64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=343789.68019058416 pbc="F F F" Ir 0.19747715 0.44677418 0.00904741 77 -3.06406502 1.75738951 -1.61346936 Ir 2.02800017 1.25249890 1.77352112 77 -5004.72685173 7321.64221208 -5945.67819279 Ir 2.80262908 2.91141249 0.01072385 77 -2016.04745715 -1495.08347466 -1237.44813670 Ir 4.15904937 3.92207837 0.83032935 77 -48820.82626856 -53048.66770986 66725.10554177 Ir 2.82490037 0.08744153 2.72293898 77 4845.26917659 -7525.20205641 5822.16312688 Ir 4.08102719 1.51374993 3.82887920 77 -5378.72005032 -3451.31502826 4084.35432824 Ir -0.22920862 2.55394490 2.48117253 77 6.08104137 7.03570995 7.45064857 Ir 1.60302751 4.27663585 4.36673578 77 -5051.74876895 28590.93066633 -13138.73872974 Ir 5.20621843 -0.02167120 0.02555255 77 -87.73342615 -235.95642934 -320.23323736 Ir 5.65507908 1.23507491 1.71661490 77 -1016.58120747 -5328.90314050 -12913.52650735 Ir 7.14429368 2.27082522 -0.32430698 77 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6.74971641 3.27413020 8.81933078 77 582.61612639 162.41756623 446.43034966 Ir -0.14890251 4.49759302 5.23968114 77 -1343.09233023 118.57479508 612.83751527 Ir 0.75789066 6.24582157 6.63324303 77 227.65191453 -769.22797467 -570.71083704 Ir 2.66710172 7.19238973 4.85640307 77 -2024.06478963 -311.79986248 -3.67205605 Ir 3.55861942 8.66956137 5.79648882 77 588.52190421 1212.66503647 531.48706123 Ir 2.57745638 5.40088375 7.66197916 77 -13321.76375514 -12165.71225892 -18151.47284653 Ir 3.45340990 6.22506654 8.70457003 77 14153.72047080 13280.38300836 16973.92368126 Ir 0.08864107 7.89290218 7.57679172 77 -280105.44712883 -226892.39385512 -324641.65171849 Ir 0.82163280 8.48974234 8.42875204 77 279753.91151454 227778.85525382 325147.94839133 Ir 4.65273790 5.28815878 4.79073056 77 197818.93332558 -396910.93180676 289438.91547522 Ir 6.59315644 6.65099809 5.99379056 77 -13028.56854777 -8241.65262201 7685.99081826 Ir 7.82180501 7.44039574 5.24531584 77 -203481.09896627 -242161.40441026 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