IrO2_011_opt 1.0 9.56291600 0.00000000 0.00000000 0.00000000 12.84581515 0.00000000 0.00000000 0.00000000 24.82676799 Ir O 36 72 Direct 0.13606000 0.17672715 0.28970000 0.13606000 0.17672715 0.54603000 0.13606000 0.42672715 0.41894000 0.13606000 0.67672715 0.28970000 0.13606000 0.67672715 0.54603000 0.13606000 0.92672715 0.41894000 0.30273000 0.17672715 0.41788000 0.30273000 0.42672715 0.28970000 0.30273000 0.42672715 0.54925000 0.30273000 0.67672715 0.41788000 0.30273000 0.92672715 0.28970000 0.30273000 0.92672715 0.54925000 0.46939000 0.17672715 0.28970000 0.46939000 0.17672715 0.54603000 0.46939000 0.42672715 0.41894000 0.46939000 0.67672715 0.28970000 0.46939000 0.67672715 0.54603000 0.46939000 0.92672715 0.41894000 0.63606000 0.17672715 0.41788000 0.63606000 0.42672715 0.28970000 0.63606000 0.42672715 0.54925000 0.63606000 0.67672715 0.41788000 0.63606000 0.92672715 0.28970000 0.63606000 0.92672715 0.54925000 0.80273000 0.17672715 0.28970000 0.80273000 0.17672715 0.54603000 0.80273000 0.42672715 0.41894000 0.80273000 0.67672715 0.28970000 0.80273000 0.67672715 0.54603000 0.80273000 0.92672715 0.41894000 0.96939000 0.17672715 0.41788000 0.96939000 0.42672715 0.28970000 0.96939000 0.42672715 0.54925000 0.96939000 0.67672715 0.41788000 0.96939000 0.92672715 0.28970000 0.96939000 0.92672715 0.54925000 0.13606000 0.17672715 0.36843000 0.13606000 0.17672715 0.46761000 0.13606000 0.42672715 0.24014000 0.13606000 0.42672715 0.33927000 0.13606000 0.42672715 0.49881000 0.13606000 0.42672715 0.59658000 0.13606000 0.67672715 0.36843000 0.13606000 0.67672715 0.46761000 0.13606000 0.92672715 0.24014000 0.13606000 0.92672715 0.33927000 0.13606000 0.92672715 0.49881000 0.13606000 0.92672715 0.59658000 0.30273000 0.02258715 0.41855000 0.30273000 0.08093715 0.28970000 0.30273000 0.08188715 0.55141000 0.30273000 0.27251715 0.28970000 0.30273000 0.27155715 0.55141000 0.30273000 0.33085715 0.41855000 0.30273000 0.52258715 0.41855000 0.30273000 0.58093715 0.28970000 0.30273000 0.58188715 0.55141000 0.30273000 0.77251715 0.28970000 0.30273000 0.77155715 0.55141000 0.30273000 0.83085715 0.41855000 0.46939000 0.17672715 0.36843000 0.46939000 0.17672715 0.46761000 0.46939000 0.42672715 0.24014000 0.46939000 0.42672715 0.33927000 0.46939000 0.42672715 0.49881000 0.46939000 0.42672715 0.59658000 0.46939000 0.67672715 0.36843000 0.46939000 0.67672715 0.46761000 0.46939000 0.92672715 0.24014000 0.46939000 0.92672715 0.33927000 0.46939000 0.92672715 0.49881000 0.46939000 0.92672715 0.59658000 0.63606000 0.02258715 0.41855000 0.63606000 0.08093715 0.28970000 0.63606000 0.08188715 0.55141000 0.63606000 0.27251715 0.28970000 0.63606000 0.27155715 0.55141000 0.63606000 0.33085715 0.41855000 0.63606000 0.52258715 0.41855000 0.63606000 0.58093715 0.28970000 0.63606000 0.58188715 0.55141000 0.63606000 0.77251715 0.28970000 0.63606000 0.77155715 0.55141000 0.63606000 0.83085715 0.41855000 0.80273000 0.17672715 0.36843000 0.80273000 0.17672715 0.46761000 0.80273000 0.42672715 0.24014000 0.80273000 0.42672715 0.33927000 0.80273000 0.42672715 0.49881000 0.80273000 0.42672715 0.59658000 0.80273000 0.67672715 0.36843000 0.80273000 0.67672715 0.46761000 0.80273000 0.92672715 0.24014000 0.80273000 0.92672715 0.33927000 0.80273000 0.92672715 0.49881000 0.80273000 0.92672715 0.59658000 0.96939000 0.02258715 0.41855000 0.96939000 0.08093715 0.28970000 0.96939000 0.08188715 0.55141000 0.96939000 0.27251715 0.28970000 0.96939000 0.27155715 0.55141000 0.96939000 0.33085715 0.41855000 0.96939000 0.52258715 0.41855000 0.96939000 0.58093715 0.28970000 0.96939000 0.58188715 0.55141000 0.96939000 0.77251715 0.28970000 0.96939000 0.77155715 0.55141000 0.96939000 0.83085715 0.41855000 IrO2_Cl_opt 1.0 9.56291600 0.00000000 0.00000000 0.00000000 12.84581500 0.00000000 0.00000000 0.00000000 24.82676800 Cl Ir O 1 36 72 Direct 0.46701000 0.69461000 0.64048000 0.13606000 0.20670000 0.28970000 0.13483000 0.19863000 0.54527000 0.13576000 0.45236000 0.41872000 0.13606000 0.70670000 0.28970000 0.13522000 0.69864000 0.54504000 0.13575000 0.95220000 0.41890000 0.30273000 0.20251000 0.41771000 0.30273000 0.45670000 0.28970000 0.30192000 0.44881000 0.54853000 0.30368000 0.70233000 0.41798000 0.30273000 0.95670000 0.28970000 0.30168000 0.94887000 0.54869000 0.46939000 0.20670000 0.28970000 0.46821000 0.19869000 0.54546000 0.46911000 0.45231000 0.41861000 0.46939000 0.70670000 0.28970000 0.46832000 0.69889000 0.54898000 0.46901000 0.95250000 0.41880000 0.63612000 0.20251000 0.41772000 0.63606000 0.45670000 0.28970000 0.63505000 0.44882000 0.54857000 0.63469000 0.70252000 0.41800000 0.63606000 0.95670000 0.28970000 0.63494000 0.94890000 0.54870000 0.80273000 0.20670000 0.28970000 0.80158000 0.19861000 0.54530000 0.80245000 0.45243000 0.41871000 0.80273000 0.70670000 0.28970000 0.80153000 0.69864000 0.54508000 0.80238000 0.95221000 0.41891000 0.96941000 0.20249000 0.41767000 0.96939000 0.45670000 0.28970000 0.96847000 0.44872000 0.54883000 0.96924000 0.70229000 0.41768000 0.96939000 0.95670000 0.28970000 0.96836000 0.94882000 0.54900000 0.13609000 0.18739000 0.36834000 0.13600000 0.21758000 0.46721000 0.13606000 0.45670000 0.24014000 0.13606000 0.45670000 0.33927000 0.13498000 0.44832000 0.49843000 0.13572000 0.45155000 0.59601000 0.13682000 0.68888000 0.36862000 0.13541000 0.71629000 0.46715000 0.13606000 0.95670000 0.24014000 0.13606000 0.95670000 0.33927000 0.13494000 0.94819000 0.49855000 0.13546000 0.95230000 0.59620000 0.30229000 0.04806000 0.42198000 0.30273000 0.11091000 0.28970000 0.30167000 0.10401000 0.54893000 0.30273000 0.30249000 0.28970000 0.30140000 0.29417000 0.55132000 0.30266000 0.35675000 0.41528000 0.30231000 0.54777000 0.42097000 0.30273000 0.61091000 0.28970000 0.30094000 0.60320000 0.54645000 0.30273000 0.80249000 0.28970000 0.30091000 0.79452000 0.54913000 0.30320000 0.85637000 0.41556000 0.46943000 0.18733000 0.36837000 0.46935000 0.21758000 0.46728000 0.46939000 0.45670000 0.24014000 0.46939000 0.45670000 0.33927000 0.46865000 0.44793000 0.49821000 0.46850000 0.44788000 0.59575000 0.46925000 0.68650000 0.36842000 0.46914000 0.70526000 0.46803000 0.46939000 0.95670000 0.24014000 0.46939000 0.95670000 0.33927000 0.46841000 0.94854000 0.49838000 0.46825000 0.95303000 0.59593000 0.63584000 0.04810000 0.42200000 0.63606000 0.11091000 0.28970000 0.63497000 0.10403000 0.54893000 0.63606000 0.30249000 0.28970000 0.63513000 0.29411000 0.55138000 0.63600000 0.35677000 0.41526000 0.63587000 0.54785000 0.42100000 0.63606000 0.61091000 0.28970000 0.63603000 0.60326000 0.54673000 0.63606000 0.80249000 0.28970000 0.63566000 0.79459000 0.54930000 0.63516000 0.85660000 0.41564000 0.80271000 0.18727000 0.36834000 0.80287000 0.21747000 0.46721000 0.80273000 0.45670000 0.24014000 0.80273000 0.45670000 0.33927000 0.80202000 0.44839000 0.49842000 0.80147000 0.45172000 0.59600000 0.80160000 0.68932000 0.36863000 0.80290000 0.71641000 0.46720000 0.80273000 0.95670000 0.24014000 0.80273000 0.95670000 0.33927000 0.80199000 0.94821000 0.49857000 0.80133000 0.95283000 0.59613000 0.96908000 0.04792000 0.42190000 0.96939000 0.11091000 0.28970000 0.96838000 0.10394000 0.54893000 0.96939000 0.30249000 0.28970000 0.96826000 0.29398000 0.55162000 0.96923000 0.35688000 0.41549000 0.96916000 0.54813000 0.42153000 0.96939000 0.61091000 0.28970000 0.96857000 0.60410000 0.54909000 0.96939000 0.80249000 0.28970000 0.96836000 0.79382000 0.55205000 0.96930000 0.85660000 0.41540000 IrO2/PtO2_opt 1.0 9.51671200 0.00000000 0.00000000 0.00000000 12.82739000 0.00000000 0.00000000 0.00000000 28.47642400 Ir O Pt 25 96 23 Direct 0.14098000 0.21835000 0.22670000 0.14098000 0.71835000 0.22670000 0.14184000 0.46428000 0.33935000 0.14165000 0.96437000 0.33920000 0.30748000 0.46818000 0.22837000 0.30748000 0.96818000 0.22837000 0.30819000 0.21426000 0.33944000 0.30797000 0.71405000 0.33889000 0.47431000 0.21835000 0.22670000 0.47431000 0.71835000 0.22670000 0.47576000 0.46401000 0.33958000 0.47500000 0.96430000 0.33920000 0.64081000 0.46818000 0.22837000 0.64081000 0.96818000 0.22837000 0.64149000 0.21410000 0.33939000 0.64140000 0.71399000 0.33884000 0.80765000 0.21835000 0.22670000 0.80765000 0.71835000 0.22670000 0.80819000 0.46408000 0.33966000 0.80832000 0.96431000 0.33921000 0.80974000 0.47471000 0.56574000 0.97414000 0.46818000 0.22837000 0.97414000 0.96818000 0.22837000 0.97482000 0.21422000 0.33944000 0.97471000 0.71406000 0.33892000 0.14078000 0.45654000 0.27059000 0.14078000 0.95654000 0.27059000 0.14090000 0.48078000 0.18650000 0.14090000 0.98078000 0.18650000 0.14124000 0.23097000 0.29628000 0.14108000 0.73119000 0.29597000 0.14183000 0.20015000 0.38292000 0.14157000 0.69943000 0.38207000 0.14750000 0.22231000 0.61287000 0.14724000 0.70975000 0.61043000 0.14679000 0.24083000 0.52476000 0.14660000 0.74505000 0.52321000 0.14375000 0.48724000 0.40788000 0.14339000 0.98639000 0.40753000 0.14506000 0.44862000 0.49478000 0.14413000 0.94920000 0.49474000 0.30745000 0.12021000 0.22842000 0.30745000 0.62021000 0.22842000 0.30759000 0.31644000 0.22639000 0.30759000 0.81644000 0.22639000 0.30828000 0.06061000 0.33488000 0.30869000 0.56038000 0.33514000 0.30845000 0.36852000 0.34229000 0.30798000 0.86854000 0.34191000 0.31441000 0.38144000 0.58085000 0.31393000 0.87920000 0.57941000 0.31064000 0.31428000 0.44014000 0.31024000 0.81491000 0.43880000 0.31408000 0.06994000 0.57196000 0.31519000 0.56975000 0.55895000 0.31070000 0.12333000 0.46646000 0.31050000 0.62483000 0.46518000 0.47411000 0.45654000 0.27059000 0.47411000 0.95654000 0.27059000 0.47423000 0.48078000 0.18650000 0.47423000 0.98078000 0.18650000 0.47454000 0.23065000 0.29624000 0.47444000 0.73116000 0.29594000 0.47520000 0.20028000 0.38286000 0.47485000 0.69870000 0.38187000 0.48218000 0.22119000 0.61227000 0.48129000 0.71354000 0.60981000 0.47898000 0.23555000 0.52451000 0.47921000 0.74644000 0.52259000 0.47912000 0.48506000 0.40834000 0.47680000 0.98607000 0.40761000 0.47245000 0.44485000 0.49577000 0.47755000 0.94971000 0.49490000 0.64078000 0.12021000 0.22842000 0.64078000 0.62021000 0.22842000 0.64092000 0.31644000 0.22639000 0.64092000 0.81644000 0.22639000 0.64158000 0.06060000 0.33489000 0.64187000 0.56028000 0.33477000 0.64167000 0.36819000 0.34217000 0.64134000 0.86849000 0.34192000 0.64876000 0.37771000 0.56293000 0.64762000 0.87918000 0.58037000 0.64444000 0.31389000 0.44080000 0.64381000 0.81476000 0.43864000 0.64810000 0.06896000 0.57347000 0.64809000 0.57090000 0.55228000 0.64430000 0.12312000 0.46658000 0.64367000 0.62488000 0.46423000 0.80744000 0.45654000 0.27059000 0.80744000 0.95654000 0.27059000 0.80756000 0.48078000 0.18650000 0.80756000 0.98078000 0.18650000 0.80796000 0.23066000 0.29624000 0.80791000 0.73123000 0.29594000 0.80828000 0.20036000 0.38282000 0.80824000 0.69857000 0.38194000 0.81302000 0.22145000 0.61236000 0.81226000 0.71242000 0.60981000 0.81512000 0.23513000 0.52454000 0.81366000 0.74569000 0.52270000 0.80891000 0.48498000 0.40859000 0.81014000 0.98614000 0.40756000 0.81728000 0.44619000 0.49688000 0.81075000 0.94921000 0.49485000 0.97412000 0.12021000 0.22842000 0.97412000 0.62021000 0.22842000 0.97425000 0.31644000 0.22639000 0.97425000 0.81644000 0.22639000 0.97491000 0.06063000 0.33487000 0.97478000 0.56031000 0.33532000 0.97477000 0.36845000 0.34236000 0.97467000 0.86854000 0.34192000 0.97888000 0.38147000 0.57948000 0.98144000 0.87858000 0.57850000 0.97782000 0.31419000 0.44019000 0.97704000 0.81472000 0.43889000 0.98156000 0.06984000 0.57161000 0.97658000 0.56875000 0.56552000 0.97809000 0.12326000 0.46637000 0.97756000 0.62446000 0.46577000 0.14712000 0.47428000 0.56816000 0.14815000 0.97379000 0.56724000 0.14435000 0.21960000 0.45388000 0.14374000 0.72023000 0.45292000 0.31359000 0.22655000 0.56926000 0.31414000 0.72482000 0.56716000 0.31026000 0.46985000 0.45186000 0.31048000 0.96952000 0.45131000 0.48502000 0.47495000 0.56609000 0.48128000 0.97365000 0.56759000 0.47731000 0.21919000 0.45387000 0.47686000 0.72027000 0.45245000 0.64735000 0.22311000 0.56814000 0.64645000 0.72557000 0.56631000 0.64420000 0.46880000 0.45316000 0.64391000 0.96933000 0.45137000 0.81470000 0.97358000 0.56756000 0.81130000 0.21905000 0.45385000 0.81064000 0.72008000 0.45257000 0.98131000 0.22651000 0.56935000 0.98006000 0.72426000 0.56721000 0.97874000 0.46955000 0.45203000 0.97718000 0.96941000 0.45133000 IrO2/PtO2-Ir_opt 1.0 9.51671200 0.00000000 0.00000000 0.00000000 12.82739000 0.00000000 0.00000000 0.00000000 28.47642400 Cl Ir O Pt 1 25 96 23 Direct 0.81977000 0.49181000 0.64663000 0.14098000 0.21835000 0.22670000 0.14098000 0.71835000 0.22670000 0.14150000 0.46362000 0.33929000 0.14204000 0.96376000 0.33916000 0.30748000 0.46818000 0.22837000 0.30748000 0.96818000 0.22837000 0.30855000 0.21371000 0.33938000 0.30822000 0.71341000 0.33926000 0.47431000 0.21835000 0.22670000 0.47431000 0.71835000 0.22670000 0.47580000 0.46367000 0.33928000 0.47533000 0.96378000 0.33918000 0.64081000 0.46818000 0.22837000 0.64081000 0.96818000 0.22837000 0.64191000 0.21361000 0.33933000 0.64159000 0.71356000 0.33913000 0.80765000 0.21835000 0.22670000 0.80765000 0.71835000 0.22670000 0.80868000 0.46381000 0.33949000 0.80866000 0.96377000 0.33918000 0.81520000 0.47530000 0.56796000 0.97414000 0.46818000 0.22837000 0.97414000 0.96818000 0.22837000 0.97515000 0.21357000 0.33933000 0.97499000 0.71354000 0.33912000 0.14078000 0.45654000 0.27059000 0.14078000 0.95654000 0.27059000 0.14090000 0.48078000 0.18650000 0.14090000 0.98078000 0.18650000 0.14162000 0.23072000 0.29625000 0.14129000 0.73076000 0.29615000 0.14209000 0.19880000 0.38278000 0.14175000 0.69745000 0.38251000 0.14765000 0.22128000 0.61248000 0.14661000 0.71575000 0.61136000 0.14841000 0.23800000 0.52451000 0.14810000 0.74291000 0.52375000 0.14198000 0.48243000 0.40794000 0.14395000 0.98481000 0.40751000 0.14609000 0.44802000 0.49442000 0.14446000 0.94847000 0.49474000 0.30745000 0.12021000 0.22842000 0.30745000 0.62021000 0.22842000 0.30759000 0.31644000 0.22639000 0.30759000 0.81644000 0.22639000 0.30867000 0.06002000 0.33479000 0.30832000 0.55977000 0.33567000 0.30843000 0.36812000 0.34221000 0.30843000 0.86799000 0.34205000 0.31487000 0.38107000 0.58075000 0.31479000 0.88008000 0.57860000 0.31173000 0.31301000 0.43982000 0.31122000 0.81347000 0.43934000 0.31488000 0.07047000 0.57153000 0.31493000 0.56956000 0.57302000 0.31162000 0.12244000 0.46620000 0.31130000 0.62267000 0.46610000 0.47411000 0.45654000 0.27059000 0.47411000 0.95654000 0.27059000 0.47423000 0.48078000 0.18650000 0.47423000 0.98078000 0.18650000 0.47480000 0.23072000 0.29625000 0.47460000 0.73072000 0.29616000 0.47588000 0.19893000 0.38280000 0.47528000 0.69739000 0.38252000 0.48202000 0.22133000 0.61251000 0.48271000 0.71601000 0.61140000 0.48061000 0.23858000 0.52454000 0.48040000 0.74273000 0.52376000 0.47971000 0.48200000 0.40804000 0.47714000 0.98488000 0.40752000 0.47701000 0.44806000 0.49461000 0.47779000 0.94844000 0.49475000 0.64078000 0.12021000 0.22842000 0.64078000 0.62021000 0.22842000 0.64092000 0.31644000 0.22639000 0.64092000 0.81644000 0.22639000 0.64198000 0.06003000 0.33479000 0.64211000 0.55994000 0.33480000 0.64208000 0.36794000 0.34210000 0.64176000 0.86804000 0.34206000 0.64912000 0.38052000 0.57291000 0.64766000 0.87993000 0.57911000 0.64558000 0.31317000 0.44043000 0.64432000 0.81357000 0.43926000 0.64807000 0.07034000 0.57210000 0.65018000 0.56988000 0.56358000 0.64486000 0.12237000 0.46651000 0.64469000 0.62348000 0.46596000 0.80744000 0.45654000 0.27059000 0.80744000 0.95654000 0.27059000 0.80756000 0.48078000 0.18650000 0.80756000 0.98078000 0.18650000 0.80817000 0.23043000 0.29620000 0.80803000 0.73122000 0.29604000 0.80894000 0.19874000 0.38270000 0.80859000 0.69828000 0.38232000 0.81508000 0.22067000 0.61213000 0.81488000 0.71984000 0.61083000 0.81447000 0.23879000 0.52416000 0.81421000 0.74524000 0.52321000 0.81088000 0.48568000 0.40794000 0.81051000 0.98478000 0.40755000 0.81175000 0.45409000 0.49699000 0.81121000 0.94885000 0.49475000 0.97412000 0.12021000 0.22842000 0.97412000 0.62021000 0.22842000 0.97425000 0.31644000 0.22639000 0.97425000 0.81644000 0.22639000 0.97536000 0.06000000 0.33479000 0.97508000 0.55991000 0.33482000 0.97479000 0.36787000 0.34211000 0.97513000 0.86802000 0.34206000 0.98109000 0.38051000 0.57187000 0.98184000 0.87994000 0.57942000 0.97770000 0.31333000 0.44041000 0.97800000 0.81365000 0.43921000 0.98165000 0.07021000 0.57238000 0.97997000 0.56995000 0.56151000 0.97846000 0.12235000 0.46647000 0.97824000 0.62362000 0.46576000 0.14995000 0.47502000 0.56704000 0.14826000 0.97447000 0.56731000 0.14500000 0.21859000 0.45373000 0.14479000 0.71905000 0.45329000 0.31486000 0.22624000 0.56916000 0.31463000 0.72564000 0.56840000 0.31136000 0.46824000 0.45131000 0.31098000 0.96843000 0.45127000 0.48067000 0.47487000 0.56752000 0.48167000 0.97454000 0.56727000 0.47840000 0.21858000 0.45377000 0.47779000 0.71898000 0.45333000 0.64816000 0.22545000 0.56867000 0.64830000 0.72616000 0.56769000 0.64499000 0.46840000 0.45218000 0.64433000 0.96841000 0.45130000 0.81504000 0.97423000 0.56734000 0.81174000 0.21821000 0.45371000 0.81122000 0.71921000 0.45310000 0.98160000 0.22530000 0.56860000 0.98108000 0.72615000 0.56759000 0.97771000 0.46856000 0.45210000 0.97765000 0.96839000 0.45130000