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:Z:I:1:forces:R:3 energy=-68.94251011898086 pbc="F F F" Rg -0.19188652 0.02759435 0.09964314 111 2.99588075 3.03588138 2.36468021 Rg 1.41762123 1.77570636 1.16324562 111 0.94052741 -16.47852036 10.88716259 Rg 3.09375236 -0.28486273 -0.23642172 111 -1.06615166 4.57405769 3.66964933 Rg 4.38956388 1.64504633 1.36614192 111 -0.58996821 3.77288127 -0.23601188 Rg 0.09457544 3.20439057 0.01976833 111 -0.93267331 4.94497559 -1.04736607 Rg 1.89669091 4.74089876 1.22128210 111 1.18003389 -7.81633637 2.18530126 Rg 2.93421962 2.81785661 -0.06739212 111 5.77572088 8.23816777 -5.57941184 Rg 4.48154581 4.20791012 1.30788625 111 -5.08683329 -3.71515738 2.26125887 Rg 0.17661605 0.10576935 3.24194622 111 2.53204815 3.31891058 -3.23079228 Rg 1.66739062 1.20664120 4.79027304 111 3.96560423 3.22048854 -5.01240230 Rg 3.26610387 0.29640563 2.86576110 111 -8.46490841 -0.01441908 -0.05669239 Rg 4.46866222 1.25496854 4.62034776 111 -2.08033263 4.70660459 0.07691525 Rg 0.46785920 2.98106741 2.88299666 111 3.39414167 1.63057692 2.90126198 Rg 1.67554903 4.51019167 4.46264536 111 -4.96305637 3.83947447 3.29849948 Rg 3.07826943 3.21411706 3.29943997 111 -5.82227880 -20.83632764 -21.40983642 Rg 4.41463005 4.36307593 4.59084729 111 8.22224572 7.57874202 8.92778420