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=76.8063866502 pbc="T F F" Ba 0.00710170 -0.10737673 0.05013808 56 -3.64566464 -24.40288816 -23.04914097 Ba 1.39743445 1.63362859 -0.08685450 56 4.49873808 21.06283789 -26.32254314 Ba 1.29364079 0.01227909 1.55473499 56 5.48428697 -22.52250681 25.86525659 Ba 0.21435895 1.63661615 1.40480033 56 -6.33736041 25.86255707 23.50642752