32 Lattice="54.68035697937012 0.0 0.0 0.0 54.68035697937012 0.0 0.0 0.0 54.68035697937012" Properties=species:S:1:pos:R:3:forces:R:3 energy=-70.76353332328314 stress="-0.0016689897077645393 -0.00041262079382964724 0.00026336830431314705 -0.00041262079382964724 -0.0015346944367917235 5.2164353043376276e-05 0.00026336830431314705 5.2164353043376276e-05 -0.0014703342862163605" pbc="F F F" In 27.30321328 27.51060628 27.25217497 0.91991229 -1.60192672 -1.49980125 In 29.30866182 29.49977764 27.24389478 -7.42875014 -7.19575683 2.39463402 In 29.20132752 27.45469759 29.50269226 -7.93692963 -6.22951238 -22.08831261 In 27.20176784 29.20055464 29.27714314 -0.92895516 6.56133337 -1.32843579 In 31.24451068 27.43180226 27.35422173 -2.52085432 0.95997516 -0.28847342 In 33.29112375 29.35313181 27.43996124 1.70243615 -4.36478098 -4.62131512 In 32.95271132 27.46389289 29.40350419 12.14607586 -5.76242650 -4.94042498 In 31.39168966 29.49709437 29.44214270 -9.88818293 2.11373353 -2.46149468 In 27.39113501 31.49205627 27.31277863 -9.88928521 -11.84376806 0.10853043 In 29.11423910 33.22077288 27.35486168 13.14728384 8.83372703 -1.37971444 In 29.28188527 31.27037232 29.53710180 6.96994338 -15.97637051 -27.53813368 In 27.46901818 33.20043819 29.41104914 -9.24647105 8.45880406 -7.33188384 In 31.21631543 31.08463312 27.27954710 5.20500321 9.74858911 -1.09973382 In 33.39551262 33.29491320 27.16778377 -1.44501688 -1.17569091 1.04331744 In 33.17312976 31.25503224 29.14895323 5.84258308 6.85553440 2.84807286 In 31.02959926 32.99450349 29.42531050 11.09779047 16.56620619 -14.21926387 In 27.35764416 27.51422739 31.29465172 -9.55030303 -9.00917146 3.49753106 In 29.17329739 29.25483362 31.27488758 2.52973067 19.20477761 0.25904859 In 29.55328114 27.45951234 32.97243635 -6.70948473 -8.02855640 15.27096652 In 27.14371229 29.25776883 33.27958337 1.46583712 2.79221648 0.82031508 In 31.06214029 27.54144541 31.01517619 17.44348367 -7.67851938 13.53675097 In 33.36385718 29.20233348 31.45293862 3.72243404 7.02787786 -12.51560734 In 33.11725036 27.40319944 33.14701734 -1.56581186 -7.95498081 6.33488095 In 31.30982462 29.45694335 33.02387950 -8.36743486 -6.19005801 4.04944259 In 27.47557563 31.28432143 31.06044450 -25.22697930 -11.85550955 18.69613293 In 29.17875705 33.13603156 31.24540913 10.64401653 15.98152830 5.94554522 In 29.30685423 31.28855294 33.19124125 -9.90823539 -11.71716686 4.11219205 In 27.39588905 33.10366065 32.99634382 -8.40350325 3.11653777 7.67500896 In 31.09778320 31.42705992 31.31088165 6.67149584 -19.18942858 1.59128579 In 33.19242264 32.89817590 31.19847309 4.20905074 6.87609490 0.24137499 In 33.12671500 31.16025908 33.18001533 7.13705997 6.25915025 5.20931716 In 31.08165549 33.00764366 33.23340836 8.16206088 14.41753794 7.67824721