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=288.965149687 pbc="T T T" Ba -0.18564671 0.31374870 0.17549044 56 -76.71834605 -58.67731205 -80.65347521 Ba 0.95960170 0.56143450 0.06110600 56 73.38969147 23.57549737 -54.27464110 Ba 0.53829595 0.02094153 0.89041416 56 40.46427757 -70.89946773 76.62659398 Ba -0.03824408 0.76878885 0.57834452 56 -37.13562299 106.00128241 58.30152232