32 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=90840.32550968266 stress="-387786.4591992603 132267.48875941278 55793.06966354378 132267.48875941278 -409957.4905275085 -58000.71290072237 55793.06966354378 -58000.71290072237 -340276.08139049343" pbc="F F F" Ir -0.14098763 0.11567360 0.01236705 -1523.54609315 -955.77738412 -909.56247439 Ir 1.15453379 1.72257358 -0.10163340 196783.95739479 -163664.90220675 -62565.18069565 Ir 1.48840539 -0.24404832 1.13058293 -34948.60234386 -4315.25396235 20424.80426156 Ir 0.30746939 1.86602878 1.05005314 -74177.08530807 -27453.58543424 107699.62572598 Ir 2.81664509 -0.13402026 0.36181421 34217.95863787 -3494.10255082 -25078.13721117 Ir 4.72740699 1.62944432 0.16138146 284.63065044 -591.01165018 -1345.62873099 Ir 4.52486815 -0.13888043 1.35912562 1642.59931714 -451.33078752 612.01802915 Ir 2.69050438 1.32845617 1.30625589 1051.77964598 7139.91913679 3830.76761089 Ir 0.24197030 2.71993125 -0.23536173 -141828.71886667 172861.14289653 -53755.94748378 Ir 1.98297901 4.42865722 0.17908923 -39853.91545871 32583.95920502 1915.77045056 Ir 1.48792170 2.93345950 1.22947492 18537.65643452 17321.49892285 7972.18976360 Ir -0.12074512 4.45824751 1.70781682 -1050.21339199 11475.83429240 -7062.53149468 Ir 3.05196580 3.38024205 -0.12264853 23951.89007321 -46304.60516419 -25367.29477464 Ir 4.60817270 4.48023266 -0.16158754 11962.53531419 1876.07149130 -10509.18783859 Ir 4.57660268 2.93817486 1.63266444 1304.86733433 163.68679981 512.15216636 Ir 3.45197863 4.42529093 1.03242327 4083.47388669 15394.54792668 31521.45769758 Ir -0.03765091 -0.25682227 3.13715187 -927.12630574 -1197.93115852 -489.49281248 Ir 1.07964720 1.43164434 3.09631498 2488.63623764 240.63357755 -5270.61964727 Ir 1.56197924 0.09725863 4.49108234 -380.86176123 -2551.27290978 1737.98960570 Ir -0.16187950 1.51932258 4.39532622 -3710.04856319 622.39592356 3918.24434882 Ir 2.91642771 -0.06715718 2.73766916 184.38273045 -931.22591777 1164.91428585 Ir 4.44878721 1.76803846 3.28482528 -18277.67485109 -74796.44426628 -74428.43719314 Ir 4.58028341 0.24344343 4.63542340 105.36515256 -722.33716168 621.83387500 Ir 2.62179997 1.67916350 4.20077600 6870.82641524 -13645.41479087 187.80588623 Ir -0.02577444 3.03667082 2.58483121 -871.27723353 -9562.11591571 8438.28162974 Ir 1.67064374 4.59557098 3.10570971 -11141.89374533 1773.83159255 -17763.23631845 Ir 1.93334910 3.13239973 4.63054914 -13493.72564924 2101.97820634 8895.03226271 Ir 0.31796808 4.64542493 4.30759723 -3679.02767735 343.21955299 3133.63903612 Ir 3.06106997 3.08410777 3.11908167 406.67483627 745.35492517 -7004.94341806 Ir 4.37107613 4.58210514 3.44437230 6310.77136448 1832.24557144 -3151.03550707 Ir 4.72328610 2.75371268 4.28238460 21395.83820785 72678.11806530 75269.78865223 Ir 2.80623721 4.52628101 4.26035268 14279.87361550 11482.87317449 16844.92031230