64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=281612.54181260586 stress="-3.5820718935623734 0.8207218903204729 -0.18586487266542923 0.8207218903204729 -3.670100445715665 -1.0517566890442238 -0.18586487266542923 -1.0517566890442238 -2.7918165235844854" pbc="F F F" Ir 35.65265541 34.95603596 34.83844223 -2433.66810828 -1575.67216344 -3811.33027227 Ir 36.57129190 35.55111027 36.27557706 2275.24320779 1670.88354271 3501.59087130 Ir 38.25331531 37.16602944 34.66461250 -230.21935528 194.16753672 -66.17494101 Ir 38.39094669 39.01658688 36.09081468 -112570.02107151 -51571.82541269 57986.83619466 Ir 37.55601139 35.05924969 38.14848475 -145.56183518 -801.89824053 -138.54934074 Ir 38.25277685 36.67761174 39.17363474 247252.14307125 -189523.07734437 -210853.54119588 Ir 35.01036896 37.43476636 37.86057273 -944.84737054 -322.16383306 -811.41028569 Ir 36.47420002 37.92306704 39.11472572 -149471.13125216 95982.10088231 -126579.81473747 Ir 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39.88966595 -65.02166849 -36.84454391 -104.70839813 Ir 36.54416973 36.00839625 41.62584425 -82672.27410061 81969.94224950 -37918.70150966 Ir 37.40222746 37.33300667 39.90224366 -96507.81184888 94700.01851792 338625.68853417 Ir 38.68518112 39.41002127 41.97665796 9194.29140203 -3828.36443034 -5719.17604215 Ir 37.49855442 35.06208797 42.06459143 82781.79530811 -82100.01960639 38033.18042236 Ir 38.86512677 36.39726145 43.73314312 -540.34802879 -219.39953373 609.36761688 Ir 35.23022853 37.77663927 42.31339759 -60044.64838198 -55389.72227972 -121390.83404468 Ir 35.80175828 38.30563527 43.47060503 59905.19154595 55427.61175575 121448.02062750 Ir 40.12978077 35.19097417 39.64661013 46.02232236 -22.71478288 13.15449920 Ir 41.58074106 36.87694623 42.00281214 119124.39605035 -8946.99040032 -25038.05355192 Ir 42.56836127 37.63803295 39.57746628 11955.30128896 -10870.93116561 11950.04175454 Ir 43.31641163 39.14211999 41.69431197 184737.61158995 -150966.19288662 -61897.53960364 Ir 43.15869072 35.11849292 42.28838195 52.73134960 -73.24683628 -4.63446943 Ir 43.72739873 36.96356956 44.04421647 -3.71875228 17.07837659 3.28970957 Ir 40.20034043 36.98100619 42.29243361 -118675.51141855 9102.72899194 24330.03287048 Ir 40.96203410 38.92523440 43.27144067 -323.64481583 -120.41925962 424.95420902 Ir 34.86330536 40.30448521 39.36789126 -1948.73002964 -2174.46467607 -6215.62368090 Ir 35.36583120 40.86112114 40.95876611 1971.97820603 2161.37478586 6197.15624914 Ir 37.10928373 43.08398719 40.30927269 -79553.70940469 -53169.12659011 -52859.40587971 Ir 38.11163955 43.71960503 41.09055383 80978.71718386 51351.73337505 63125.34996920 Ir 37.33030418 39.96913044 42.82165951 -9595.63023240 3345.29498855 5488.47254934 Ir 38.58732329 41.48809082 43.45575885 431.66840813 554.41568132 240.57399166 Ir 35.38752078 42.32549848 43.14682564 -3630.63562045 -7152.26971825 -5348.60071460 Ir 36.03428300 43.59676260 44.09814152 3644.90283174 7150.72883913 5349.04576580 Ir 39.44929476 39.36916316 39.66702301 5277.13699180 -4770.18526046 3312.93096969 Ir 41.74772680 40.95542665 41.20834032 -52283.91578129 91925.61184387 -76392.30099835 Ir 42.85115607 42.92763899 40.29474887 -164206.01523741 -439333.86566220 -181278.05819928 Ir 43.26490489 44.03637058 40.75299715 164113.10100059 439780.24401919 181770.11290649 Ir 42.31176841 39.96303831 42.03107124 -132017.96313140 59109.58497533 137885.17761713 Ir 43.37789490 41.38015452 43.84346026 3.60790875 14.27998470 10.87718761 Ir 40.37229504 42.61785697 41.88914288 -3436.56190948 -5379.64209435 -12891.21451010 Ir 40.75601113 43.25277125 43.37756883 3340.88510178 5515.01870896 12934.98305655