16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=151.45947617851988 pbc="F F F" Ir 0.02635857 0.19561276 -0.03622905 77 -4.61336895 -1.62977861 -4.24462275 Ir 1.66506379 1.32183226 1.65257481 77 -187.00106365 86.67777058 -249.75662088 Ir 3.04675003 -0.04231280 -0.11395958 77 2.11409556 -2.32486560 -3.76107324 Ir 4.64610957 1.57135153 1.52676577 77 -2.97416907 3.17474256 1.28619563 Ir -0.09346910 3.28900652 0.23525939 77 -214.07049904 -211.37308380 -184.65554081 Ir 1.28713093 4.60141104 1.30198363 77 112.42180129 331.96725461 251.83789860 Ir 2.72068023 3.18297541 0.25984323 77 56.20031950 -154.99575487 -127.87434021 Ir 4.60244800 4.40917001 1.03590447 77 67.13945465 43.59305799 37.10234075 Ir 0.24576305 -0.13376350 3.13001326 77 -194.36339192 -235.94217667 -161.04167192 Ir 1.33861895 1.34745399 4.31782120 77 41.99546017 154.81236974 305.22489589 Ir 2.86943302 0.00986704 2.97811305 77 185.86231642 -204.96525183 111.56992559 Ir 4.27618186 1.68823635 4.36721982 77 132.53587691 -72.34775604 107.06731656 Ir -0.06332094 2.97689457 2.80122734 77 -27.22888536 -8.66440113 20.82915215 Ir 1.75753704 4.22868850 4.30149586 77 -282.50977325 430.00480238 345.41476641 Ir 2.70312310 2.77051615 3.13074468 77 307.41192754 -154.03146467 -444.73759358 Ir 4.38448094 4.63586594 4.51054872 77 7.07989920 -3.95546464 -4.26102818