32 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=249.5648924620991 stress="-322.8191713619352 -0.8567334206126276 -0.9736459145209828 -0.8567334206126276 -301.9938627619808 -0.40362583538836816 -0.9736459145209828 -0.40362583538836816 -323.59049375766597" pbc="F F F" Na -0.14459490 0.11115480 0.11044915 -5.50276504 -5.78445895 -7.67437719 Na 1.70960170 1.34512630 -0.16166483 -2.27365623 -0.32501120 -10.74416999 Na 1.31428531 -0.16490224 1.64041416 -0.29304653 -10.33192220 -2.16990550 Na -0.22187219 1.24208535 1.29209888 -9.44691990 2.81429166 -1.09511679 Na 2.78262948 -0.04105180 0.20259391 1.50354376 -9.12035490 -6.81134318 Na 4.56504129 0.96425659 -0.13449789 6.85354603 -1.16403335 -7.71202803 Na 4.28802619 0.22277084 1.68584377 6.67003349 -9.70544571 -3.39059836 Na 2.88541283 1.69581920 1.64685009 0.76078614 -4.68223252 -2.08486096 Na 0.26959405 3.47501059 -0.14597521 -6.83222895 -1.90299967 -10.58291568 Na 1.70996341 4.49207130 0.15300231 0.39254420 9.93158934 -9.01599611 Na 1.53848316 2.95774659 1.41852158 -5.38733792 -0.79566251 -2.04850878 Na -0.04210664 4.38825682 1.04332575 -9.42358135 8.32517748 1.54191236 Na 3.19178619 3.05985705 0.29140871 2.55464402 0.19229239 -13.63686635 Na 4.61455359 4.53253581 0.14904689 6.19805862 5.95459303 -5.53019985 Na 4.28091226 2.96745953 1.46603997 13.35749828 0.42596389 -2.13907155 Na 2.80598025 4.32157598 1.57197133 2.25054918 12.96650006 -0.46307377 Na -0.14801295 -0.02432459 2.80975564 -9.28024986 -6.68128151 2.49202304 Na 1.43745442 1.26040289 2.99451428 -2.58352850 -0.34033576 2.76509243 Na 1.26128685 -0.15859300 4.31668137 -0.93033110 -8.06205778 8.07410265 Na -0.08013605 1.44466750 4.59073906 -7.21405444 -0.58813697 6.65371154 Na 2.97562921 -0.06618674 3.13132919 1.80064864 -9.91907554 3.44185857 Na 4.75978669 1.12677679 2.78504734 11.17056436 -0.08303130 3.13197391 Na 4.68365717 0.20288723 4.58343331 4.60612944 -4.39177752 6.14631274 Na 2.79378950 1.72996693 4.72094491 0.41879936 -3.20424318 10.36193119 Na 0.23171545 3.19191519 2.82183498 -10.81873032 0.69166859 0.56645971 Na 1.71219253 4.42485375 3.11444005 -2.23735150 11.89317051 0.65482333 Na 1.28220450 3.28278197 4.56210000 -1.71729751 -1.92892541 9.62038743 Na 0.13362859 4.32702941 4.57034430 -8.56488470 7.28035058 5.53561750 Na 3.15022594 2.93266864 2.91561068 1.74796004 0.77254221 4.22911942 Na 4.63661615 4.40480033 2.87719504 8.60402934 8.32102236 2.34561018 Na 4.29869006 2.82946262 4.26735611 9.62384990 1.12786879 8.30242476 Na 2.83533445 4.24148635 4.58611608 3.99277905 8.31395508 9.23567135