Br1C1H3Ir36 1.00000000000000 8.1437489999999997 0.0000000000000000 0.0000000000000000 4.0718740000000002 7.0526929999999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 21.6493429999999982 Ir C H I 36 1 3 1 Selective dynamics Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 F F F 0.3333330000000032 0.0000000000000000 0.0000000000000000 F F F 0.6666669999999968 0.0000000000000000 0.0000000000000000 F F F 0.0000000000000000 0.3333330000000032 0.0000000000000000 F F F 0.3333330000000032 0.3333330000000032 0.0000000000000000 F F F 0.6666669999999968 0.3333330000000032 0.0000000000000000 F F F 0.0000000000000000 0.6666669999999968 0.0000000000000000 F F F 0.3333330000000032 0.6666669999999968 0.0000000000000000 F F F 0.6666669999999968 0.6666669999999968 0.0000000000000000 F F F 0.1111110000000011 0.1111110000000011 0.1023789999999991 F F F 0.4444439999999972 0.1111110000000011 0.1023789999999991 F F F 0.7777779999999979 0.1111110000000011 0.1023789999999991 F F F 0.1111110000000011 0.4444439999999972 0.1023789999999991 F F F 0.4444439999999972 0.4444439999999972 0.1023789999999991 F F F 0.7777779999999979 0.4444439999999972 0.1023789999999991 F F F 0.1111110000000011 0.7777779999999979 0.1023789999999991 F F F 0.4444439999999972 0.7777779999999979 0.1023789999999991 F F F 0.7777779999999979 0.7777779999999979 0.1023789999999991 F F F 0.8875220081794578 0.2226259815617098 0.2048171941335199 T T T 0.2218770127416884 0.2221003603575764 0.2042315817629381 T T T 0.5552058263737232 0.2222586337599499 0.2044960234930842 T T T 0.8886988012493761 0.5553050072705137 0.2043475878440722 T T T 0.2219564587462741 0.5554701714425822 0.2044510167421665 T T T 0.5552701036993746 0.5554550841836514 0.2045560973829976 T T T 0.8885896220246972 0.8889174310435585 0.2044792067408328 T T T 0.2222362106657193 0.8881127756175290 0.2045951975490003 T T T 0.5551018770103721 0.8889930861322464 0.2043285706697271 T T T 0.9993800167090139 0.9996796275006602 0.3062714627801143 T T T 0.3324912986946640 0.0000943019459459 0.3062079526018334 T T T 0.6664038176936692 0.9991554730718780 0.3060995669281684 T T T -0.0002185223083832 0.3331554502978168 0.3062215796975321 T T T 0.3314300021310777 0.3323253270684039 0.3057325030599443 T T T 0.6660506235581438 0.3330648160941456 0.3068607799350049 T T T 0.9987213027331758 0.6669149932029157 0.3060824886905769 T T T 0.3320885314531080 0.6671411566857230 0.3064323642564110 T T T 0.6665773761088974 0.6671503064000669 0.3059953406870748 T T T 0.6101431864978588 0.6027040615853434 0.4797967599849854 T T T 0.7411475932717303 0.5056924858611072 0.5041266563994085 T T T 0.5110527764752911 0.7206731424517248 0.5089613186644006 T T T 0.6384671621595261 0.6522749066755179 0.4359956869559007 T T T 0.4744551796488310 0.4433882947769904 0.4541709009412844 T T T 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00