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:forces:R:3 energy=1387.6227836472435 stress="-3506.9826343881723 717.8672672840232 287.58951678983726 717.8672672840232 -6059.919967757703 -3856.3929699146593 287.58951678983726 -3856.3929699146593 -9163.216005365848" pbc="F F F" Ir -0.07110822 0.17596411 -0.05818120 -439.22841764 -4081.16071339 -5165.57003049 Ir 1.56831363 1.44642235 -0.05957359 751.18327771 1259.54656423 -1130.16394312 Ir 1.53784506 0.20142794 1.49382066 1325.61537466 -1495.85935273 1246.16128388 Ir -0.15820259 1.21773286 1.37314739 -1637.57023472 4317.47350189 5049.57268973