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:Z:I:1:forces:R:3 energy=120075.75052719167 pbc="T F F" Ac -0.00548572 -0.15873180 -0.15859300 89 -60835.34454971 -106182.63663360 -53856.88200289 Ac 1.31668137 1.41986395 -0.25603453 89 157219.89546017 97148.45444618 -257124.67507227 Ac 1.37578640 0.27219963 1.43381326 89 121604.50798507 -192046.41186686 153006.45557173 Ac 0.13132919 1.75978669 1.22592512 89 -217989.05889553 201080.59405427 157975.10150343