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=-3.6383024591291586 stress="1.2849791558917239e-05 7.904300232260766e-05 8.82474890432547e-05 7.904300232260766e-05 -4.291932960339215e-05 -4.594178103195356e-05 8.82474890432547e-05 -4.594178103195356e-05 -2.2809848358583617e-05" free_energy=-3.6383024591291586 pbc="F F F" N 20.76716069 21.19410236 20.83096497 0.03192884 -0.85638106 0.06374585 N 22.10025549 22.43300593 22.22002482 -1.03455473 -1.50681488 -2.39644752 N 23.91312509 21.04629776 21.18492720 0.69553328 -0.40546056 -0.45841387 N 25.68047504 22.79391194 22.29942466 -0.17549243 0.75798514 -0.22989874 N 21.02103145 23.77761356 21.38209927 0.25020379 -1.32361265 0.43385484 N 22.39362841 25.73573857 22.52724172 -0.62429678 -0.20726659 1.60713395 N 23.77538150 23.70296332 20.84887301 0.97074521 0.10402638 -0.23872079 N 25.59509151 25.28984966 22.48735431 0.17280139 -0.55927683 -0.27608169 N 21.08019556 21.20466820 24.18107110 1.20218649 1.32758006 1.67880520 N 22.31099012 22.49168145 25.57006373 -1.46772812 -1.41190032 -1.17840073 N 24.26120756 21.01193751 24.25226748 0.77461498 0.51125445 0.68956969 N 25.46431997 22.54396501 25.57236142 -0.61461312 -1.38257289 -0.63419619 N 21.20379337 24.23854596 23.47142498 -0.48353168 3.85253865 -0.10747878 N 22.28229695 25.23786921 25.54286775 0.25875251 0.41873302 0.95097599 N 24.02015752 23.87970777 24.27711528 1.48145951 1.63524061 1.04232612 N 25.37871118 25.25213077 25.23125112 -1.43800914 -0.95407254 -0.94677332