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=-2.6348792482879375 stress="-0.0022108091067525935 3.0614285498597435e-05 0.00028854683998247045 3.0614285498597435e-05 -0.002661150862087556 4.623925571331456e-05 0.00028854683998247045 4.623925571331456e-05 -0.0022000108303367166" free_energy=-2.6348792482879375 pbc="F F F" H 10.30076581 10.24396547 10.59073906 0.15473577 1.44166178 0.65052804 H 11.52219963 11.18381326 11.38132919 -5.69160216 -5.17015538 -4.75752817 H 12.12115328 10.28428047 10.48574937 -0.14725381 -0.78898073 -0.44450140 H 12.93365717 11.45288723 11.33343331 5.62456874 -1.19646313 -1.69119253 H 10.29585403 11.94809454 10.42437450 -0.56063702 -1.35909813 0.51672823 H 11.48171545 12.93190327 11.07183498 -1.28529124 2.92831129 -2.17102831 H 12.21219253 11.82570541 10.62990665 1.75110274 0.42351245 -6.34574217 H 12.53220450 13.03278197 11.31210000 1.41694077 3.22773315 -0.84182978 H 10.63362859 10.32702941 12.07034430 -1.46951355 -1.00597834 -0.67356718 H 11.29852473 11.30473499 12.66561068 -2.50712600 -1.21339445 4.19387961 H 12.13661615 10.40480033 11.87513051 1.65061682 -5.15881214 0.79537462 H 12.54869006 11.36041876 12.51735611 3.51244553 -1.61149463 4.48574846 H 10.33533445 12.02335874 12.09612800 -1.63950994 0.54382517 0.00309431 H 11.28369179 12.77598936 12.47329650 -1.77700332 2.62594890 2.31717518 H 11.96375436 11.90583543 11.75559716 0.64884076 4.87256117 2.68685978 H 12.43631812 13.04874826 12.52290972 0.31868592 1.44082303 1.27600132