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=189538.01355845464 pbc="F T T" Ba -0.13529088 0.26267262 -0.21323502 56 -35225.82859171 -268651.90817953 233648.90698608 Ba 1.44959452 1.62802009 -0.11810332 56 11173.32779850 -302819.51652233 -253782.04246035 Ba 1.69660728 -0.23210105 1.24544399 56 104319.54112944 331027.41614655 265414.71603875 Ba -0.29223185 1.53366861 1.48771144 56 -80267.04033622 240444.00855530 -245281.58056448