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=17.7108688462 stress="-0.43535724255147007 -0.039842019790583126 -0.06546157186291131 -0.039842019790583126 -0.5085296412093108 -0.037549584856125966 -0.06546157186291131 -0.037549584856125966 -0.5101869042535891" pbc="F F F" F -0.06796678 -0.24786923 -0.26874888 -0.58352978 -1.12734604 -1.08009921 F 1.10260825 1.63616082 1.26429260 1.18585240 -4.93066646 0.81973070 F 3.36078906 0.21980528 0.29977655 -1.86688239 -4.58591688 -3.16377700 F 4.68543805 1.45276964 1.58611212 5.67091309 0.27318192 1.55266916 F 0.19989723 3.12961200 -0.12574141 -3.73470592 1.60603839 -5.58810808 F 1.65720406 4.26564846 1.38507600 0.29788476 7.62633181 -2.69064440 F 3.49839795 2.81131727 -0.13934333 -0.38895486 1.04057825 -4.95876266 F 4.67089611 4.47011124 1.34941126 2.48807604 2.91951077 -0.28717985 F -0.28244114 -0.14458569 2.98859492 -0.96434738 -0.96333619 0.55193621 F 1.76235339 1.30544521 4.71005355 -2.09457658 0.46266777 3.04788485 F 3.21211731 -0.05031310 3.29594673 -0.20487132 -4.23439604 -0.78941857 F 4.65710459 1.76602835 4.35687199 2.61586679 -0.91511306 2.61427022 F -0.02335587 3.24122900 2.73523006 -5.72961870 -0.36882701 2.43173934 F 1.31634348 4.42534241 4.48566276 0.18745456 2.23089138 3.00533411 F 2.81443107 3.04376171 2.72051529 2.06004838 -1.70940184 3.05131405 F 4.69273990 4.30722932 4.26172667 1.06139092 2.67580325 1.48311114