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=6.672986444830663 stress="-0.0001833630586018459 -8.622759299812063e-06 -5.2360038100962746e-08 -8.622759299812063e-06 -0.00017089967359855163 -4.114695645862471e-05 -5.2360038100962746e-08 -4.114695645862471e-05 -0.0002174391564314899" free_energy=6.672986444830663 pbc="F F F" O 21.18159264 21.20288723 21.08343331 0.00051731 -0.15058547 -0.44316884 O 22.29585403 22.44809454 22.72094491 -0.85565813 -1.26942687 -0.30903378 O 24.51358784 21.18190327 20.82183498 0.07906535 -0.59463278 -0.67876471 O 25.71219253 22.42485375 22.62990665 1.14039853 -0.17660954 -0.43339970 O 20.78220450 24.28278197 21.06210000 -0.74419226 0.15749605 -1.03470829 O 22.63362859 25.32702941 22.57034430 0.90490066 0.32318128 0.90695339 O 24.05853665 24.05473499 20.91561068 0.04576719 0.11128894 -1.21596268 O 25.63661615 25.40480033 22.37719504 0.80201836 0.74541539 -0.18840993 O 20.79869006 21.09495216 23.76735611 -0.18121166 -0.10263951 -0.15739286 O 22.33533445 22.24148635 25.58611608 -0.24967203 -0.12514019 1.38552503 O 24.03369179 21.02598936 23.82499770 0.25347244 -1.23184282 0.15696471 O 25.46375436 22.40583543 25.25559716 0.63863857 -0.49148555 1.01875082 O 20.70178472 24.29874826 23.77290972 -1.39146099 0.21564130 0.40821030 O 22.25883552 25.36136659 25.55835534 -0.09183645 0.78987633 1.07494552 O 23.74645637 23.98193431 23.92001865 -0.80327346 1.21221412 -1.00626193 O 25.70070203 25.20342959 25.40085166 0.45252659 0.58724933 0.51575295