32 Lattice="54.29523468017578 0.0 0.0 0.0 54.29523468017578 0.0 0.0 0.0 54.29523468017578" Properties=species:S:1:pos:R:3:forces:R:3 energy=-327.5311677302568 stress="-0.005860439261174016 -0.0008669458069496193 0.0006749305988598602 -0.0008669458069496193 -0.007259103348177306 0.00021935290477852909 0.0006749305988598602 0.00021935290477852909 -0.006755171346912491" pbc="F F F" Ir 26.97052826 27.11357541 27.38507116 1.66634747 -7.32726588 -6.89124910 Ir 28.78097547 29.21352904 27.15525379 38.73940905 -57.06899691 -6.60624711 Ir 29.29181485 27.20337732 29.05370869 -54.70232589 -38.03619535 -9.85012876 Ir 27.11999460 28.83761111 29.36512640 -8.79869807 54.86359209 -42.98444571 Ir 31.07982254 27.08132263 27.07625342 -22.33987118 1.70129141 -25.69364210 Ir 33.08604581 28.96607869 27.16125490 3.26739109 52.98703464 -40.45282885 Ir 32.82115900 27.28903447 28.89327432 29.13118018 -48.23528603 62.88304849 Ir 30.89320268 29.06679500 29.14431673 25.63429591 90.60621303 -49.63902751 Ir 27.24993531 31.08121715 27.43166497 -82.78472569 9.21991382 -31.75895341 Ir 29.10817637 32.81378824 27.16768100 -11.55252441 20.60670627 -33.02416383 Ir 28.97652627 30.96346199 29.22390449 91.67552941 -24.50949460 -48.36007816 Ir 27.19139313 32.98034287 29.12367958 -13.42016931 40.28060251 -2.27362829 Ir 30.88537899 30.81349188 26.98472096 15.19902837 0.95531919 5.48271846 Ir 33.03231754 33.07687416 26.95946662 -7.13086257 -6.80899214 6.81335411 Ir 32.77193485 31.15040578 29.24029852 59.80480104 -46.59257700 -75.46245963 Ir 30.83387399 32.81044156 28.96101956 19.20606143 32.66252991 12.45126597 Ir 27.39577979 27.36793711 31.27216912 -27.19542104 -174.20279780 -52.80819405 Ir 29.12801652 29.08365791 31.22333559 44.98359329 39.58653171 -18.81803649 Ir 29.09074649 27.07822393 33.15073186 22.48657784 3.12362709 15.14915936 Ir 27.02010115 29.11913353 32.76060965 -27.32339485 98.25172419 89.68467016 Ir 31.08268153 27.37508390 30.86403652 9.30375076 -61.52150619 71.22394135 Ir 33.07556126 29.07558517 31.13562146 20.50180083 64.13951592 -78.72975565 Ir 33.13578928 27.28627521 32.73847819 5.48499660 -60.28460972 49.97567308 Ir 31.26057480 29.20520502 32.91232130 -42.53259264 -26.89001329 19.84029270 Ir 27.33336043 31.14442435 30.90654258 -106.62485809 -68.71004497 66.58577987 Ir 28.97918645 32.93422550 31.06480493 68.81111934 50.70296573 -7.94663336 Ir 29.32316491 31.00311636 32.98441169 -41.52359014 -19.17250350 11.53824668 Ir 27.05755722 32.92918690 32.71924427 -19.76675185 12.19087530 33.59010766 Ir 31.04161093 31.14507569 30.92935600 -42.69726388 -22.90618277 61.69354995 Ir 32.92971388 33.02419348 30.89113263 3.31148397 30.38384741 26.89019798 Ir 32.97962388 31.02450184 33.03436865 19.95292003 30.43612677 -0.93911067 Ir 30.86908200 32.94942154 33.07270957 29.23276299 29.56804919 -1.56342313