16 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=4864.997381878329 stress="-19564.141622376563 -2806.355568627354 961.5086411643388 -2806.355568627354 -23160.25830215633 -5637.089207198789 961.5086411643388 -5637.089207198789 -19484.604383192698" pbc="F F F" Sm 0.10857479 0.18651049 0.06462008 -495.09830487 -928.11544413 -652.32765241 Sm 1.27309899 1.77396039 1.43043471 1776.12725008 -320.93973261 1088.76506723 Sm 3.28692156 -0.01776920 0.15524924 -1186.07079328 -1774.80668074 -2216.61196569 Sm 4.25106427 1.30410940 1.64755544 4362.61105151 -913.79894653 -1085.74236460 Sm -0.16582323 2.83620473 0.02936572 -1529.30948407 1052.50975393 -1433.48624032 Sm 1.45561107 4.48989226 1.31862541 -996.12379880 1367.54500832 848.12956765 Sm 2.97411574 3.25556648 0.09661421 1009.17749267 -750.06442168 -1597.55671518 Sm 4.67998663 4.27361386 1.74699340 2083.54961921 1992.01350035 -1129.66066874 Sm 0.17008104 0.25355045 2.98562250 -836.52863178 -821.45623279 338.53929834 Sm 1.99673633 1.40714273 4.32448922 -462.53718298 460.84117140 1328.35869206 Sm 2.88885939 -0.20402375 2.80060286 -301.18926157 -1780.49017616 269.72655113 Sm 4.65780746 1.62223549 4.67894478 337.76598875 -136.43881487 227.64271179 Sm -0.12588290 3.01647840 3.26693269 -1754.84385035 -825.92222550 -606.28713643 Sm 1.51422862 4.26308427 4.23518192 1283.96499730 1285.18603951 1037.92681874 Sm 3.27257803 2.86572827 2.72706782 -3390.12018818 1915.43201628 3366.60914105 Sm 4.51680051 4.52466075 4.54708430 98.62509636 178.50518521 215.97489539