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=-8.78529768113805 stress="8.330077350639021e-05 1.5599323490925278e-05 -2.1019413720038358e-05 1.5599323490925278e-05 9.72134492030862e-05 1.1521951259084751e-05 -2.1019413720038358e-05 1.1521951259084751e-05 8.675079274130546e-05" pbc="F F F" H 21.12990665 20.78220450 21.28278197 0.27255582 0.31854067 0.25956427 H 22.56210000 22.63362859 22.32702941 0.13971350 -0.05937276 0.38261817 H 24.07034430 21.04852473 21.05473499 -0.20392901 0.34462407 0.35981660 H 25.41561068 22.74704474 22.40480033 -0.29981057 -0.07450435 0.36312417 H 20.87719504 23.79869006 21.11041876 0.15892631 -0.21746607 0.17036141 H 22.26735611 25.33533445 22.24148635 0.38025225 -0.42969606 0.40498093 H 24.08611608 24.03369179 21.02598936 -0.46940748 -0.21783395 0.04870006 H 25.22329650 25.46375436 22.40583543 -0.19788144 -0.25659473 0.45534932 H 20.75559716 20.70178472 24.29874826 0.35132672 0.37776710 -0.21504181 H 22.27290972 22.59037311 25.36136659 0.36367461 -0.17711150 -0.24524958 H 24.05835534 20.74645637 23.98193431 -0.25708979 0.72827655 -0.27184333 H 25.27514716 22.70070203 25.20342959 0.26211976 -0.27147764 0.15599907 H 20.90085166 24.05074261 24.28187239 0.32840373 0.03764987 -0.48800960 H 22.51001192 25.48453339 25.60170120 0.20959583 -0.45056619 -0.39488145 H 23.87793365 23.71904386 24.00082602 -0.68517271 0.68249552 -0.69654157 H 25.74624097 25.64302402 25.35498893 -0.35327753 -0.33473053 -0.28894666