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=31.189168984720112 stress="-0.002524055566123865 -0.0002607318700928914 -0.0002777870567667027 -0.0002607318700928914 -0.0028698118717838538 -0.00021736184584864198 -0.0002777870567667027 -0.00021736184584864198 -0.002673963149997266" pbc="F F F" Sm 21.28278197 21.06210000 21.13362859 -9.34924581 -10.03079762 -10.52548590 Sm 22.32702941 22.42547280 22.60133187 6.65112165 1.48197035 -4.00725545 Sm 23.96807382 20.91561068 21.13661615 -0.12790122 -11.76053736 -10.85344988 Sm 25.40480033 22.22374995 22.29869006 16.44290376 2.44669723 4.08503773 Sm 21.11041876 23.76735611 20.83533445 -6.60449921 3.90445576 -9.17884274 Sm 22.11389871 25.58611608 22.53369179 3.05421708 17.78916576 -10.43694275 Sm 24.02598936 23.72329650 20.96375436 -3.61964944 2.31727059 -12.74089954 Sm 25.40583543 25.25559716 22.02409316 7.72252866 8.78293388 1.46124174 Sm 21.29874826 20.77290972 23.88090187 -10.85678730 -13.06154076 4.83737384 Sm 22.27185819 22.55835534 25.24645637 -1.05741774 -4.07136054 18.34140344 Sm 23.98193431 20.92001865 23.92356623 3.26911774 -13.08482254 3.56171809 Sm 25.20342959 22.33943239 25.49793547 7.63790525 -0.15049926 7.66103051 Sm 21.28187239 24.01001192 23.73658759 -23.51126464 0.92303341 5.83187721 Sm 22.60170120 25.37793365 25.21904386 -9.27026828 15.95792001 16.47561172 Sm 24.00082602 24.24624097 24.14302402 13.44287773 -5.58309142 -8.76734283 Sm 25.35498893 25.61042859 25.70947124 6.17636175 4.13920250 4.25492482