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=456735.90843763895 stress="-61901.15008603631 7070.409138692527 -7613.94680629042 7070.409138692527 -73509.38972676538 25344.52829488415 -7613.94680629042 25344.52829488415 -68267.35513043239" pbc="T T F" Cs -0.01138865 -0.07563756 0.15299749 -562474.21536030 -260209.14710775 -443905.45920311 Cs 1.21237834 1.30699007 0.04078519 227701.45815754 889888.41457032 -993390.76750665 Cs 1.33115651 0.18758731 1.27942659 737321.04444665 -973964.50671838 1126400.58705079 Cs 0.08693667 1.41137160 1.64204224 -402548.28724388 344285.23925582 310895.63965897