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=-101.07781078933711 stress="-0.0009500725406868002 0.0010508792217315194 0.0006954277007925639 0.0010508792217315194 -0.0002504587891556457 -0.001081314046030675 0.0006954277007925639 -0.001081314046030675 0.00044474683990806577" pbc="F F F" Ds 20.88194055 21.24854685 21.05685681 5.20231218 4.64977521 5.53328955 Ds 22.40947481 22.72632890 22.75174221 37.22485955 -77.33339910 -79.74418773 Ds 23.90350030 21.18702762 21.28813124 -1.63599289 5.78333293 5.71408919 Ds 25.60770798 22.79974846 22.74917156 10.46305865 -10.73977315 -10.49298025 Ds 21.16293399 24.27345743 20.84870899 5.40377018 -4.08290430 7.59654597 Ds 22.76349838 25.70356235 22.96218721 -4.21673246 2.78221302 -4.67820682 Ds 24.26620382 23.82836776 20.73216068 -3.82669778 -1.55582783 9.56034153 Ds 25.50677545 25.57560591 22.42508911 -6.44706885 -7.12617786 4.05571815 Ds 21.02840789 21.06847701 23.85540166 0.28600379 0.33208101 1.64101804 Ds 22.36693828 22.90670748 25.78183415 2.46552028 -1.08505226 -9.07558336 Ds 24.12893068 20.70852644 24.03709530 -3.48100359 9.69902927 -4.50359203 Ds 25.39534648 22.49094077 25.45656574 -3.52677350 2.52095938 -3.99981095 Ds 20.98902898 23.95046521 23.75652559 -58.33617139 54.55464908 46.00871431 Ds 22.76479667 25.44550217 25.74637182 2.97364679 -3.58883409 -7.77581531 Ds 23.91498783 23.85557723 23.90096739 23.65890504 30.54569029 44.87284970 Ds 25.61582901 25.60851111 25.16624811 -6.20763600 -5.35576160 -4.71239000