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=289.904206851 pbc="T T T" Ba -0.18564671 0.31374870 0.17549044 56 -76.71808570 -58.67703320 -80.65297888 Ba 0.95960170 0.56143450 0.06110600 56 73.38941985 23.57608845 -54.27488184 Ba 0.53829595 0.02094153 0.89041416 56 40.46434553 -70.89972519 76.62663368 Ba -0.03824408 0.76878885 0.57834452 56 -37.13567967 106.00066994 58.30122705