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=4864.9973818783255 stress="-0.2640662674438037 -0.037878678984820204 0.012977926805479182 -0.037878678984820204 -0.3126047173922401 -0.07608640005397425 0.012977926805479182 -0.07608640005397425 -0.2629927165423912" pbc="F F F" Sm 21.10857479 21.18651049 21.06462008 -495.09830487 -928.11544413 -652.32765241 Sm 22.27309899 22.77396039 22.43043471 1776.12725008 -320.93973261 1088.76506723 Sm 24.28692156 20.98223080 21.15524924 -1186.07079328 -1774.80668074 -2216.61196569 Sm 25.25106427 22.30410940 22.64755544 4362.61105151 -913.79894653 -1085.74236460 Sm 20.83417677 23.83620473 21.02936572 -1529.30948407 1052.50975393 -1433.48624032 Sm 22.45561107 25.48989226 22.31862541 -996.12379880 1367.54500832 848.12956765 Sm 23.97411574 24.25556648 21.09661421 1009.17749267 -750.06442168 -1597.55671518 Sm 25.67998663 25.27361386 22.74699340 2083.54961921 1992.01350035 -1129.66066874 Sm 21.17008104 21.25355045 23.98562250 -836.52863178 -821.45623279 338.53929834 Sm 22.99673633 22.40714273 25.32448922 -462.53718298 460.84117140 1328.35869206 Sm 23.88885939 20.79597625 23.80060286 -301.18926157 -1780.49017616 269.72655113 Sm 25.65780746 22.62223549 25.67894478 337.76598875 -136.43881487 227.64271179 Sm 20.87411710 24.01647840 24.26693269 -1754.84385035 -825.92222550 -606.28713643 Sm 22.51422862 25.26308427 25.23518192 1283.96499730 1285.18603951 1037.92681874 Sm 24.27257803 23.86572827 23.72706782 -3390.12018818 1915.43201628 3366.60914105 Sm 25.51680051 25.52466075 25.54708430 98.62509636 178.50518521 215.97489539