16 Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=802.9733489881031 stress="-0.15553112707238684 -0.011570347034673507 -0.010384520083007357 -0.011570347034673507 -0.16468398662620343 -0.006758042915360889 -0.010384520083007357 -0.006758042915360889 -0.1569364162450143" free_energy=802.9733489881031 pbc="F F F" C 10.45525223 10.39016040 10.47640297 -29.44033047 -45.64842495 -36.52615367 C 10.99114677 10.97736499 11.50278033 -33.49810693 18.15126606 -135.36298660 Si 12.25009490 10.38382773 10.46970286 3.68425045 -145.21981279 -100.42171676 C 13.04489863 11.18381024 10.98677887 131.11498083 -53.18398302 -23.59380969 C 10.51683428 12.08796387 10.28902040 -157.11711316 -24.51143265 -120.28995529 Si 10.98155877 12.67113482 10.97960620 -107.81985230 275.22210148 -3.99707307 Si 11.88477302 12.06194135 10.37455773 37.68668179 -53.45861109 -286.58875144 Si 12.65855725 12.50979631 10.97707537 237.28926536 242.86871377 -70.20413990 C 10.55114214 10.54997140 11.96055881 -200.73005919 -139.47042366 90.75837552 C 11.16062519 11.15555385 13.03055862 -62.56295581 -14.93803167 105.33461598 Si 11.72950407 10.29998375 12.23232047 135.70040071 -220.64361920 71.25679887 C 12.89379487 11.49140249 12.98672153 61.14571405 -122.80979310 85.75440044 C 10.74741067 11.84011987 11.82180296 -144.55485433 -15.33244542 33.15812898 Si 11.50912702 12.49222034 12.60844045 -99.24435037 216.08238294 224.67987235 Si 12.19291102 11.72817044 11.84268038 104.59072963 -90.92240146 78.46959996 Si 12.94673490 12.59323236 12.92171396 123.75559973 173.81451478 87.57279433