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=-32.8689088172167 stress="-0.0003551466403693616 1.5833181116762398e-05 7.331840495046405e-05 1.5833181116762398e-05 -0.00033253880740304135 -1.681258605844048e-05 7.331840495046405e-05 -1.681258605844048e-05 -0.0004410730657555481" pbc="F F F" As 20.91870436 21.04860922 21.20118821 0.43972379 0.41778165 0.07397400 As 22.70960170 22.31143450 22.61053479 0.71309618 1.78482163 -4.71004074 As 23.78829595 20.83509776 21.14041416 0.05526629 -0.99741700 -0.85580698 As 25.27812781 22.45260211 22.45967371 1.75061413 0.55059892 -0.78714977 As 20.87679405 23.95894820 21.46238060 -1.26923429 -1.05487513 -0.23798525 As 22.56504129 25.20865944 22.36550211 -5.00568503 5.45061842 1.76940146 As 23.78802619 24.22277084 21.18584377 4.77814134 -2.33761806 -5.78519238 As 25.40955323 25.48086654 22.64685009 0.76546143 0.37796275 0.06015091 As 21.45325122 21.37914956 23.93745809 -4.48236713 -3.70666654 1.20194328 As 22.50581744 22.44016584 25.47483729 1.91614162 -1.00090893 4.63716376 As 24.25067569 20.95774659 23.91852158 0.64706506 -2.84585910 0.92901507 As 25.38274711 22.38825682 25.40032268 0.05736807 0.85392270 0.28897951 As 21.19178619 23.96115968 24.57419069 -2.33381744 2.07411755 -0.13853056 As 22.61455359 25.59463582 25.64904689 0.23633334 0.74046821 0.70057631 As 23.78091226 24.23972153 23.96603997 1.35668134 -0.58901338 2.41585264 As 25.13300966 25.39192028 25.56214071 0.37521129 0.28206632 0.43764875