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=-8.325458988495074 stress="5.539091632373019 -2.226403362828009 3.857884904137268 -2.226403362828009 4.772757299606861 3.0708060504763686 3.857884904137268 3.0708060504763686 5.230330552861385" pbc="F F F" H 0.06210000 0.13362859 -0.17297059 0.33081122 0.25974784 0.30563302 H 1.62315143 1.54852473 1.46807382 -0.33036405 0.08315133 0.64062815 H 2.76216559 0.13661615 -0.09519967 -0.14866832 0.22163784 0.27714522 H 4.24960740 1.29869006 1.61041876 -0.13716639 0.54694902 -0.16518429 H -0.23264389 2.65764289 -0.25851365 0.52654709 -0.10578886 0.43809406 H 1.49660768 4.53369179 1.24885356 0.16241124 -0.63593979 0.27356732 H 2.66187722 2.71580856 -0.09416457 0.13336781 0.11204467 0.22323586 H 4.25559716 4.20178472 1.79874826 1.70788275 1.85350683 -2.14786609 H -0.22709028 -0.11909813 3.01625442 0.47189707 0.43096255 -0.20759206 H 1.61824075 1.24645637 4.48193431 0.14878749 0.31158257 -0.58427937 H 2.92001865 -0.09684052 2.70342959 -0.45596127 0.14242528 0.15534517 H 4.40085166 1.66224630 4.78187239 -0.40614821 0.17786463 -0.47903624 H 0.01001192 2.98453339 3.10170120 0.25729392 -0.48885028 -0.56872262 H 1.37793365 4.03330116 4.50082602 0.56819121 -0.10013042 -0.10058392 H 3.24624097 3.14302402 2.85498893 -2.54258381 -2.46976714 2.18941984 H 4.61042859 4.70947124 4.35512851 -0.28629774 -0.33939606 -0.24980406