quantum_package/src/BiInts/tests/test_mo.ref

data = {
  'AlCl.ezfio' : {
 'closed EE 1' : 324.604108318567,
'closed EE 2' : 324.604108318567,
 },
 'Al.ezfio' : {
 'closed EE 1' : 90.6007174995339,
'closed EE 2' : 90.6007174995339,
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 'Al+.ezfio' : {
 'closed EE 1' : 91.1277124469289,
'closed EE 2' : 91.1277124469289,
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 'AlH2.ezfio' : {
 'closed EE 1' : 98.3932867799503,
'closed EE 2' : 98.3932867799503,
 },
 'AlH3.ezfio' : {
 'closed EE 1' : 108.322607071765,
'closed EE 2' : 108.322607071765,
 },
 'AlH.ezfio' : {
 'closed EE 1' : 98.9361676259577,
'closed EE 2' : 98.9361676259577,
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 'BCl.ezfio' : {
 'closed EE 1' : 208.669206621826,
'closed EE 2' : 208.669206621826,
 },
 'BeCl.ezfio' : {
 'closed EE 1' : 195.478154262549,
'closed EE 2' : 195.478154262549,
 },
 'Be.ezfio' : {
 'closed EE 1' : 4.48960803917240,
'closed EE 2' : 4.48960803917240,
 },
 'Be+.ezfio' : {
 'closed EE 1' : 2.27296598314244,
'closed EE 2' : 2.27296598314244,
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 'BeF.ezfio' : {
 'closed EE 1' : 55.2667378076567,
'closed EE 2' : 55.2667378076567,
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 'BeH2.ezfio' : {
 'closed EE 1' : 7.91863331588170,
'closed EE 2' : 7.91863331588170,
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 'BeH.ezfio' : {
 'closed EE 1' : 4.60494282657902,
'closed EE 2' : 4.60494282657902,
 },
 'BeO.ezfio' : {
 'closed EE 1' : 47.0178059698967,
'closed EE 2' : 47.0178059698967,
 },
 'BeOH.ezfio' : {
 'closed EE 1' : 47.4095700462092,
'closed EE 2' : 47.4095700462092,
 },
 'BeS.ezfio' : {
 'closed EE 1' : 177.044582851287,
'closed EE 2' : 177.044582851287,
 },
 'B.ezfio' : {
 'closed EE 1' : 5.87051480040891,
'closed EE 2' : 5.87051480040891,
 },
 'B+.ezfio' : {
 'closed EE 1' : 6.08872058329241,
'closed EE 2' : 6.08872058329241,
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 'BH2.ezfio' : {
 'closed EE 1' : 9.82092714954701,
'closed EE 2' : 9.82092714954701,
 },
 'BH3.ezfio' : {
 'closed EE 1' : 15.1738039588984,
'closed EE 2' : 15.1738039588984,
 },
 'BH.ezfio' : {
 'closed EE 1' : 9.89523045878027,
'closed EE 2' : 9.89523045878027,
 },
 'BO.ezfio' : {
 'closed EE 1' : 49.5244841428460,
'closed EE 2' : 49.5244841428460,
 },
 'BS.ezfio' : {
 'closed EE 1' : 179.847811135927,
'closed EE 2' : 179.847811135927,
 },
 'C2.ezfio' : {
 'closed EE 1' : 40.1266484535661,
'closed EE 2' : 40.1266484535661,
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 'C2H2.ezfio' : {
 'closed EE 1' : 50.0072453359780,
'closed EE 2' : 50.0072453359780,
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 'C2H2+.ezfio' : {
 'closed EE 1' : 38.8813663363468,
'closed EE 2' : 38.8813663363468,
 },
 'C2H3.ezfio' : {
 'closed EE 1' : 47.7960364243417,
'closed EE 2' : 47.7960364243417,
 },
 'C2H3+.ezfio' : {
 'closed EE 1' : 49.4483058762631,
'closed EE 2' : 49.4483058762631,
 },
 'C2H4.ezfio' : {
 'closed EE 1' : 58.5930731008834,
'closed EE 2' : 58.5930731008834,
 },
 'C2H4+.ezfio' : {
 'closed EE 1' : 46.8050385693024,
'closed EE 2' : 46.8050385693024,
 },
 'C2H5.ezfio' : {
 'closed EE 1' : 55.8648362479812,
'closed EE 2' : 55.8648362479812,
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 'C2H6.ezfio' : {
 'closed EE 1' : 67.4231505770701,
'closed EE 2' : 67.4231505770701,
 },
 'C2H.ezfio' : {
 'closed EE 1' : 39.7941997946625,
'closed EE 2' : 39.7941997946625,
 },
 'CCl.ezfio' : {
 'closed EE 1' : 211.332787485635,
'closed EE 2' : 211.332787485635,
 },
 'C-.ezfio' : {
 'closed EE 1' : 7.05668474724391,
'closed EE 2' : 7.05668474724391,
 },
 'C.ezfio' : {
 'closed EE 1' : 7.22275234701424,
'closed EE 2' : 7.22275234701424,
 },
 'C+.ezfio' : {
 'closed EE 1' : 7.43316493990123,
'closed EE 2' : 7.43316493990123,
 },
 'CF.ezfio' : {
 'closed EE 1' : 67.5749607457798,
'closed EE 2' : 67.5749607457798,
 },
 'CH2_1A1.ezfio' : {
 'closed EE 1' : 18.6032101860148,
'closed EE 2' : 18.6032101860148,
 },
 'CH2_3B1.ezfio' : {
 'closed EE 1' : 11.7811748791077,
'closed EE 2' : 11.7811748791077,
 },
 'CH2-.ezfio' : {
 'closed EE 1' : 17.4224231187863,
'closed EE 2' : 17.4224231187863,
 },
 'CH3-.ezfio' : {
 'closed EE 1' : 25.0349104359763,
'closed EE 2' : 25.0349104359763,
 },
 'CH3.ezfio' : {
 'closed EE 1' : 18.1595297280646,
'closed EE 2' : 18.1595297280646,
 },
 'CH4.ezfio' : {
 'closed EE 1' : 26.0266830207216,
'closed EE 2' : 26.0266830207216,
 },
 'CH4+.ezfio' : {
 'closed EE 1' : 18.4285252097398,
'closed EE 2' : 18.4285252097398,
 },
 'CH-.ezfio' : {
 'closed EE 1' : 11.4343449775700,
'closed EE 2' : 11.4343449775700,
 },
 'CH.ezfio' : {
 'closed EE 1' : 12.0838764958443,
'closed EE 2' : 12.0838764958443,
 },
 'Cl2-.ezfio' : {
 'closed EE 1' : 402.671444472536,
'closed EE 2' : 402.671444472536,
 },
 'Cl2.ezfio' : {
 'closed EE 1' : 425.050531461454,
'closed EE 2' : 425.050531461454,
 },
 'Cl2+.ezfio' : {
 'closed EE 1' : 403.762363169362,
'closed EE 2' : 403.762363169362,
 },
 'Cl-.ezfio' : {
 'closed EE 1' : 182.327075272228,
'closed EE 2' : 182.327075272228,
 },
 'Cl.ezfio' : {
 'closed EE 1' : 165.731725346204,
'closed EE 2' : 165.731725346204,
 },
 'Cl+.ezfio' : {
 'closed EE 1' : 149.193201694481,
'closed EE 2' : 149.193201694481,
 },
 'ClH2+.ezfio' : {
 'closed EE 1' : 182.780324107490,
'closed EE 2' : 182.780324107490,
 },
 'ClH.ezfio' : {
 'closed EE 1' : 182.691147725717,
'closed EE 2' : 182.691147725717,
 },
 'ClH+.ezfio' : {
 'closed EE 1' : 165.325459132812,
'closed EE 2' : 165.325459132812,
 },
 'ClS.ezfio' : {
 'closed EE 1' : 385.435861712905,
'closed EE 2' : 385.435861712905,
 },
 'ClSiH3.ezfio' : {
 'closed EE 1' : 372.487466205289,
'closed EE 2' : 372.487466205289,
 },
 'CN-.ezfio' : {
 'closed EE 1' : 55.3766122391237,
'closed EE 2' : 55.3766122391237,
 },
 'CN.ezfio' : {
 'closed EE 1' : 45.1366654659749,
'closed EE 2' : 45.1366654659749,
 },
 'CO2.ezfio' : {
 'closed EE 1' : 126.003917383945,
'closed EE 2' : 126.003917383945,
 },
 'CO.ezfio' : {
 'closed EE 1' : 62.7345020629198,
'closed EE 2' : 62.7345020629198,
 },
 'CO+.ezfio' : {
 'closed EE 1' : 52.0257806106742,
'closed EE 2' : 52.0257806106742,
 },
 'COS.ezfio' : {
 'closed EE 1' : 270.518850152602,
'closed EE 2' : 270.518850152602,
 },
 'CP.ezfio' : {
 'closed EE 1' : 165.996004819480,
'closed EE 2' : 165.996004819480,
 },
 'CS2.ezfio' : {
 'closed EE 1' : 423.926547892897,
'closed EE 2' : 423.926547892897,
 },
 'CS.ezfio' : {
 'closed EE 1' : 196.955019712066,
'closed EE 2' : 196.955019712066,
 },
 'CS+.ezfio' : {
 'closed EE 1' : 183.101079356045,
'closed EE 2' : 183.101079356045,
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 'CSi.ezfio' : {
 'closed EE 1' : 136.339370158432,
'closed EE 2' : 136.339370158432,
 },
 'F2.ezfio' : {
 'closed EE 1' : 109.589586860957,
'closed EE 2' : 109.589586860957,
 },
 'FAl.ezfio' : {
 'closed EE 1' : 172.329074560241,
'closed EE 2' : 172.329074560241,
 },
 'FCl.ezfio' : {
 'closed EE 1' : 263.250821798940,
'closed EE 2' : 263.250821798940,
 },
 'FCl+.ezfio' : {
 'closed EE 1' : 243.398671131879,
'closed EE 2' : 243.398671131879,
 },
 'F-.ezfio' : {
 'closed EE 1' : 45.5127217885110,
'closed EE 2' : 45.5127217885110,
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 'F.ezfio' : {
 'closed EE 1' : 32.5100994559105,
'closed EE 2' : 32.5100994559105,
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 'F+.ezfio' : {
 'closed EE 1' : 21.0616333765295,
'closed EE 2' : 21.0616333765295,
 },
 'FH.ezfio' : {
 'closed EE 1' : 45.4165968585922,
'closed EE 2' : 45.4165968585922,
 },
 'FH+.ezfio' : {
 'closed EE 1' : 32.0966404042882,
'closed EE 2' : 32.0966404042882,
 },
 'FMg.ezfio' : {
 'closed EE 1' : 147.723081703366,
'closed EE 2' : 147.723081703366,
 },
 'FNa.ezfio' : {
 'closed EE 1' : 136.229809908309,
'closed EE 2' : 136.229809908309,
 },
 'FP.ezfio' : {
 'closed EE 1' : 195.769918393858,
'closed EE 2' : 195.769918393858,
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 'FS.ezfio' : {
 'closed EE 1' : 226.988766049930,
'closed EE 2' : 226.988766049930,
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 'FSi.ezfio' : {
 'closed EE 1' : 184.557018579786,
'closed EE 2' : 184.557018579786,
 },
 'FSiH3.ezfio' : {
 'closed EE 1' : 213.848410787899,
'closed EE 2' : 213.848410787899,
 },
 'H2CNH.ezfio' : {
 'closed EE 1' : 64.8118892917432,
'closed EE 2' : 64.8118892917432,
 },
 'H2CO.ezfio' : {
 'closed EE 1' : 72.1212876559760,
'closed EE 2' : 72.1212876559760,
 },
 'H2CPH.ezfio' : {
 'closed EE 1' : 191.727599087985,
'closed EE 2' : 191.727599087985,
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 'H2CS.ezfio' : {
 'closed EE 1' : 209.231104868214,
'closed EE 2' : 209.231104868214,
 },
 'H2.ezfio' : {
 'closed EE 1' : 0.658003361873990,
'closed EE 2' : 0.658003361873990,
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 'H2NNH2.ezfio' : {
 'closed EE 1' : 80.4177432036452,
'closed EE 2' : 80.4177432036452,
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 'H2PPH2.ezfio' : {
 'closed EE 1' : 348.965444263036,
'closed EE 2' : 348.965444263036,
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 'H3CCl.ezfio' : {
 'closed EE 1' : 239.272625318642,
'closed EE 2' : 239.272625318642,
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 'H3CF.ezfio' : {
 'closed EE 1' : 89.9110566746969,
'closed EE 2' : 89.9110566746969,
 },
 'H3CNH2.ezfio' : {
 'closed EE 1' : 74.0553942748957,
'closed EE 2' : 74.0553942748957,
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 'H3COH.ezfio' : {
 'closed EE 1' : 81.4464317182977,
'closed EE 2' : 81.4464317182977,
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 'H3CSH.ezfio' : {
 'closed EE 1' : 220.631290723648,
'closed EE 2' : 220.631290723648,
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 'H3SiSiH3.ezfio' : {
 'closed EE 1' : 313.726268238800,
'closed EE 2' : 313.726268238800,
 },
 'HBO.ezfio' : {
 'closed EE 1' : 58.0559325869888,
'closed EE 2' : 58.0559325869888,
 },
 'HBS.ezfio' : {
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'closed EE 2' : 191.322628710909,
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 'HCF.ezfio' : {
 'closed EE 1' : 79.0947411389797,
'closed EE 2' : 79.0947411389797,
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 'HCN.ezfio' : {
 'closed EE 1' : 55.7130916664010,
'closed EE 2' : 55.7130916664010,
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 'HCO.ezfio' : {
 'closed EE 1' : 60.6786870182187,
'closed EE 2' : 60.6786870182187,
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 'HCP.ezfio' : {
 'closed EE 1' : 180.296919079404,
'closed EE 2' : 180.296919079404,
 },
 'H.ezfio' : {
 'closed EE 1' : 0.000000000000000E+000,
'closed EE 2' : 0.000000000000000E+000,
 },
 'HNO.ezfio' : {
 'closed EE 1' : 77.5573550103421,
'closed EE 2' : 77.5573550103421,
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 'HOCl.ezfio' : {
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'closed EE 2' : 253.799452346657,
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 'HOF.ezfio' : {
 'closed EE 1' : 101.663005370608,
'closed EE 2' : 101.663005370608,
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 'HOMg.ezfio' : {
 'closed EE 1' : 138.443726972836,
'closed EE 2' : 138.443726972836,
 },
 'HONa.ezfio' : {
 'closed EE 1' : 126.747456382832,
'closed EE 2' : 126.747456382832,
 },
 'HOO.ezfio' : {
 'closed EE 1' : 79.4438064643797,
'closed EE 2' : 79.4438064643797,
 },
 'HOOH.ezfio' : {
 'closed EE 1' : 93.6527230199755,
'closed EE 2' : 93.6527230199755,
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 'HSSH.ezfio' : {
 'closed EE 1' : 387.218345293825,
'closed EE 2' : 387.218345293825,
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 'Li2.ezfio' : {
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'closed EE 2' : 6.46521052077037,
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 'LiCl.ezfio' : {
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'closed EE 2' : 193.091759412769,
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 'Li.ezfio' : {
 'closed EE 1' : 1.64991166351969,
'closed EE 2' : 1.64991166351969,
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 'Li+.ezfio' : {
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'closed EE 2' : 1.65066035543863,
 },
 'LiF.ezfio' : {
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'closed EE 2' : 53.4448357111712,
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 'LiH.ezfio' : {
 'closed EE 1' : 3.45968704863106,
'closed EE 2' : 3.45968704863106,
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 'LiN.ezfio' : {
 'closed EE 1' : 19.4901024446162,
'closed EE 2' : 19.4901024446162,
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 'LiO.ezfio' : {
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'closed EE 2' : 33.6641656402794,
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 'LiOH.ezfio' : {
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'closed EE 2' : 45.3987062615096,
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 'MgCl.ezfio' : {
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'closed EE 2' : 297.457458920467,
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 'Mg.ezfio' : {
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'closed EE 2' : 79.8152268844060,
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 'Mg+.ezfio' : {
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'closed EE 2' : 72.1282818471152,
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 'MgH.ezfio' : {
 'closed EE 1' : 79.3190204144503,
'closed EE 2' : 79.3190204144503,
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 'MgS.ezfio' : {
 'closed EE 1' : 279.954838755823,
'closed EE 2' : 279.954838755823,
 },
 'N2.ezfio' : {
 'closed EE 1' : 61.5022395201583,
'closed EE 2' : 61.5022395201583,
 },
 'N2+.ezfio' : {
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'closed EE 2' : 48.5010781414573,
 },
 'Na2.ezfio' : {
 'closed EE 1' : 153.459222056420,
'closed EE 2' : 153.459222056420,
 },
 'NaCl.ezfio' : {
 'closed EE 1' : 285.552878597068,
'closed EE 2' : 285.552878597068,
 },
 'Na.ezfio' : {
 'closed EE 1' : 63.1438465495254,
'closed EE 2' : 63.1438465495254,
 },
 'Na+.ezfio' : {
 'closed EE 1' : 63.1844537555369,
'closed EE 2' : 63.1844537555369,
 },
 'NaH.ezfio' : {
 'closed EE 1' : 69.3524887715318,
'closed EE 2' : 69.3524887715318,
 },
 'N.ezfio' : {
 'closed EE 1' : 8.56327997038596,
'closed EE 2' : 8.56327997038596,
 },
 'N+.ezfio' : {
 'closed EE 1' : 8.76869142211657,
'closed EE 2' : 8.76869142211657,
 },
 'NF.ezfio' : {
 'closed EE 1' : 69.0051111837754,
'closed EE 2' : 69.0051111837754,
 },
 'NH2-.ezfio' : {
 'closed EE 1' : 30.6309164550511,
'closed EE 2' : 30.6309164550511,
 },
 'NH2.ezfio' : {
 'closed EE 1' : 21.9260220960358,
'closed EE 2' : 21.9260220960358,
 },
 'NH3.ezfio' : {
 'closed EE 1' : 31.4406045429538,
'closed EE 2' : 31.4406045429538,
 },
 'NH3+.ezfio' : {
 'closed EE 1' : 22.1802907966178,
'closed EE 2' : 22.1802907966178,
 },
 'NH4+.ezfio' : {
 'closed EE 1' : 31.8659857288766,
'closed EE 2' : 31.8659857288766,
 },
 'NH-.ezfio' : {
 'closed EE 1' : 21.6689399304262,
'closed EE 2' : 21.6689399304262,
 },
 'NH.ezfio' : {
 'closed EE 1' : 14.2929080048555,
'closed EE 2' : 14.2929080048555,
 },
 'NO-.ezfio' : {
 'closed EE 1' : 61.7198631648835,
'closed EE 2' : 61.7198631648835,
 },
 'NO.ezfio' : {
 'closed EE 1' : 64.6696341812441,
'closed EE 2' : 64.6696341812441,
 },
 'NP.ezfio' : {
 'closed EE 1' : 187.100108926969,
'closed EE 2' : 187.100108926969,
 },
 'NS.ezfio' : {
 'closed EE 1' : 200.128710693974,
'closed EE 2' : 200.128710693974,
 },
 'NSi.ezfio' : {
 'closed EE 1' : 155.279906480313,
'closed EE 2' : 155.279906480313,
 },
 'O2Cl.ezfio' : {
 'closed EE 1' : 301.747915430568,
'closed EE 2' : 301.747915430568,
 },
 'O2-.ezfio' : {
 'closed EE 1' : 79.2328963139684,
'closed EE 2' : 79.2328963139684,
 },
 'O2.ezfio' : {
 'closed EE 1' : 66.1914541099256,
'closed EE 2' : 66.1914541099256,
 },
 'O2+.ezfio' : {
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'closed EE 2' : 69.4144048026520,
 },
 'O2S.ezfio' : {
 'closed EE 1' : 312.243487598150,
'closed EE 2' : 312.243487598150,
 },
 'O2Si.ezfio' : {
 'closed EE 1' : 257.255582658461,
'closed EE 2' : 257.255582658461,
 },
 'O3.ezfio' : {
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'closed EE 2' : 152.241108922056,
 },
 'OCl.ezfio' : {
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'closed EE 2' : 236.412413075442,
 },
 'O-.ezfio' : {
 'closed EE 1' : 26.9389565391700,
'closed EE 2' : 26.9389565391700,
 },
 'O.ezfio' : {
 'closed EE 1' : 17.7360424805971,
'closed EE 2' : 17.7360424805971,
 },
 'O+.ezfio' : {
 'closed EE 1' : 10.1017140483289,
'closed EE 2' : 10.1017140483289,
 },
 'OH2.ezfio' : {
 'closed EE 1' : 37.8440317785205,
'closed EE 2' : 37.8440317785205,
 },
 'OH2+.ezfio' : {
 'closed EE 1' : 26.6519594351168,
'closed EE 2' : 26.6519594351168,
 },
 'OH3+.ezfio' : {
 'closed EE 1' : 38.1275235387040,
'closed EE 2' : 38.1275235387040,
 },
 'OH-.ezfio' : {
 'closed EE 1' : 37.4117044437012,
'closed EE 2' : 37.4117044437012,
 },
 'OH.ezfio' : {
 'closed EE 1' : 26.7707296794756,
'closed EE 2' : 26.7707296794756,
 },
 'OH+.ezfio' : {
 'closed EE 1' : 17.2889916223005,
'closed EE 2' : 17.2889916223005,
 },
 'OMg.ezfio' : {
 'closed EE 1' : 138.801601522175,
'closed EE 2' : 138.801601522175,
 },
 'ONa.ezfio' : {
 'closed EE 1' : 112.111906727576,
'closed EE 2' : 112.111906727576,
 },
 'OP-.ezfio' : {
 'closed EE 1' : 188.573528250670,
'closed EE 2' : 188.573528250670,
 },
 'OP.ezfio' : {
 'closed EE 1' : 191.910766225339,
'closed EE 2' : 191.910766225339,
 },
 'OPH.ezfio' : {
 'closed EE 1' : 208.214788904911,
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