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=2820.7238839840793 pbc="T T F" Ir 0.03390656 0.10827067 0.12766712 77 -3285.17466529 -1102.96318599 -3625.74252749 Ir 1.44836637 1.60701197 -0.23592420 77 574.93542792 1507.40428120 -2509.36963988 Ir 1.39601662 0.45397956 1.26229717 77 9246.69604934 -6935.96525964 2632.92777003 Ir 0.24208648 1.61006002 1.77642924 77 -6536.45681197 6531.52416443 3502.18439734