4
Lattice="4.1714158184868895 -2.9428314739173254e-19 0.0 2.5500818136695426e-16 4.1714158184868895 0.0 -8.92116293316316e-19 0.0 19.44063058585152" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-19.336881669329912 dipole="-5.560746247529319e-14 -5.892898635980106e-14 5.421051543086596e-07" free_energy=-19.34417953421079 pbc="T T F"
I        0.00000000       0.00000000      11.89915490       0.00000000
I        2.08570791       2.08570791       7.54143233       0.00000000
Zr       2.08570791       0.00000000       9.72028744       0.00000000
Zr       0.00000000       2.08570791       9.72028744       0.00000000