16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=46.25817222696549 stress="-0.017559536813945068 0.000457997695897528 -0.010103214516533246 0.000457997695897528 -0.01759360057251432 0.0008245636369821289 -0.010103214516533246 0.0008245636369821289 -0.019416268998105654" pbc="F F F" Ir 20.92671064 20.78206755 21.06253846 6.06130937 -6.52535476 6.38565738 Ir 22.55691051 22.55767746 22.76208263 -18.73975470 -85.83843124 -176.90509136 Ir 23.92727178 21.11416274 21.07268477 -172.26967566 -140.69312842 -141.31638099 Ir 25.42730663 22.26633258 22.24502618 206.73434874 127.05808820 142.59595348 Ir 21.03878401 23.43685462 20.99267483 -16.71385683 25.12787149 -22.65638487 Ir 22.78325304 25.27231378 22.49284402 -50.87504212 76.94412695 -84.16049776 Ir 24.24947208 23.90018280 20.78493355 -22.07935577 15.19360408 -30.42198333 Ir 25.62067783 25.59538375 22.38584306 -2.18557878 -3.23351801 5.20187048 Ir 21.18511121 20.93532456 24.04498504 -25.27217852 -34.31609872 9.85391200 Ir 22.34759403 22.61093214 25.71215358 153.34554786 -241.67943476 319.63734497 Ir 24.09982481 21.29437891 24.14728411 -78.94764430 -185.65649943 -60.09228952 Ir 25.24428522 22.77282647 25.42017124 174.69295656 81.18766630 162.35920152 Ir 21.15054525 23.73719215 24.29423362 -315.53925631 217.86795002 -202.03955744 Ir 22.45646809 25.66023556 25.47293884 -31.83985117 73.20570098 51.13085390 Ir 23.59174283 23.97113256 24.24879541 200.32201153 86.85564750 20.34641644 Ir 25.66197920 25.72383100 25.16149682 -6.69397990 -5.49819019 0.08097508