3
Lattice="3.783440155295516 6.290882809687201e-21 0.0 -1.8917200776477585 3.276555288184057 0.0 0.0 0.0 19.00109963326653" Properties=species:S:1:pos:R:3 energy=-12.67824769732734 dipole="3.7347275208957425e-14 -4.2169548105131844e-14 7.497813103230769e-14" free_energy=-12.685329882099417 pbc="T T F"
Zr      -0.00000000       0.00000000       9.50054982
I        1.89172008       1.09218510      11.50546552
I        0.00000000       2.18437019       7.49563412