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=-115.08004256509211 stress="0.002293055294159505 0.00010971992716652168 -1.4334269047580245e-06 0.00010971992716652168 0.002423662943485212 -1.8025757578712275e-05 -1.4334269047580245e-06 -1.8025757578712275e-05 0.0024761433353618126" pbc="F F F" P 21.07189921 20.90029271 21.13755068 3.04774084 4.16757281 5.70087562 P 22.34722715 22.21300743 22.25659733 3.61533311 5.23794826 3.46569742 P 23.91954018 21.17126073 20.80972083 -6.11804030 8.99271875 8.93606025 P 25.50404139 22.53025728 22.75839286 -11.75972853 1.97048250 3.35615491 P 20.80570744 23.74260381 21.23866880 9.32829147 -6.38923528 7.70024051 P 22.70129746 25.61183996 22.76253346 3.55105732 -12.66680046 7.00650708 P 23.70189553 23.81463811 20.84829188 -3.61820647 -6.53233309 11.77333364 P 25.65701010 25.32452500 22.62366693 -8.47357661 -8.07704743 5.31584919 P 20.82582947 20.83880696 23.70910317 8.07933024 8.54315965 -6.58796631 P 22.47978294 22.42146645 25.36573563 3.36005619 4.41385462 -13.39048904 P 24.02297767 20.97367547 23.89093209 -2.83664298 14.47148124 -3.29218699 P 25.29072628 22.77070154 25.69389960 -7.39482577 2.64386209 -10.10381838 P 21.09126930 23.72647238 23.97528329 13.96721145 -2.98766149 -2.79119482 P 22.51074939 25.32546958 25.20010179 2.18731255 -9.49390868 -12.12449435 P 24.12088739 23.89232484 23.80503018 -3.64862492 0.11528532 -0.57313041 P 25.74458202 25.79015547 25.49462006 -3.28668760 -4.40937879 -4.39143832