.33096497 1.38201197 1.31251281 5.03095835 -4.08531447 P -0.06699407 -0.27997518 2.77696427 3.11129148 2.08793268 3.91090047 In 1.41661558 1.24741887 4.72586561 0.89744349 0.91880091 1.04979187 In 3.29391194 -0.25354435 3.02103145 1.36251633 -0.34265722 2.85003435 P 4.27761356 1.68220204 4.39362841 3.46477715 -5.37137118 10.10664904 In 0.23573857 3.21469515 2.77538150 -9.77492368 -6.24678277 6.43180050 P 1.20296332 4.36903053 4.60054069 -2.55858094 2.34697559 2.52399042 P 2.78984966 2.98735431 2.92299150 -9.93902983 -0.73982074 -3.31456123 In 4.40698366 4.68107110 4.32825321 -1.21336074 -2.73442856 -1.90565461