4 Lattice="2.74074564074873 0.0 0.0 1.370372820374365 2.3735553501998585 0.0 0.0 0.0 14.475618002632336" Properties=species:S:1:pos:R:3:tags:I:1:forces:R:3:magmoms:R:1 energy=-30.073150983804542 magmom=0.0 pbc="T T F" Ir 1.37037282 0.79118512 4.99999956 3 -0.00000000 0.00000000 0.34661879 0.00000000 Ir 0.00000000 1.58237023 7.23780900 2 -0.00000000 0.00000000 -0.50851849 0.00000000 Ir 0.00000000 0.00000000 9.39653660 1 0.00000000 0.00000000 0.16235313 0.00000000 H 0.00000000 0.00000000 10.99428466 0 -0.00000000 0.00000000 -0.00060139 0.00000000