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=-1.0357681747254377 stress="7.44901297926679e-05 -7.755521217655283e-06 -2.286902211571124e-05 -7.755521217655283e-06 5.8468724419804664e-05 4.536782568716455e-06 -2.286902211571124e-05 4.536782568716455e-06 8.617345653209643e-05" pbc="F F F" H 20.87083317 20.99331572 21.07049851 0.00743685 0.00598793 0.00680232 H 22.63661615 22.40480033 22.43708045 0.36587502 -0.60989377 0.28906154 H 23.79869006 21.11041876 20.76735611 -0.15340544 0.18455486 0.23980329 H 25.33533445 22.24148635 22.58611608 -0.93223372 -0.44988855 0.92733429 H 20.73614925 24.19030018 20.75607363 0.02843286 0.02000524 0.02467911 H 22.46375436 25.40583543 22.25559716 0.41916011 -0.50619097 -0.56428138 H 23.70178472 24.29874826 20.77290972 -0.49850181 0.44875063 0.60142150 H 25.38090187 25.36136659 22.55835534 -0.14385862 -0.18370236 0.17896879 H 20.96459530 21.17603667 23.75098362 0.18145648 0.13040365 -0.10848654 H 22.70070203 22.20342959 25.40085166 0.55520455 -0.39452582 -0.68469872 H 23.99793547 21.28187239 23.89202389 -0.00533750 1.42524368 -0.44471579 H 25.48453339 22.60170120 25.37793365 -0.60121747 0.39997830 -0.62076716 H 20.94490947 24.29473796 23.97238627 0.22739745 0.12373328 0.09576100 H 22.66405547 25.13260249 25.50405700 -0.05411963 -0.18460869 -0.26858990 H 24.20947124 23.85512851 24.05280714 0.88230557 -0.06470665 0.63308597 H 25.41333883 25.34655491 25.37241235 -0.27859471 -0.34514075 -0.30537830