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=-5.365847790019902 stress="-0.0007174376611229596 -0.00018843759665583456 -0.0004100030568726512 -0.00018843759665583456 -0.005113334731372931 -0.00033118203320161194 -0.0004100030568726512 -0.00033118203320161194 -0.007075686874681544" free_energy=-5.365847790019902 pbc="F F F" H 10.41561068 10.35948035 10.40480033 3.53402121 -7.75841939 -9.68421655 H 11.12719504 11.04869006 11.36041876 -12.00514295 -15.36092686 7.06170512 H 11.76735611 10.33533445 10.24148635 -5.30575481 -5.05373102 -4.30764936 H 12.83611608 11.28369179 11.27598936 7.83962026 18.72547093 -5.78339525 H 10.22329650 11.90233509 10.40583543 7.51905226 3.71935682 -7.59730295 H 11.00559716 12.45178472 11.54874826 -1.32463706 14.12116213 -0.00997587 H 11.52496392 11.88090187 10.36136659 -10.20699937 6.37108082 -14.01836271 H 12.80835534 12.49645637 11.23193431 4.05729803 -15.20300215 -3.19166311 H 10.42001865 10.85558986 11.70342959 0.74121310 -2.28228814 -0.05658262 H 11.21073706 10.95039292 13.03187239 0.40952663 -0.43652767 5.55280896 H 12.01001192 10.48453339 12.10170120 13.86412702 -6.98439465 18.71256706 H 12.62793365 10.96904386 12.91513684 -8.26920157 -7.63078454 -7.95637507 H 10.74624097 11.95728131 11.85498893 -10.50425463 3.68304737 7.20691065 H 11.36042859 12.95947124 12.60512851 8.58152449 3.89916210 6.07635883 H 12.05280714 11.91333883 11.84655491 6.86337935 5.51410116 3.66788914 H 12.62241235 12.57230844 12.66049160 -5.79377195 4.67669311 4.32728374