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=5699.46032663836 pbc="F F T" Lr -0.11257879 -0.21936487 -0.26633706 103 -3597.33245333 -5203.57820164 649.96177743 Lr 1.31335445 1.41152911 -0.17339774 103 5115.71604773 13562.87744403 -7142.69378010 Lr 1.31179491 0.13728132 0.97938794 103 7177.18502219 -15293.07226931 10946.82729872 Lr -0.04655451 1.26281550 1.56744097 103 -8695.56861659 6933.77302692 -4454.09529606