32 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=90840.32550968195 stress="-5.2341331821517425 1.7852754664643333 0.7530648642633644 1.7852754664643333 -5.533385845582394 -0.7828624460199126 0.7530648642633644 -0.7828624460199126 -4.592863640407255" free_energy=90840.32550968195 pbc="F F F" Ir 20.85901237 21.11567360 21.01236705 -1523.54609315 -955.77738412 -909.56247439 Ir 22.15453379 22.72257358 20.89836660 196783.95739479 -163664.90220675 -62565.18069565 Ir 22.48840539 20.75595168 22.13058293 -34948.60234386 -4315.25396235 20424.80426156 Ir 21.30746939 22.86602878 22.05005314 -74177.08530807 -27453.58543424 107699.62572598 Ir 23.81664509 20.86597974 21.36181421 34217.95863787 -3494.10255082 -25078.13721117 Ir 25.72740699 22.62944432 21.16138146 284.63065044 -591.01165018 -1345.62873099 Ir 25.52486815 20.86111957 22.35912562 1642.59931714 -451.33078752 612.01802915 Ir 23.69050438 22.32845617 22.30625589 1051.77964598 7139.91913679 3830.76761089 Ir 21.24197030 23.71993125 20.76463827 -141828.71886667 172861.14289653 -53755.94748378 Ir 22.98297901 25.42865722 21.17908923 -39853.91545871 32583.95920502 1915.77045056 Ir 22.48792170 23.93345950 22.22947492 18537.65643452 17321.49892285 7972.18976360 Ir 20.87925488 25.45824751 22.70781682 -1050.21339199 11475.83429240 -7062.53149468 Ir 24.05196580 24.38024205 20.87735147 23951.89007321 -46304.60516419 -25367.29477464 Ir 25.60817270 25.48023266 20.83841246 11962.53531419 1876.07149130 -10509.18783859 Ir 25.57660268 23.93817486 22.63266444 1304.86733433 163.68679981 512.15216636 Ir 24.45197863 25.42529093 22.03242327 4083.47388669 15394.54792668 31521.45769758 Ir 20.96234909 20.74317773 24.13715187 -927.12630574 -1197.93115852 -489.49281248 Ir 22.07964720 22.43164434 24.09631498 2488.63623764 240.63357755 -5270.61964727 Ir 22.56197924 21.09725863 25.49108234 -380.86176123 -2551.27290978 1737.98960570 Ir 20.83812050 22.51932258 25.39532622 -3710.04856319 622.39592356 3918.24434882 Ir 23.91642771 20.93284282 23.73766916 184.38273045 -931.22591777 1164.91428585 Ir 25.44878721 22.76803846 24.28482528 -18277.67485109 -74796.44426628 -74428.43719314 Ir 25.58028341 21.24344343 25.63542340 105.36515256 -722.33716168 621.83387500 Ir 23.62179997 22.67916350 25.20077600 6870.82641524 -13645.41479087 187.80588623 Ir 20.97422556 24.03667082 23.58483121 -871.27723353 -9562.11591571 8438.28162974 Ir 22.67064374 25.59557098 24.10570971 -11141.89374533 1773.83159255 -17763.23631845 Ir 22.93334910 24.13239973 25.63054914 -13493.72564924 2101.97820634 8895.03226271 Ir 21.31796808 25.64542493 25.30759723 -3679.02767735 343.21955299 3133.63903612 Ir 24.06106997 24.08410777 24.11908167 406.67483627 745.35492517 -7004.94341806 Ir 25.37107613 25.58210514 24.44437230 6310.77136448 1832.24557144 -3151.03550707 Ir 25.72328610 23.75371268 25.28238460 21395.83820785 72678.11806530 75269.78865223 Ir 23.80623721 25.52628101 25.26035268 14279.87361550 11482.87317449 16844.92031230