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=-12.63582350182041 stress="0.0005498693655051702 0.00013132173203033224 -0.000142817873606245 0.00013132173203033224 0.0005126071604609668 0.00011433839493265283 -0.000142817873606245 0.00011433839493265283 0.0005381264190207045" free_energy=-12.63582350182041 pbc="F F F" O 21.33026318 20.96064715 21.10181725 1.98373491 2.46845777 1.88038052 O 22.43300593 22.22002482 22.27696427 -7.15607221 1.97498234 4.52437317 O 24.21639213 21.15055997 21.18047504 1.76372235 1.49752171 1.34387368 O 25.66817053 22.38334936 22.28667991 -2.09371877 -1.24882493 -1.52461331 Be 21.07529810 24.16493895 21.06452452 1.38878862 -0.21462237 0.43503069 Be 22.73573857 25.49735295 21.97758468 1.57276928 -0.83269541 1.99316511 Be 23.70296332 23.84887301 21.22083292 -1.43923406 -2.37278312 2.09720035 O 25.28984966 25.48735431 22.42299150 -5.14916139 -3.69202765 2.07038040 Be 20.90698366 21.18107110 23.82825321 4.24438741 4.39212722 -4.09779235 Be 22.63102478 22.59995250 25.76120756 1.67579105 -1.63567703 -2.18086990 O 24.01193751 21.25226748 23.96431997 -0.79369421 2.39593718 3.18265798 Be 25.54396501 22.57236142 25.70379337 -0.88209684 -0.76026014 -1.00178807 Be 21.23854596 23.76922180 23.78229695 2.83532226 -5.81410979 -3.98122751 O 22.52031036 25.68745344 25.52015752 2.32416967 -2.46329770 -2.85629010 Be 23.87970777 24.27711528 23.87871118 2.09464587 8.02430788 0.23613252 O 25.25213077 25.23125112 25.21824351 -2.36935394 -1.71903597 -2.12061317