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=25594.665685901127 pbc="F T F" Ir 0.34139681 -0.22039695 -0.06481087 77 -14860.98444080 18419.20394490 -3118.99703495 Ir 1.27486760 1.47744678 -0.00988188 77 15707.51714971 -17992.65297409 -1274.29184056 Ir 1.25573609 -0.26077202 1.78897379 77 136008.14659047 133464.83476700 27306.21991810 Ir 0.29138552 1.78983377 1.60169461 77 -136854.67929938 -133891.38573781 -22912.93104258