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=-8.32545898849508 stress="7.476368146492034e-05 -3.0050795848558088e-05 5.207165673438678e-05 -3.0050795848558088e-05 6.442011256353079e-05 4.1448089440615945e-05 5.207165673438678e-05 4.1448089440615945e-05 7.059619037983748e-05" pbc="F F F" H 21.06210000 21.13362859 20.82702941 0.33081122 0.25974784 0.30563302 H 22.62315143 22.54852473 22.46807382 -0.33036405 0.08315133 0.64062815 H 23.76216559 21.13661615 20.90480033 -0.14866832 0.22163784 0.27714522 H 25.24960740 22.29869006 22.61041876 -0.13716639 0.54694902 -0.16518429 H 20.76735611 23.65764289 20.74148635 0.52654709 -0.10578886 0.43809406 H 22.49660768 25.53369179 22.24885356 0.16241124 -0.63593979 0.27356732 H 23.66187722 23.71580856 20.90583543 0.13336781 0.11204467 0.22323586 H 25.25559716 25.20178472 22.79874826 1.70788275 1.85350683 -2.14786609 H 20.77290972 20.88090187 24.01625442 0.47189707 0.43096255 -0.20759206 H 22.61824075 22.24645637 25.48193431 0.14878749 0.31158257 -0.58427937 H 23.92001865 20.90315948 23.70342959 -0.45596127 0.14242528 0.15534517 H 25.40085166 22.66224630 25.78187239 -0.40614821 0.17786463 -0.47903624 H 21.01001192 23.98453339 24.10170120 0.25729392 -0.48885028 -0.56872262 H 22.37793365 25.03330116 25.50082602 0.56819121 -0.10013042 -0.10058392 H 24.24624097 24.14302402 23.85498893 -2.54258381 -2.46976714 2.18941984 H 25.61042859 25.70947124 25.35512851 -0.28629774 -0.33939606 -0.24980406