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=24.28476837379642 stress="-0.0005685081609209782 0.00010820102254429125 0.00015948243842414745 0.00010820102254429125 -0.0002228350332738076 7.908577933028224e-06 0.00015948243842414745 7.908577933028224e-06 -0.0004858306249274893" free_energy=24.28476837379642 pbc="F F F" N 21.48475961 21.08343331 20.79585403 0.76136170 -0.84173074 -0.86745416 N 22.44809454 22.72094491 22.74172738 -4.96858030 1.85158902 -0.71262348 N 24.18190327 20.82183498 21.21219253 2.34568445 -2.16830076 -1.52922895 N 25.42485375 22.62990665 22.28220450 1.93271415 3.15031545 -1.72551634 N 21.28278197 24.06210000 21.13362859 -2.83864650 2.24451435 0.67851792 N 22.32702941 25.57034430 22.54852473 -2.73742406 1.30254483 -3.05933117 N 24.05473499 23.91561068 21.13661615 4.37451323 -1.64096533 -1.32199289 N 25.40480033 25.37719504 22.29869006 1.88128754 0.04011921 -3.19541029 N 21.11041876 20.76735611 23.83533445 -2.50332877 -0.87037203 0.91463262 N 22.24148635 22.58611608 25.53369179 -1.61357480 1.51450348 3.59590194 N 24.02598936 20.72329650 23.96375436 2.05345434 -3.48820007 0.47187749 N 25.39036882 22.35729836 25.20178472 0.62009027 0.48969547 0.08217174 N 21.29874826 23.77290972 23.88090187 0.84000785 0.98586466 -0.99623855 N 22.36136659 25.43628900 25.24645637 -3.77846619 0.17420187 4.10547270 N 23.98193431 23.63906251 24.20070203 1.07273955 -2.26408005 2.03612455 N 25.20342959 25.40085166 25.49876149 2.55816753 -0.47969937 1.52309687