4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-12.607799692139352 stress="-0.07648736256949851 0.10206549683797993 -0.02921249748374593 0.10206549683797993 -0.08367754767408216 -0.08029855423486001 -0.02921249748374593 -0.08029855423486001 0.004865122467755507" free_energy=-12.607799692139352 pbc="T F F" C 2.77846858 0.09073906 0.27219963 -0.85450962 -1.00098090 -0.74482484 C 1.43381326 1.63132919 0.25978669 0.97467481 -1.10867689 0.64433129 C 1.22592512 0.18365717 1.70288723 3.69766386 -1.28118546 -0.94794766 C 0.08343331 1.29585403 1.44809454 -3.81782905 3.39084325 1.04844121