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=955.0356890769049 pbc="T F F" Ir 0.04610971 -0.15907006 0.05660552 77 43.48931292 -1857.96835595 -1518.08560704 Ir 1.60626411 1.33702016 0.00628713 77 -1851.28934682 941.55308706 -2300.53767441 Ir 1.31551906 -0.29209443 1.73460255 77 395.73132029 -570.91582595 667.00784522 Ir -0.12279680 1.27218307 1.39160870 77 1412.06871360 1487.33109484 3151.61543622