64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-17.66873994998564 stress="3.0158413571207417e-05 -5.047988941518044e-05 1.2957939923498772e-05 -5.047988941518044e-05 4.243730759918639e-05 4.49565665215232e-05 1.2957939923498772e-05 4.49565665215232e-05 0.00016644025327205905" free_energy=-17.66873994998564 pbc="F F F" O 35.05205149 35.66663712 34.99781918 0.87575328 -0.21230704 2.48204020 O 35.63549184 35.54583666 36.65622869 -1.33949087 -0.78424937 -2.71514220 O 37.69880128 37.54369595 34.89645428 -0.21190935 -0.19001007 -0.78425524 O 39.44723574 38.29383404 36.68698606 -0.96693183 -5.34169017 11.21807626 O 37.41676734 35.54481381 37.96482139 1.45644341 -0.18281810 0.64328266 O 38.82834798 36.64694032 39.15777444 -2.24567621 -2.17740152 -0.72475489 O 35.60808066 37.37813788 37.63382714 -1.94098564 1.45052195 0.22380817 O 35.43287036 38.62988405 38.67326588 2.95166198 -0.21191616 1.65417848 O 40.39191698 34.78478562 35.94744062 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