32 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=407.10853938551486 stress="-0.005909491945071112 -2.8306853210675935e-05 -2.1721163581996057e-05 -2.8306853210675935e-05 -0.00564298047315367 3.3862477974382433e-05 -2.1721163581996057e-05 3.3862477974382433e-05 -0.00588127340058765" pbc="F F F" K 20.85540510 21.11115480 21.11044915 -7.84727396 -7.59357703 -8.43699404 K 22.70960170 22.31143450 20.83833517 -1.87296321 -2.93640390 -13.92969721 K 22.28829595 20.83509776 22.64041416 -1.57294489 -13.39904735 -3.02691462 K 20.77812781 22.55248065 22.32834452 -13.57860431 -0.60065788 -1.75946628 K 23.87679405 20.95894820 21.20259391 2.00665082 -12.04529907 -9.51913630 K 25.56504129 22.20865944 20.86550211 9.92392462 -2.59603569 -11.09080989 K 25.28802619 21.22277084 22.68584377 10.10155426 -13.11422339 -5.06955914 K 24.20961746 22.69581920 22.64685009 2.15437274 -5.12961683 -3.50767413 K 21.26959405 23.89955883 20.85402479 -9.20582130 2.10911946 -12.65565418 K 22.70996341 25.49207130 21.15300231 -3.95057879 12.52662672 -12.54113180 K 22.53848316 23.92150095 22.41852158 -5.56649301 0.73969198 -2.97462719 K 20.95789336 25.38825682 22.27041603 -11.56479136 10.57955239 -2.38675924 K 24.19178619 24.08479061 21.29140871 3.50089362 0.54643101 -16.95749726 K 25.61455359 25.53253581 21.14904689 9.20864944 8.64726612 -8.00849728 K 25.28091226 24.10609294 22.46603997 16.40310607 2.75974163 -2.01238371 K 23.80598025 25.32157598 22.26921314 2.42853800 16.36860127 -0.53280164 K 20.85198705 20.97567541 23.76508399 -11.58208718 -9.18525369 2.62874720 K 22.43745442 22.27846858 23.99451428 -4.43466162 -2.30241859 3.81673530 K 22.64001646 20.84140700 25.31668137 -2.39173440 -11.59584182 9.96725609 K 20.91986395 22.01687518 25.59073906 -9.30825518 -1.39857458 9.46905512 K 24.15310149 20.93381326 24.13132919 2.15954027 -13.76664141 3.51402375 K 25.75978669 22.08729172 23.78504734 15.80329851 -1.03742738 4.36637637 K 25.68365717 21.20288723 25.58343331 7.87212270 -5.77989204 8.87504287 K 23.79585403 22.44809454 25.72094491 1.73188952 -1.54228529 14.29413218 K 21.23171545 24.18190327 23.82183498 -13.79783437 1.86405098 2.93855058 K 22.71219253 25.42485375 24.12990665 -1.97069958 15.19815980 1.27379886 K 22.28220450 24.34113732 25.56210000 -3.20207082 -1.30272518 13.14093187 K 21.13362859 25.32702941 25.57034430 -10.81527209 8.61522387 7.84600337 K 24.04852473 23.80119136 23.91561068 2.60527958 2.14511358 6.26692623 K 25.63661615 25.40480033 23.87719504 10.95323857 11.14568159 2.97642399 K 25.29869006 24.09235307 25.26735611 11.53094807 1.67756998 11.06236975 K 23.83533445 25.24148635 25.58611608 4.27807929 10.40309072 11.97323039