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:forces:R:3 energy=46.25817222696503 stress="-1300.9509634715585 33.9321332936625 -748.5269571009153 33.9321332936625 -1303.4746792164392 61.09027073673843 -748.5269571009153 61.09027073673843 -1438.5125375316534" pbc="F F F" Ir -0.07328936 -0.21793245 0.06253846 6.06130937 -6.52535476 6.38565738 Ir 1.55691051 1.55767746 1.76208263 -18.73975470 -85.83843124 -176.90509136 Ir 2.92727178 0.11416274 0.07268477 -172.26967566 -140.69312842 -141.31638099 Ir 4.42730663 1.26633258 1.24502618 206.73434874 127.05808820 142.59595348 Ir 0.03878401 2.43685462 -0.00732517 -16.71385683 25.12787149 -22.65638487 Ir 1.78325304 4.27231378 1.49284402 -50.87504212 76.94412695 -84.16049776 Ir 3.24947208 2.90018280 -0.21506645 -22.07935577 15.19360408 -30.42198333 Ir 4.62067783 4.59538375 1.38584306 -2.18557878 -3.23351801 5.20187048 Ir 0.18511121 -0.06467544 3.04498504 -25.27217852 -34.31609872 9.85391200 Ir 1.34759403 1.61093214 4.71215358 153.34554786 -241.67943476 319.63734497 Ir 3.09982481 0.29437891 3.14728411 -78.94764430 -185.65649943 -60.09228952 Ir 4.24428522 1.77282647 4.42017124 174.69295656 81.18766630 162.35920152 Ir 0.15054525 2.73719215 3.29423362 -315.53925631 217.86795002 -202.03955744 Ir 1.45646809 4.66023556 4.47293884 -31.83985117 73.20570098 51.13085390 Ir 2.59174283 2.97113256 3.24879541 200.32201153 86.85564750 20.34641644 Ir 4.66197920 4.72383100 4.16149682 -6.69397990 -5.49819019 0.08097508