mirror of
https://github.com/rdkit/rdkit.git
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486 lines
114 KiB
Plaintext
486 lines
114 KiB
Plaintext
BEGIN TRANSACTION;
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CREATE TABLE atomic_data (
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num integer,
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name character varying(2),
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config character varying(26),
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esup double precision,
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esdown double precision,
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epup double precision,
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epdown double precision,
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edup double precision,
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eddown double precision,
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efup double precision,
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efdown double precision,
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des double precision,
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dep double precision,
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ded double precision,
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def double precision,
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atomic_rad double precision,
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cov_rad double precision,
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slater_atomic_rad double precision,
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a_r_electroneg double precision,
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pauling_electroneg double precision,
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atomic_mass double precision,
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first_ip double precision,
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electron_affinity double precision,
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pearson_electroneg double precision,
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pearson_hardness double precision,
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polarizability double precision,
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mendeleev_number integer,
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miedema_phi double precision,
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miedema_n double precision,
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miedema_v double precision,
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metaltype integer,
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m_b_electroneg double precision,
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pp_core_radii_sum double precision,
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dh298 integer,
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mp integer,
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bp integer,
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density double precision,
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r_metallic double precision
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);
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INSERT INTO "atomic_data" VALUES(1,'H','1s^1',-2.72590208054,-7.31918621063,0.0,0.0,0.0,0.0,0.0,0.0,4.5932841301,0.0,0.0,0.0,2.07999992371,0.319999992847,0.52999997139,2.20000004768,2.20000004768,1.00794005394,13.5984401703,0.754194974899,7.1763176918,6.42212247849,0.666792988777,1,5.19999980927,1.5,1.41999995708,0,2.09999990463,1.25,1318,-259,-253,0.070000000298,0.370000004768);
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INSERT INTO "atomic_data" VALUES(2,'He','1s^2',-15.5220632553,-15.5220632553,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.930000007153,0.0,0.0,0.0,4.00260210037,24.5874099731,0.0,0.0,0.0,0.204955995083,103,0.0,0.0,0.0,0,0.0,0.0,2379,-270,-269,0.15000000596,0.0);
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INSERT INTO "atomic_data" VALUES(3,'Li','[He] 2s^1',-2.09133195877,-3.16482210159,0.0,0.0,0.0,0.0,0.0,0.0,1.07349002361,0.0,0.0,0.0,1.54999995232,1.23000001907,1.45000004768,0.97000002861,0.980000019073,6.94099998474,5.39171981812,0.617999970913,3.00485992432,2.3868598938,24.2999992371,12,2.84999990463,0.980000019073,5.53000020981,1,0.899999976158,1.61000001431,526,180,1330,0.52999997139,1.51999998093);
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INSERT INTO "atomic_data" VALUES(4,'Be','[He] 2s^2',-5.59858179092,-5.59858179092,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.12000000477,0.899999976158,1.04999995232,1.47000002861,1.57000005245,9.01218223572,9.32269954681,0.0,0.0,0.0,5.59999990463,77,5.05000019073,1.66999995708,2.88000011444,1,1.45000004768,1.08000004292,906,1280,2480,1.85000002384,1.12000000477);
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INSERT INTO "atomic_data" VALUES(5,'B','[He] 2s^2 2p^1',-8.67020511627,-9.8081035614,-3.07989501953,-4.10492086411,0.0,0.0,0.0,0.0,1.13789904118,1.02502596378,0.0,0.0,0.980000019073,0.819999992847,0.850000023842,2.00999999046,2.03999996185,10.8109998703,8.2980298996,0.277000010014,4.28751516342,4.01051521301,3.02999997139,85,5.30000019073,1.75,2.79999995232,0,1.89999997616,0.795000016689,807,2030,3900,2.33999991417,0.790000021458);
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INSERT INTO "atomic_data" VALUES(6,'C','[He] 2s^2 2p^2',-11.8387546539,-14.4567642212,-3.79013991356,-6.19214487076,0.0,0.0,0.0,0.0,2.61800909042,2.4020049572,0.0,0.0,0.910000026226,0.769999980927,0.699999988079,2.5,2.54999995232,12.0109996796,11.2602996826,1.26289999485,6.26160001755,4.99870014191,1.75999999046,95,6.23999977112,1.76999998093,2.20000004768,0,2.36999988556,0.639999985695,1093,3730,4830,2.25999999046,0.709999978542);
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INSERT INTO "atomic_data" VALUES(7,'N','[He] 2s^2 2p^3',-15.2752275467,-19.6128883362,-4.37300777435,-8.40418624878,0.0,0.0,0.0,0.0,4.33765983582,4.03117799759,0.0,0.0,0.920000016689,0.75,0.649999976158,3.06999993324,3.03999996185,14.0067396164,14.5341396332,0.0,0.0,0.0,1.10000002384,100,6.86000013351,7.65000009537,2.55999994278,0,2.84999990463,0.540000021458,1407,-210,-196,0.810000002384,0.730000019073);
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INSERT INTO "atomic_data" VALUES(8,'O','[He] 2s^2 2p^4',-21.8136920929,-24.9135055542,-7.41099786758,-10.3711633682,0.0,0.0,0.0,0.0,3.09981393814,2.9601650238,0.0,0.0,0.649999976158,0.730000019073,0.600000023842,3.5,3.44000005722,15.9994001389,13.618060112,1.46111035347,7.53958511353,6.07847499847,0.801999986172,101,0.0,0.0,0.0,0,3.31999993324,0.465000003576,1320,-219,-183,1.14999997616,0.740000009537);
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INSERT INTO "atomic_data" VALUES(9,'F','[He] 2s^2 2p^5',-28.684135437,-30.3153495789,-10.4478435516,-12.0315752029,0.0,0.0,0.0,0.0,1.63121497631,1.58373105526,0.0,0.0,0.569999992847,0.72000002861,0.5,4.09999990463,3.98000001907,18.9983997345,17.4228191376,3.4011900425,10.4120054245,7.01081514359,0.556999981403,102,0.0,0.0,0.0,0,3.77999997139,0.405000001192,1687,-220,-188,1.50999999046,0.709999978542);
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INSERT INTO "atomic_data" VALUES(10,'Ne','[He] 2s^2 2p^6',-35.9954833984,-35.9954833984,-13.5522022247,-13.5522022247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.509999990463,0.709999978542,0.0,0.0,0.0,20.1797008514,21.5645999908,0.0,0.0,0.0,0.395599991083,2,0.0,0.0,0.0,0,0.0,0.0,2087,-249,-246,1.20000004768,0.0);
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INSERT INTO "atomic_data" VALUES(11,'Na','[Ne] 3s^1',-2.21879005432,-3.0804669857,0.0,0.0,0.0,0.0,0.0,0.0,0.861675977707,0.0,0.0,0.0,1.89999997616,1.53999996185,1.79999995232,1.00999999046,0.930000007153,22.9897708893,5.13908004761,0.547926008701,2.84350299835,2.29557704926,24.0799999237,11,2.70000004768,0.819999992847,8.27000045776,1,0.889999985695,2.65000009537,502,98,892,0.97000002861,1.86000001431);
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INSERT INTO "atomic_data" VALUES(12,'Mg','[Ne] 3s^2',-4.77361392975,-4.77361392975,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.60000002384,1.36000001431,1.5,1.23000001907,1.30999994278,24.3050003052,7.64624023438,0.0,0.0,0.0,10.6000003815,73,3.45000004768,1.16999995708,5.80999994278,1,1.30999994278,2.02999997139,744,650,1110,1.74000000954,1.60000002384);
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INSERT INTO "atomic_data" VALUES(13,'Al','[Ne] 3s^2 3p^1',-7.39970493317,-8.06213855743,-2.41754198074,-3.02718710899,0.0,0.0,0.0,0.0,0.662433981895,0.609643995762,0.0,0.0,1.42999994755,1.17999994755,2.15000009537,1.47000002861,1.61000001431,26.9815406799,5.98577022552,0.441000014544,3.21338510513,2.77238488197,6.80000019073,80,4.19999980927,1.38999998569,4.63999986649,2,1.63999998569,1.67499995232,584,660,2450,2.70000004768,1.42999994755);
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INSERT INTO "atomic_data" VALUES(14,'Si','[Ne] 3s^2 3p^2',-9.83958816528,-11.3410043716,-3.29029393196,-4.63184309006,0.0,0.0,0.0,0.0,1.50141596794,1.34154903889,0.0,0.0,1.32000005245,1.11000001431,1.15999996662,1.74000000954,1.89999997616,28.0855007172,8.15168952942,1.38499999046,4.76834487915,3.38334488869,5.38000011444,85,4.69999980927,1.5,4.19999980927,0,1.98000001907,1.41999995708,793,1410,2680,2.32999992371,1.17999994755);
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INSERT INTO "atomic_data" VALUES(15,'P','[Ne] 3s^2 3p^3',-12.2498102188,-14.7022380829,-4.12233686447,-6.2961192131,0.0,0.0,0.0,0.0,2.4524269104,2.17378306389,0.0,0.0,1.27999997139,1.05999994278,1.0,2.05999994278,2.19000005722,30.9737606049,10.4866895676,0.746500015259,5.61659479141,4.87009477615,3.63000011444,90,5.55000019073,1.64999997616,4.15000009537,0,2.31999993324,1.24000000954,1018,44,280,1.82000005245,1.10000002384);
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INSERT INTO "atomic_data" VALUES(16,'S','[Ne] 3s^2 3p^4',-16.1379108429,-17.8551940918,-6.21195411682,-7.73644590378,0.0,0.0,0.0,0.0,1.71728396416,1.52449095249,0.0,0.0,1.26999998093,1.01999998093,1.0,2.44000005722,2.57999992371,32.0660018921,10.3600101471,2.07710409164,6.21855688095,4.14145278931,2.90000009537,94,0.0,0.0,0.0,0,2.65000009537,1.10000002384,1006,113,445,2.06999993324,1.01999998093);
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INSERT INTO "atomic_data" VALUES(17,'Cl','[Ne] 3s^2 3p^5',-20.0472106934,-20.9383296967,-8.28943634033,-9.08311080933,0.0,0.0,0.0,0.0,0.891119003296,0.793675005436,0.0,0.0,0.97000002861,0.990000009537,1.0,2.82999992371,3.16000008583,35.4527015686,12.9676399231,3.61268997192,8.29016494751,4.67747497559,2.18000006676,99,0.0,0.0,0.0,0,2.98000001907,1.00999999046,1257,-101,-35,1.55999994278,0.990000009537);
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INSERT INTO "atomic_data" VALUES(18,'Ar','[Ne] 3s^2 3p^6',-24.0381145477,-24.0381145477,-10.4037351608,-10.4037351608,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.879999995232,0.980000019073,0.0,3.20000004768,0.0,39.0983009338,15.7596197128,0.0,0.0,0.0,1.64110004902,3,0.0,0.0,0.0,0,0.0,0.0,1527,-189,-186,1.39999997616,0.0);
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INSERT INTO "atomic_data" VALUES(19,'K','[Ar] 4s^1',-2.02398395538,-2.61776399612,0.0,0.0,0.0,0.0,0.0,0.0,0.593779981136,0.0,0.0,0.0,2.34999990463,2.02999997139,2.20000004768,0.910000026226,0.819999992847,39.9480018616,4.34066009521,0.501470029354,2.42106509209,1.91959500313,43.4000015259,10,2.25,0.649999976158,12.7700004578,1,0.800000011921,3.69000005722,425,64,760,0.860000014305,2.26999998093);
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INSERT INTO "atomic_data" VALUES(20,'Ca','[Ar] 4s^2',-3.84799098969,-3.84799098969,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.97000002861,1.74000000954,1.79999995232,1.03999996185,1.0,40.077999115,6.11316013336,0.0245500002056,3.06885504723,3.04430508614,22.7999992371,16,2.54999995232,0.910000026226,8.81999969482,1,1.16999995708,3.0,596,838,1490,1.54999995232,1.97000002861);
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INSERT INTO "atomic_data" VALUES(21,'Sc','[Ar] 3d^1 4s^2',-4.1057100296,-4.38000106812,0.0,0.0,-3.19108104706,-3.84053492546,0.0,0.0,0.274291008711,0.0,0.649453997612,0.0,1.62000000477,1.44000005722,1.60000002384,1.20000004768,1.36000001431,44.955909729,6.56150007248,0.187999993563,3.37474989891,3.18674993515,17.7999992371,19,3.25,1.26999998093,6.09000015259,3,1.5,2.75,637,1540,2730,3.0,1.61000001431);
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INSERT INTO "atomic_data" VALUES(22,'Ti','[Ar] 3d^2 4s^2',-4.26193094254,-4.75584506989,0.0,0.0,-3.74589395523,-5.17106389999,0.0,0.0,0.493914008141,0.0,1.42516994476,0.0,1.45000004768,1.32000005245,1.39999997616,1.32000005245,1.53999996185,47.8800010681,6.82810020447,0.0790000036359,3.45355010033,3.37455010414,14.6000003815,51,3.79999995232,1.51999998093,4.82000017166,3,1.86000001431,2.57999992371,664,1670,3260,4.5,1.45000004768);
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INSERT INTO "atomic_data" VALUES(23,'V','[Ar] 3d^3 4s^2',-4.3844370842,-5.06894016266,0.0,0.0,-4.09229516983,-6.38003921509,0.0,0.0,0.684503018856,0.0,2.28774404526,0.0,1.34000003338,1.22000002861,1.35000002384,1.45000004768,1.62999999523,50.9415016174,6.74630022049,0.524999976158,3.63564991951,3.11065006256,12.3999996185,54,4.25,1.63999998569,4.11999988556,3,2.22000002861,2.43000006676,656,1900,3450,5.80000019073,1.30999994278);
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INSERT INTO "atomic_data" VALUES(24,'Cr','[Ar] 3d^5 4s^1',-2.56189894676,-4.53230381012,0.0,0.0,-0.307924002409,-3.98274207115,0.0,0.0,1.97040498257,0.0,3.67481803894,0.0,1.29999995232,1.17999994755,1.39999997616,1.55999994278,1.65999996662,51.9961013794,6.76649999619,0.666000008583,3.71624994278,3.05025005341,11.6000003815,57,4.65000009537,1.73000001907,3.74000000954,3,2.0,2.44000005722,659,1900,2642,7.78999996185,1.25);
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INSERT INTO "atomic_data" VALUES(25,'Mn','[Ar] 3d^5 4s^2',-4.5876789093,-5.60451412201,0.0,0.0,-4.3716468811,-8.58021736145,0.0,0.0,1.01683604717,0.0,4.20857000351,0.0,1.35000002384,1.16999995708,1.39999997616,1.60000002384,1.54999995232,54.9380493164,7.43402004242,0.0,0.0,0.0,9.39999961853,60,4.44999980927,1.66999995708,3.77999997139,3,2.03999996185,2.22000002861,724,1250,2110,7.42999982834,1.37000000477);
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INSERT INTO "atomic_data" VALUES(26,'Fe','[Ar] 3d^6 4s^2',-4.96915483475,-5.71406698227,0.0,0.0,-5.82084512711,-9.35538768768,0.0,0.0,0.744912028313,0.0,3.53454303741,0.0,1.25999999046,1.16999995708,1.39999997616,1.63999998569,1.83000004292,55.8470001221,7.90240001678,0.150999993086,4.02670001984,3.87569999695,8.39999961853,61,4.92999982834,1.76999998093,3.69000005722,3,1.66999995708,2.1099998951,766,1540,3000,7.86000013351,1.24000000954);
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INSERT INTO "atomic_data" VALUES(27,'Co','[Ar] 3d^7 4s^2',-5.28586912155,-5.80631399155,0.0,0.0,-7.16838121414,-9.92454242706,0.0,0.0,0.520444989204,0.0,2.7561609745,0.0,1.25,1.15999996662,1.35000002384,1.70000004768,1.87999999523,58.6934013367,7.88100004196,0.662000000477,4.27150011063,3.60949993134,7.5,64,5.09999990463,1.75,3.54999995232,3,1.72000002861,2.01999998093,764,1490,2900,8.89999961853,1.25);
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INSERT INTO "atomic_data" VALUES(28,'Ni','[Ar] 3d^8 4s^2',-5.56535720825,-5.89268302917,0.0,0.0,-8.44614601135,-10.3455018997,0.0,0.0,0.327325999737,0.0,1.89935600758,0.0,1.24000000954,1.14999997616,1.35000002384,1.75,1.90999996662,58.9332008362,7.63980007172,1.15600001812,4.39790010452,3.24189996719,6.80000019073,67,5.19999980927,1.70000004768,3.51999998093,3,1.75999999046,2.18000006676,743,1450,2730,8.89999961853,1.25);
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INSERT INTO "atomic_data" VALUES(29,'Cu','[Ar] 3d^10 4s^1',-4.18797111511,-5.00725078583,0.0,0.0,-5.36361217499,-5.50960111618,0.0,0.0,0.819280982018,0.0,0.145989000797,0.0,1.27999997139,1.16999995708,1.35000002384,1.75,1.89999997616,63.5460014343,7.72637987137,1.23500001431,4.48069000244,3.24569010735,6.09999990463,72,4.44999980927,1.47000002861,3.70000004768,3,1.08000004292,2.03999996185,752,1083,2600,8.96000003815,1.27999997139);
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INSERT INTO "atomic_data" VALUES(30,'Zn','[Ar] 3d^10 4s^2',-6.06065893173,-6.06065893173,0.0,0.0,-10.8558254242,-10.8558254242,0.0,0.0,0.0,0.0,0.0,0.0,1.37999999523,1.25,1.35000002384,1.65999996662,1.64999997616,65.3899993896,9.39420032501,0.0,0.0,0.0,7.09999990463,76,4.09999990463,1.32000005245,4.38000011444,3,1.39999997616,1.87999999523,913,419,906,7.13999986649,1.33000004292);
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INSERT INTO "atomic_data" VALUES(31,'Ga','[Ar] 3d^10 4s^2 4p^1',-8.56250190735,-9.1530714035,-2.4025220871,-2.99869608879,-19.9347457886,-20.0011959076,0.0,0.0,0.590569019318,0.596175014973,0.0664499998093,0.0,1.40999996662,1.25999999046,1.29999995232,1.82000005245,1.80999994278,69.7229995728,5.99930000305,0.300000011921,3.14965009689,2.84964990616,8.11999988556,81,4.09999990463,1.30999994278,5.19000005722,2,1.70000004768,1.69500005245,585,30,2400,5.90999984741,1.22000002861);
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INSERT INTO "atomic_data" VALUES(32,'Ge','[Ar] 3d^10 4s^2 4p^2',-10.7624616623,-12.0428676605,-3.27875590324,-4.50936412811,-30.1303119659,-30.2976341248,0.0,0.0,1.28040504456,1.23060798645,0.167322993279,0.0,1.37000000477,1.22000002861,1.25,2.01999998093,2.00999999046,72.6100006104,7.89940023422,1.23300004005,4.56619977951,3.33319997787,6.07000017166,84,4.55000019073,1.37000000477,4.59999990463,2,1.99000000954,1.55999994278,768,937,2830,5.32000017166,1.23000001907);
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INSERT INTO "atomic_data" VALUES(33,'As','[Ar] 3d^10 4s^2 4p^3',-12.8657951355,-14.8904323578,-4.09041786194,-5.99551486969,-41.4961891174,-41.7899093628,0.0,0.0,2.02463698387,1.90509700775,0.293720006943,0.0,1.38999998569,1.20000004768,1.14999997616,2.20000004768,2.18000006676,74.9215927124,9.78859996796,0.810000002384,5.29930019379,4.48929977417,4.30999994278,89,4.80000019073,1.44000005722,5.19999980927,0,2.26999998093,1.41499996185,953,817,613,5.71999979019,1.25);
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INSERT INTO "atomic_data" VALUES(34,'Se','[Ar] 3d^10 4s^2 4p^4',-16.0815029144,-17.4628334045,-5.92803096771,-7.21396017075,-54.5032081604,-54.7263145447,0.0,0.0,1.38133203983,1.28592896461,0.223105996847,0.0,1.39999997616,1.15999996662,1.14999997616,2.48000001907,2.54999995232,78.9599990845,9.75238037109,2.02066993713,5.88652515411,3.86585497856,3.76999998093,93,0.0,0.0,0.0,0,2.53999996185,1.28499996662,947,217,685,4.80000019073,1.15999996662);
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|
INSERT INTO "atomic_data" VALUES(35,'Br','[Ar] 3d^10 4s^2 4p^5',-19.2149219513,-19.9169483185,-7.68743801117,-8.33602237701,-68.5435562134,-68.6673126221,0.0,0.0,0.702027022839,0.648584008217,0.123756997287,0.0,1.12000000477,1.13999998569,1.14999997616,2.74000000954,2.96000003815,79.9039993286,11.8138103485,3.36359000206,7.58869981766,4.22511005402,3.04999995232,98,0.0,0.0,0.0,0,2.82999992371,1.20000004768,1146,-7,58,3.11999988556,1.13999998569);
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INSERT INTO "atomic_data" VALUES(36,'Kr','[Ar] 3d^10 4s^2 4p^6',-22.3289661407,-22.3289661407,-9.42439556122,-9.42439556122,-83.6508102417,-83.6508102417,0.0,0.0,0.0,0.0,0.0,0.0,1.02999997139,1.88999998569,0.0,2.94000005722,0.0,83.8000030518,13.9996099472,0.0,0.0,0.0,2.48440003395,4,0.0,0.0,0.0,0,0.0,0.0,1357,-157,-152,2.16000008583,0.0);
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INSERT INTO "atomic_data" VALUES(37,'Rb','[Kr] 5s^1',-1.98371100426,-2.5068230629,0.0,0.0,0.0,0.0,0.0,0.0,0.523111999035,0.0,0.0,0.0,2.48000001907,2.16000008583,2.34999990463,0.889999985695,0.819999992847,85.4677963257,4.17713022232,0.485920011997,2.33152508736,1.84560501575,47.2999992371,9,2.09999990463,0.600000023842,14.6499996185,1,0.800000011921,4.09999990463,409,39,688,1.52999997139,2.48000001907);
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INSERT INTO "atomic_data" VALUES(38,'Sr','[Kr] 5s^2',-3.58627200127,-3.58627200127,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.15000009537,1.90999996662,2.0,0.990000009537,0.949999988079,87.6200027466,5.69490003586,0.0480000004172,2.87144994736,2.8234500885,27.6000003815,15,2.40000009537,0.839999973774,10.4799995422,1,1.12999999523,3.21000003815,556,770,1380,2.59999990463,2.15000009537);
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INSERT INTO "atomic_data" VALUES(39,'Y','[Kr] 4d^1 5s^2',-3.92363905907,-4.24293804169,0.0,0.0,-2.67733001709,-3.17170596123,0.0,0.0,0.319299012423,0.0,0.494376987219,0.0,1.77999997139,1.62000000477,1.79999995232,1.11000001431,1.22000002861,88.9058532715,6.21710014343,0.307000011206,3.26204991341,2.95504999161,22.7000007629,25,3.20000004768,1.21000003815,7.34000015259,3,1.40999996662,2.94000005722,622,1500,2930,4.5,1.77999997139);
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INSERT INTO "atomic_data" VALUES(40,'Zr','[Kr] 4d^2 5s^2',-4.08859395981,-4.66182994843,0.0,0.0,-3.4683380127,-4.53088903427,0.0,0.0,0.573234975338,0.0,1.06255102158,0.0,1.60000002384,1.45000004768,1.35000002384,1.22000002861,1.33000004292,91.2239990234,6.63390016556,0.425999999046,3.52994990349,3.10395002365,17.8999996185,49,3.45000004768,1.40999996662,5.80999994278,3,1.70000004768,2.82500004768,666,1850,3580,6.48999977112,1.59000003338);
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INSERT INTO "atomic_data" VALUES(41,'Nb','[Kr] 4d^4 5s^1',-2.66176509857,-4.37703514099,0.0,0.0,-1.69880795479,-4.02105617523,0.0,0.0,1.71527099609,0.0,2.32224798203,0.0,1.46000003815,1.34000003338,1.42999994755,1.23000001907,1.60000002384,92.9063796997,6.75885009766,0.893000006676,3.82592511177,2.93292498589,15.6999998093,53,4.05000019073,1.63999998569,4.88999986649,3,2.02999997139,2.75999999046,670,2420,4900,8.55000019073,1.42999994755);
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INSERT INTO "atomic_data" VALUES(42,'Mo','[Kr] 4d^5 5s^1',-2.60554599762,-4.50549983978,0.0,0.0,-1.99671804905,-4.9208278656,0.0,0.0,1.89995396137,0.0,2.92410993576,0.0,1.38999998569,1.29999995232,1.45000004768,1.29999995232,2.16000008583,95.9400024414,7.09243011475,0.748000025749,3.92021489143,3.17221498489,12.8000001907,56,4.65000009537,1.76999998093,4.44999980927,3,1.94000005722,2.72000002861,691,2610,5560,10.1999998093,1.36000001431);
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INSERT INTO "atomic_data" VALUES(43,'Tc','[Kr] 4d^5 5s^2',-4.33649015427,-5.45591306686,0.0,0.0,-5.44298696518,-8.43869113922,0.0,0.0,1.11942303181,0.0,2.99570298195,0.0,1.36000001431,1.26999998093,1.35000002384,1.36000001431,1.89999997616,98.0,7.28000020981,0.550000011921,3.91499996185,3.36500000954,11.3999996185,59,5.30000019073,1.80999994278,4.21000003815,3,2.18000006676,2.65000009537,708,2140,4600,11.5,1.35000002384);
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INSERT INTO "atomic_data" VALUES(44,'Ru','[Kr] 4d^7 5s^1',-3.3640089035,-4.5916519165,0.0,0.0,-4.5087928772,-6.40809392929,0.0,0.0,1.22764205933,0.0,1.89930105209,0.0,1.34000003338,1.25,1.29999995232,1.41999995708,2.20000004768,101.069999695,7.36049985886,1.04999995232,4.20524978638,3.15525007248,9.60000038147,62,5.40000009537,1.83000004292,4.05999994278,3,1.97000002861,2.60500001907,717,2300,3900,12.1999998093,1.33000004292);
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INSERT INTO "atomic_data" VALUES(45,'Rh','[Kr] 4d^8 5s^1',-3.57614898682,-4.58533906937,0.0,0.0,-5.68563222885,-7.03055477142,0.0,0.0,1.00918900967,0.0,1.34492301941,0.0,1.34000003338,1.25,1.35000002384,1.42999994755,2.27999997139,102.905502319,7.45889997482,1.13699996471,4.29794979095,3.16094994545,8.60000038147,65,5.40000009537,1.75999999046,4.09999990463,3,1.99000000954,2.51999998093,726,1970,3730,12.3999996185,1.34000003338);
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INSERT INTO "atomic_data" VALUES(46,'Pd','[Kr] 4d^10',0.0,0.0,0.0,0.0,-4.37480401993,-4.37480401993,0.0,0.0,0.0,0.0,0.0,0.0,1.37000000477,1.27999997139,1.39999997616,1.35000002384,2.20000004768,106.419998169,8.33689975739,0.561999976635,4.44945001602,3.88744997978,4.80000019073,69,5.44999980927,1.66999995708,4.28999996185,3,2.07999992371,2.45000004768,811,1550,3125,12.0,1.37999999523);
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INSERT INTO "atomic_data" VALUES(47,'Ag','[Kr] 4d^10 5s^1',-3.88622307777,-4.55423593521,0.0,0.0,-8.00028800964,-8.16238594055,0.0,0.0,0.668012976646,0.0,0.162098005414,0.0,1.44000005722,1.34000003338,1.60000002384,1.41999995708,1.92999994755,107.868202209,7.5763001442,1.30200004578,4.43914985657,3.13715004921,7.19999980927,71,4.34999990463,1.36000001431,4.71999979019,3,1.07000005245,2.375,737,961,2210,10.5,1.44000005722);
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INSERT INTO "atomic_data" VALUES(48,'Cd','[Kr] 4d^10 5s^2',-5.55733013153,-5.55733013153,0.0,0.0,-12.8037796021,-12.8037796021,0.0,0.0,0.0,0.0,0.0,0.0,1.71000003815,1.40999996662,1.54999995232,1.46000003815,1.69000005722,112.411003113,8.99380016327,0.0,0.0,0.0,7.19999980927,75,4.05000019073,1.24000000954,5.53000020981,3,1.39999997616,2.21499991417,874,321,765,8.64999961853,1.49000000954);
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INSERT INTO "atomic_data" VALUES(49,'In','[Kr] 4d^10 5s^2 5p^1',-7.60653877258,-8.10170459747,-2.45993804932,-2.97785210609,-19.7949333191,-19.8675327301,0.0,0.0,0.495166003704,0.517915010452,0.0725999996066,0.0,1.65999996662,1.44000005722,1.54999995232,1.49000000954,1.77999997139,114.819999695,5.78635978699,0.300000011921,3.04317998886,2.74318003654,10.1999998093,79,3.90000009537,1.16999995708,6.28000020981,2,1.62999999523,2.04999995232,565,156,2000,7.30999994278,1.36000001431);
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|
INSERT INTO "atomic_data" VALUES(50,'Sn','[Kr] 4d^10 5s^2 5p^2',-9.38151073456,-10.4190816879,-3.26955890656,-4.30750989914,-27.1271266937,-27.2984752655,0.0,0.0,1.03757095337,1.03795194626,0.171350002289,0.0,1.62000000477,1.40999996662,1.45000004768,1.72000002861,1.96000003815,118.709999084,7.3439002037,1.11199998856,4.22795009613,3.11595010757,7.69999980927,83,4.15000009537,1.24000000954,6.42999982834,2,1.87999999523,1.87999999523,715,232,2270,7.30000019073,1.50999999046);
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|
INSERT INTO "atomic_data" VALUES(51,'Sb','[Kr] 4d^10 5s^2 5p^3',-11.0514202118,-12.6570825577,-4.01308298111,-5.58538484573,-34.9233016968,-35.2113609314,0.0,0.0,1.60566294193,1.57230198383,0.28806000948,0.0,1.59000003338,1.39999997616,1.45000004768,1.82000005245,2.04999995232,121.757003784,8.60840034485,1.04600000381,4.82719993591,3.7811999321,6.59999990463,88,4.40000009537,1.25999999046,6.59999990463,2,2.1400001049,1.76499998569,840,631,1380,6.67999982834,1.45000004768);
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|
INSERT INTO "atomic_data" VALUES(52,'Te','[Kr] 4d^10 5s^2 5p^4',-13.5409374237,-14.6196241379,-5.55460882187,-6.59849214554,-43.579246521,-43.7895622253,0.0,0.0,1.07868695259,1.04388403893,0.210317000747,0.0,1.41999995708,1.36000001431,1.39999997616,2.00999999046,2.09999990463,126.904502869,9.00959968567,1.97080004215,5.49020004272,3.51939988136,5.5,92,0.0,0.0,0.0,0,2.38000011444,1.66999995708,876,450,1390,6.23999977112,1.42999994755);
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|
INSERT INTO "atomic_data" VALUES(53,'I','[Kr] 4d^10 5s^2 5p^5',-15.9358386993,-16.4778900146,-7.0117521286,-7.53108119965,-52.6669044495,-52.7800750732,0.0,0.0,0.542051017284,0.519330024719,0.113172002137,0.0,1.32000005245,1.33000004292,1.13999998569,2.21000003815,2.66000008583,127.599998474,10.451259613,3.05903792381,6.75514888763,3.69611096382,5.34999990463,97,0.0,0.0,0.0,0,2.75999999046,1.58500003815,1015,114,183,4.94000005722,1.33000004292);
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|
INSERT INTO "atomic_data" VALUES(54,'Xe','[Kr] 4d^10 5s^2 5p^6',-18.28840065,-18.28840065,-8.43104362488,-8.43104362488,-62.2233848572,-62.2233848572,0.0,0.0,0.0,0.0,0.0,0.0,1.24000000954,1.30999994278,0.0,2.40000009537,0.0,131.289993286,12.1297998428,0.0,0.0,0.0,4.04400014877,5,0.0,0.0,0.0,0,0.0,0.0,1177,-112,-108,3.5,0.0);
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|
INSERT INTO "atomic_data" VALUES(55,'Cs','[Xe] 6s^1',-1.85930097103,-2.30085992813,0.0,0.0,0.0,0.0,0.0,0.0,0.441558986902,0.0,0.0,0.0,2.67000007629,2.34999990463,2.59999990463,0.860000014305,0.790000021458,132.905395508,3.8938999176,0.471626013517,2.18276309967,1.71113705635,59.5999984741,8,1.95000004768,0.550000011921,16.8600006104,1,0.769999980927,4.30999994278,382,29,690,1.87000000477,2.65000009537);
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|
INSERT INTO "atomic_data" VALUES(56,'Ba','[Xe] 6s^2',-3.23725891113,-3.23725891113,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.22000002861,1.98000001907,2.15000009537,0.97000002861,0.889999985695,137.32699585,5.21169996262,0.15000000596,2.68085002899,2.53084993362,39.7000007629,14,2.31999993324,0.810000002384,11.3199996948,1,1.08000004292,3.40199995041,509,714,1640,3.5,2.17000007629);
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|
INSERT INTO "atomic_data" VALUES(57,'La','[Xe] 5d^1 6s^2',-3.46216106415,-3.71408390999,0.0,0.0,-3.59655809402,-4.04013109207,0.0,0.0,0.251922994852,0.0,0.443572998047,0.0,1.37999999523,1.25,1.95000004768,1.08000004292,1.10000002384,138.905502319,5.57700014114,0.5,3.03850007057,2.53850007057,31.1000003815,33,3.17000007629,1.17999994755,7.98000001907,4,1.35000002384,3.07999992371,544,920,3470,6.17000007629,1.87000000477);
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|
INSERT INTO "atomic_data" VALUES(58,'Ce','[Xe] 4f^1 5d^1 6s^2',-3.48648810387,-3.77544593811,0.0,0.0,-3.50232505798,-4.07721996307,-8.71951198578,-9.52858924866,0.288958013058,0.0,0.5748950243,0.80907702446,1.80999994278,1.64999997616,1.85000002384,1.08000004292,1.12000000477,140.115005493,5.53870010376,0.0,0.0,0.0,29.6000003815,32,3.18000006676,1.19000005722,7.76000022888,4,1.10000002384,4.5,534,795,3470,6.78000020981,1.83000004292);
|
|
INSERT INTO "atomic_data" VALUES(59,'Pr','[Xe] 4f^3 6s^2',-3.32542395592,-3.43592905998,0.0,0.0,0.0,0.0,-3.07741904259,-4.93767213821,0.110504999757,0.0,0.0,1.86025297642,1.82000005245,1.64999997616,1.85000002384,1.07000005245,1.12999999523,140.907699585,5.46400022507,0.0,0.0,0.0,28.2000007629,31,3.19000005722,1.20000004768,7.55999994278,4,1.10000002384,4.48000001907,529,935,3130,6.76999998093,1.32000005245);
|
|
INSERT INTO "atomic_data" VALUES(60,'Nd','[Xe] 4f^4 6s^2',-3.3477640152,-3.48243308067,0.0,0.0,0.0,0.0,-3.26256489754,-5.8286819458,0.134669005871,0.0,0.0,2.56611704826,1.82000005245,1.63999998569,1.85000002384,1.07000005245,1.13999998569,144.240005493,5.52500009537,0.0,0.0,0.0,31.3999996185,30,3.19000005722,1.20000004768,7.51000022888,4,1.20000004768,3.99000000954,536,1020,3030,7.0,1.80999994278);
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|
INSERT INTO "atomic_data" VALUES(61,'Pm','[Xe] 4f^5 6s^2',-3.36942410469,-3.52591705322,0.0,0.0,0.0,0.0,-3.31339597702,-6.61204385757,0.156492993236,0.0,0.0,3.29864811897,0.0,1.62999999523,1.83000004292,1.07000005245,1.12999999523,145.0,5.57999992371,0.0,0.0,0.0,30.1000003815,29,3.19000005722,1.21000003815,7.42999982834,4,1.14999997616,3.99000000954,542,1030,2730,0.0,0.0);
|
|
INSERT INTO "atomic_data" VALUES(62,'Sm','[Xe] 4f^6 6s^2',-3.39062190056,-3.56727790833,0.0,0.0,0.0,0.0,-3.25206208229,-7.30571699142,0.176655992866,0.0,0.0,4.05365514755,1.80999994278,1.62000000477,1.85000002384,1.07000005245,1.16999995708,150.36000061,5.64359998703,0.0,0.0,0.0,28.7999992371,28,3.20000004768,1.21000003815,7.36999988556,4,1.20000004768,4.13999986649,549,1070,1900,7.53999996185,1.78999996185);
|
|
INSERT INTO "atomic_data" VALUES(63,'Eu','[Xe] 4f^7 6s^2',-3.41143894196,-3.60700702667,0.0,0.0,0.0,0.0,-3.09404492378,-7.92224502563,0.19556799531,0.0,0.0,4.82819986343,1.99000000954,1.85000002384,1.85000002384,1.00999999046,1.20000004768,151.964996338,5.67040014267,0.0,0.0,0.0,27.7000007629,18,3.20000004768,1.21000003815,7.36000013351,4,1.14999997616,3.94000005722,553,826,1440,5.26000022888,1.99000000954);
|
|
INSERT INTO "atomic_data" VALUES(64,'Gd','[Xe] 4f^7 5d^1 6s^2',-3.63538908958,-4.09602308273,0.0,0.0,-2.77934503555,-3.90807390213,-9.71781730652,-15.1763153076,0.460635006428,0.0,1.12872898579,5.4584980011,1.79999995232,1.61000001431,1.79999995232,1.11000001431,1.20000004768,157.25,6.15010023117,0.0,0.0,0.0,23.5,27,3.20000004768,1.21000003815,7.34000015259,4,1.10000002384,3.91000008583,598,1310,3000,7.88999986649,1.78999996185);
|
|
INSERT INTO "atomic_data" VALUES(65,'Tb','[Xe] 4f^9 6s^2',-3.51995801926,-3.64001488686,0.0,0.0,0.0,0.0,-4.81720685959,-8.42584705353,0.12005700171,0.0,0.0,3.60863995552,1.79999995232,1.59000003338,1.75,1.10000002384,1.20000004768,158.925292969,5.86380004883,0.0,0.0,0.0,25.5,26,3.21000003815,1.22000002861,7.19999980927,4,1.20000004768,3.8900001049,570,1360,2800,8.27000045776,1.75999999046);
|
|
INSERT INTO "atomic_data" VALUES(66,'Dy','[Xe] 4f^10 6s^2',-3.56613588333,-3.65664100647,0.0,0.0,0.0,0.0,-5.53866291046,-8.47798442841,0.0905049964786,0.0,0.0,2.93932104111,1.79999995232,1.59000003338,1.75,1.10000002384,1.22000002861,162.5,5.9388999939,0.0,0.0,0.0,24.5,24,3.21000003815,1.22000002861,7.11999988556,4,1.14999997616,3.67000007629,578,1410,2600,8.53999996185,1.75);
|
|
INSERT INTO "atomic_data" VALUES(67,'Ho','[Xe] 4f^11 6s^2',-3.60931992531,-3.67370200157,0.0,0.0,0.0,0.0,-6.18828105927,-8.42840480804,0.0643820017576,0.0,0.0,2.2401239872,1.78999996185,1.58000004292,1.75,1.10000002384,1.23000001907,164.930297852,6.02150011063,0.0,0.0,0.0,23.6000003815,23,3.22000002861,1.22000002861,7.05999994278,4,1.20000004768,3.65000009537,586,1460,2600,8.80000019073,1.74000000954);
|
|
INSERT INTO "atomic_data" VALUES(68,'Er','[Xe] 4f^12 6s^2',-3.65030002594,-3.69122600555,0.0,0.0,0.0,0.0,-6.77591085434,-8.29123210907,0.0409259982407,0.0,0.0,1.51532101631,1.77999997139,1.57000005245,1.75,1.11000001431,1.24000000954,167.259994507,6.10769987106,0.0,0.0,0.0,22.7000007629,22,3.22000002861,1.23000001907,6.98000001907,4,1.20000004768,3.63000011444,595,1500,2900,9.05000019073,1.73000001907);
|
|
INSERT INTO "atomic_data" VALUES(69,'Tm','[Xe] 4f^13 6s^2',-3.68964791298,-3.70921301842,0.0,0.0,0.0,0.0,-7.30903577805,-8.07688808441,0.0195649992675,0.0,0.0,0.767850995064,1.76999998093,1.55999994278,1.75,1.11000001431,1.25,168.934204102,6.18430995941,0.0,0.0,0.0,21.7999992371,21,3.22000002861,1.23000001907,6.90000009537,4,1.20000004768,3.59999990463,601,1550,1730,9.32999992371,0.0);
|
|
INSERT INTO "atomic_data" VALUES(70,'Yb','[Xe] 4f^14 6s^2',-3.72766208649,-3.72766208649,0.0,0.0,0.0,0.0,-7.7935628891,-7.7935628891,0.0,0.0,0.0,0.0,1.94000005722,1.70000004768,1.75999999046,1.05999994278,1.10000002384,173.039993286,6.25415992737,0.0,0.0,0.0,21.0,17,3.22000002861,1.23000001907,6.86000013351,4,1.10000002384,3.58999991417,610,824,1430,6.98000001907,1.94000005722);
|
|
INSERT INTO "atomic_data" VALUES(71,'Lu','[Xe] 4f^14 5d^1 6s^2',-4.03341007233,-4.36987876892,0.0,0.0,-2.55044293404,-3.02909088135,-15.3839378357,-15.4542789459,0.336468994617,0.0,0.478648990393,0.0703409984708,1.75,1.55999994278,1.75,1.13999998569,1.26999998093,174.966995239,5.42589998245,0.0,0.0,0.0,21.8999996185,20,3.22000002861,1.24000000954,6.80999994278,4,1.20000004768,3.36999988556,530,1650,3330,9.84000015259,1.72000002861);
|
|
INSERT INTO "atomic_data" VALUES(72,'Hf','[Xe] 4f^14 5d^2 6s^2',-4.17926311493,-4.78686618805,0.0,0.0,-3.31554603577,-4.32511615753,-23.5275211334,-23.6885585785,0.607603013515,0.0,1.00957000256,0.161036998034,1.66999995708,1.44000005722,1.54999995232,1.23000001907,1.29999995232,178.490005493,6.82506990433,0.0,3.41253495216,3.41253495216,16.2000007629,50,3.59999990463,1.45000004768,5.65000009537,3,1.73000001907,2.91000008583,680,2000,5400,13.1000003815,1.55999994278);
|
|
INSERT INTO "atomic_data" VALUES(73,'Ta','[Xe] 4f^14 5d^3 6s^2',-4.26908779144,-5.10151195526,0.0,0.0,-4.01330089569,-5.57896280289,-32.3138923645,-32.5788192749,0.832423985004,0.0,1.56566202641,0.264930009842,1.49000000954,1.34000003338,1.45000004768,1.33000004292,1.5,180.947906494,7.54960012436,0.321999996901,3.93580007553,3.61380004883,13.1000003815,52,4.05000019073,1.62999999523,4.88999986649,3,1.94000005722,2.78999996185,767,3000,5430,16.6000003815,1.42999994755);
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|
INSERT INTO "atomic_data" VALUES(74,'W','[Xe] 4f^14 5d^4 6s^2',-4.33205509186,-5.35569286346,0.0,0.0,-4.67736816406,-6.81583023071,-41.7318115234,-42.1114082336,1.02363801003,0.0,2.13846206665,0.379599004984,1.40999996662,1.29999995232,1.35000002384,1.39999997616,2.3599998951,183.850006104,7.8639998436,0.814999997616,4.33949995041,3.52449989319,11.1000003815,55,4.80000019073,1.80999994278,4.5,3,1.78999996185,2.7349998951,776,3410,5930,19.2999992371,1.37000000477);
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|
INSERT INTO "atomic_data" VALUES(75,'Re','[Xe] 4f^14 5d^5 6s^2',-4.38000106812,-5.56968402863,0.0,0.0,-5.32244110107,-8.04720020294,-51.7570610046,-52.2610168457,1.18968200684,0.0,2.72475910187,0.503955006599,1.37000000477,1.27999997139,1.35000002384,1.46000003815,1.89999997616,186.207000732,7.83349990845,0.15000000596,3.99175000191,3.84174990654,9.69999980927,58,5.19999980927,1.85000002384,4.28000020981,3,2.05999994278,2.68000006676,766,3180,5630,21.0,1.37000000477);
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|
INSERT INTO "atomic_data" VALUES(76,'Os','[Xe] 4f^14 5d^6 6s^2',-4.72256612778,-5.59518098831,0.0,0.0,-6.78372001648,-8.97532653809,-62.7424125671,-63.1699867249,0.872614979744,0.0,2.19160604477,0.427572995424,1.35000002384,1.25999999046,1.29999995232,1.51999998093,2.20000004768,190.199996948,8.43819999695,1.10000002384,4.76910018921,3.66910004616,8.5,63,5.40000009537,1.85000002384,4.15000009537,3,1.85000002384,2.65000009537,850,3000,5500,22.3999996185,1.34000003338);
|
|
INSERT INTO "atomic_data" VALUES(77,'Ir','[Xe] 4f^14 5d^7 6s^2',-4.99451589584,-5.6008682251,0.0,0.0,-8.1960735321,-9.84783267975,-74.2423553467,-74.5795898438,0.606351971626,0.0,1.65175902843,0.337231010199,1.36000001431,1.26999998093,1.35000002384,1.54999995232,2.20000004768,192.220001221,8.96700000763,1.5637999773,5.26539993286,3.70160007477,7.59999990463,66,5.55000019073,1.83000004292,4.17000007629,3,1.87000000477,2.62800002098,880,2450,4500,22.5,1.36000001431);
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|
INSERT INTO "atomic_data" VALUES(78,'Pt','[Xe] 4f^14 5d^9 6s^1',-3.91449594498,-4.7045249939,0.0,0.0,-7.01651382446,-7.72537088394,-82.539932251,-82.6585998535,0.790028989315,0.0,0.708856999874,0.118669003248,1.38999998569,1.29999995232,1.35000002384,1.44000005722,2.27999997139,195.080001831,8.95870018005,2.12800002098,5.54335021973,3.41534996033,6.5,68,5.65000009537,1.77999997139,4.36000013351,3,1.90999996662,2.70000004768,870,1770,3825,21.3999996185,1.38999998569);
|
|
INSERT INTO "atomic_data" VALUES(79,'Au','[Xe] 4f^14 5d^10 6s^1',-4.05803585052,-4.67195177078,0.0,0.0,-8.16703891754,-8.34225273132,-94.8371200562,-94.8449249268,0.613915979862,0.0,0.175213992596,0.00780999986455,1.46000003815,1.34000003338,1.35000002384,1.41999995708,2.53999996185,196.966506958,9.22550010681,2.30862998962,5.76706504822,3.45843505859,5.80000019073,70,5.15000009537,1.57000005245,4.69999980927,3,1.19000005722,2.66000008583,896,1063,2970,19.2999992371,1.44000005722);
|
|
INSERT INTO "atomic_data" VALUES(80,'Hg','[Xe] 4f^14 5d^10 6s^2',-5.58206510544,-5.58206510544,0.0,0.0,-12.314573288,-12.314573288,-111.84677124,-111.84677124,0.0,0.0,0.0,0.0,1.60000002384,1.49000000954,1.5,1.44000005722,2.0,200.589996338,10.4375,0.0,0.0,0.0,5.69999980927,74,4.19999980927,1.24000000954,5.82999992371,3,1.49000000954,2.41000008583,1013,-39,357,13.529999733,1.5);
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|
INSERT INTO "atomic_data" VALUES(81,'Tl','[Xe] 4f^14 5d^10 6s^2 6p^1',-7.48411512375,-7.93865394592,-2.47234606743,-2.96057295799,-18.2774353027,-18.3540897369,-131.542770386,-131.550552368,0.454539000988,0.488227009773,0.0766550004482,0.007782000117,1.71000003815,1.48000001907,1.89999997616,1.44000005722,2.03999996185,204.383300781,6.10820007324,0.20000000298,3.15409994125,2.95409989357,7.59999990463,78,3.90000009537,1.12000000477,6.67000007629,2,1.69000005722,2.2349998951,596,303,1460,11.8500003815,1.70000004768);
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|
INSERT INTO "atomic_data" VALUES(82,'Pb','[Xe] 4f^14 5d^10 6s^2 6p^2',-9.11970996857,-10.0580949783,-3.25124502182,-4.21439313889,-24.3539848328,-24.5292263031,-152.050445557,-152.074005127,0.938385009766,0.963147997856,0.1752409935,0.0235649999231,1.75,1.47000002861,1.79999995232,1.54999995232,2.32999992371,207.199996948,7.416659832,0.363999992609,3.89033007622,3.5263299942,6.80000019073,82,4.09999990463,1.14999997616,6.94000005722,2,1.91999995708,2.08999991417,722,327,1740,11.3999996185,1.75);
|
|
INSERT INTO "atomic_data" VALUES(83,'Bi','[Xe] 4f^14 5d^10 6s^2 6p^3',-10.642950058,-12.0797119141,-3.96042895317,-5.40200710297,-30.6616420746,-30.9494838715,-173.45123291,-173.497817993,1.43676197529,1.44157803059,0.287842005491,0.0465859994292,1.70000004768,1.46000003815,1.60000002384,1.66999995708,2.01999998093,208.980392456,7.28560018539,0.945999979973,4.11579990387,3.16980004311,7.40000009537,87,4.15000009537,1.15999996662,7.19999980927,2,2.1400001049,1.99699997902,710,271,1560,9.80000019073,1.54999995232);
|
|
INSERT INTO "atomic_data" VALUES(84,'Po','[Xe] 4f^14 5d^10 6s^2 6p^4',-12.8676176071,-13.8249969482,-5.3762922287,-6.3245549202,-37.5555152893,-37.7610702515,-196.00668335,-196.045181274,0.957378983498,0.948262989521,0.205555006862,0.0385040007532,1.66999995708,1.52999997139,1.89999997616,1.75999999046,2.0,209.0,8.4167098999,1.89999997616,5.15835523605,3.25835490227,6.80000019073,91,0.0,0.0,0.0,2,2.40000009537,1.89999997616,818,254,962,9.39999961853,1.66999995708);
|
|
INSERT INTO "atomic_data" VALUES(85,'At','[Xe] 4f^14 5d^10 6s^2 6p^5',-14.9871959686,-15.4649734497,-6.70107889175,-7.16884279251,-44.6603012085,-44.7689285278,-219.392044067,-219.414794922,0.477777987719,0.467763990164,0.108627997339,0.0227489992976,1.45000004768,1.47000002861,0.0,1.89999997616,2.20000004768,210.0,0.0,2.79999995232,0.0,0.0,6.0,96,0.0,0.0,0.0,0,2.6400001049,1.83000004292,0,302,335,0.0,0.0);
|
|
INSERT INTO "atomic_data" VALUES(86,'Rn','[Xe] 4f^14 5d^10 6s^2 6p^6',-17.0498466492,-17.0498466492,-7.9778380394,-7.9778380394,-52.0099372864,-52.0099372864,-243.632324219,-243.632324219,0.0,0.0,0.0,0.0,1.34000003338,0.0,0.0,2.05999994278,0.0,213.035903931,10.7484998703,0.0,0.0,0.0,5.30000019073,6,0.0,0.0,0.0,0,0.0,0.0,1043,-71,-62,4.40000009537,0.0);
|
|
INSERT INTO "atomic_data" VALUES(87,'Fr','[Rn] 7s^1',-1.81412994862,-2.22246408463,0.0,0.0,0.0,0.0,0.0,0.0,0.408333986998,0.0,0.0,0.0,2.70000004768,0.0,0.0,0.860000014305,0.699999988079,222.0,4.07270002365,0.460000008345,2.2663500309,1.80634999275,48.7000007629,7,0.0,0.0,0.0,1,0.699999988079,4.36999988556,0,27,680,0.0,0.0);
|
|
INSERT INTO "atomic_data" VALUES(88,'Ra','[Rn] 7s^2',-3.09480690956,-3.09480690956,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.32999992371,0.0,2.15000009537,0.97000002861,0.899999976158,223.0,5.27839994431,0.0,0.0,0.0,38.2999992371,13,0.0,0.0,0.0,1,0.899999976158,3.52999997139,516,700,1530,5.0,0.0);
|
|
INSERT INTO "atomic_data" VALUES(89,'Ac','[Rn] 6d^1 7s^2',-3.31301498413,-3.55508804321,0.0,0.0,-3.52910089493,-3.93370699883,0.0,0.0,0.242072999477,0.0,0.40460601449,0.0,1.87999999523,0.0,1.92999994755,1.0,1.10000002384,226.025405884,5.17000007629,0.0,0.0,0.0,32.0999984741,48,0.0,0.0,0.0,5,1.10000002384,3.11999988556,670,1050,3200,0.0,0.0);
|
|
INSERT INTO "atomic_data" VALUES(90,'Th','[Rn] 6d^2 7s^2',-3.44999694824,-3.8928360939,0.0,0.0,-4.23401212692,-5.06126594543,0.0,0.0,0.442838013172,0.0,0.827253997326,0.0,1.79999995232,1.64999997616,1.79999995232,1.11000001431,1.29999995232,227.0,6.30670022964,0.0,0.0,0.0,32.0999984741,47,3.29999995232,1.27999997139,7.32000017166,5,1.29999995232,4.98000001907,0,1700,4200,11.6999998093,1.79999995232);
|
|
INSERT INTO "atomic_data" VALUES(91,'Pa','[Rn] 5f^2 6d^1 7s^2',-3.3474919796,-3.67013788223,0.0,0.0,-3.47367095947,-4.18247413635,-7.91644906998,-9.13347911835,0.322645992041,0.0,0.708802998066,1.21703004837,1.61000001431,0.0,1.79999995232,1.13999998569,1.5,232.038101196,5.88999986649,0.0,0.0,0.0,25.3999996185,46,0.0,0.0,0.0,5,1.5,4.96000003815,0,1230,0,15.3999996185,1.61000001431);
|
|
INSERT INTO "atomic_data" VALUES(92,'U','[Rn] 5f^3 6d^1 7s^2',-3.36341094971,-3.71634292603,0.0,0.0,-3.41660904884,-4.24772691727,-8.92389678955,-10.7035226822,0.352932006121,0.0,0.831117987633,1.77962601185,1.37999999523,1.41999995708,1.75,1.22000002861,1.37999999523,238.028900146,6.19404983521,0.0,0.0,0.0,24.8999996185,45,3.90000009537,1.50999999046,5.57000017166,5,1.70000004768,4.71999979019,0,1130,3820,18.8999996185,1.38999998569);
|
|
INSERT INTO "atomic_data" VALUES(1,'H','1s^1',-2.72590208054,-7.31918621063,0.0,0.0,0.0,0.0,0.0,0.0,4.5932841301,0.0,0.0,0.0,2.07999992371,0.319999992847,0.52999997139,2.20000004768,2.20000004768,1.00794005394,13.5984401703,0.754194974899,7.1763176918,6.42212247849,0.666792988777,1,5.19999980927,1.5,1.41999995708,0,2.09999990463,1.25,1318,-259,-253,0.070000000298,0.370000004768);
|
|
INSERT INTO "atomic_data" VALUES(2,'He','1s^2',-15.5220632553,-15.5220632553,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.930000007153,0.0,0.0,0.0,4.00260210037,24.5874099731,0.0,0.0,0.0,0.204955995083,103,0.0,0.0,0.0,0,0.0,0.0,2379,-270,-269,0.15000000596,0.0);
|
|
INSERT INTO "atomic_data" VALUES(3,'Li','[He] 2s^1',-2.09133195877,-3.16482210159,0.0,0.0,0.0,0.0,0.0,0.0,1.07349002361,0.0,0.0,0.0,1.54999995232,1.23000001907,1.45000004768,0.97000002861,0.980000019073,6.94099998474,5.39171981812,0.617999970913,3.00485992432,2.3868598938,24.2999992371,12,2.84999990463,0.980000019073,5.53000020981,1,0.899999976158,1.61000001431,526,180,1330,0.52999997139,1.51999998093);
|
|
INSERT INTO "atomic_data" VALUES(4,'Be','[He] 2s^2',-5.59858179092,-5.59858179092,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.12000000477,0.899999976158,1.04999995232,1.47000002861,1.57000005245,9.01218223572,9.32269954681,0.0,0.0,0.0,5.59999990463,77,5.05000019073,1.66999995708,2.88000011444,1,1.45000004768,1.08000004292,906,1280,2480,1.85000002384,1.12000000477);
|
|
INSERT INTO "atomic_data" VALUES(5,'B','[He] 2s^2 2p^1',-8.67020511627,-9.8081035614,-3.07989501953,-4.10492086411,0.0,0.0,0.0,0.0,1.13789904118,1.02502596378,0.0,0.0,0.980000019073,0.819999992847,0.850000023842,2.00999999046,2.03999996185,10.8109998703,8.2980298996,0.277000010014,4.28751516342,4.01051521301,3.02999997139,85,5.30000019073,1.75,2.79999995232,0,1.89999997616,0.795000016689,807,2030,3900,2.33999991417,0.790000021458);
|
|
INSERT INTO "atomic_data" VALUES(6,'C','[He] 2s^2 2p^2',-11.8387546539,-14.4567642212,-3.79013991356,-6.19214487076,0.0,0.0,0.0,0.0,2.61800909042,2.4020049572,0.0,0.0,0.910000026226,0.769999980927,0.699999988079,2.5,2.54999995232,12.0109996796,11.2602996826,1.26289999485,6.26160001755,4.99870014191,1.75999999046,95,6.23999977112,1.76999998093,2.20000004768,0,2.36999988556,0.639999985695,1093,3730,4830,2.25999999046,0.709999978542);
|
|
INSERT INTO "atomic_data" VALUES(7,'N','[He] 2s^2 2p^3',-15.2752275467,-19.6128883362,-4.37300777435,-8.40418624878,0.0,0.0,0.0,0.0,4.33765983582,4.03117799759,0.0,0.0,0.920000016689,0.75,0.649999976158,3.06999993324,3.03999996185,14.0067396164,14.5341396332,0.0,0.0,0.0,1.10000002384,100,6.86000013351,7.65000009537,2.55999994278,0,2.84999990463,0.540000021458,1407,-210,-196,0.810000002384,0.730000019073);
|
|
INSERT INTO "atomic_data" VALUES(8,'O','[He] 2s^2 2p^4',-21.8136920929,-24.9135055542,-7.41099786758,-10.3711633682,0.0,0.0,0.0,0.0,3.09981393814,2.9601650238,0.0,0.0,0.649999976158,0.730000019073,0.600000023842,3.5,3.44000005722,15.9994001389,13.618060112,1.46111035347,7.53958511353,6.07847499847,0.801999986172,101,0.0,0.0,0.0,0,3.31999993324,0.465000003576,1320,-219,-183,1.14999997616,0.740000009537);
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|
INSERT INTO "atomic_data" VALUES(9,'F','[He] 2s^2 2p^5',-28.684135437,-30.3153495789,-10.4478435516,-12.0315752029,0.0,0.0,0.0,0.0,1.63121497631,1.58373105526,0.0,0.0,0.569999992847,0.72000002861,0.5,4.09999990463,3.98000001907,18.9983997345,17.4228191376,3.4011900425,10.4120054245,7.01081514359,0.556999981403,102,0.0,0.0,0.0,0,3.77999997139,0.405000001192,1687,-220,-188,1.50999999046,0.709999978542);
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|
INSERT INTO "atomic_data" VALUES(10,'Ne','[He] 2s^2 2p^6',-35.9954833984,-35.9954833984,-13.5522022247,-13.5522022247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.509999990463,0.709999978542,0.0,0.0,0.0,20.1797008514,21.5645999908,0.0,0.0,0.0,0.395599991083,2,0.0,0.0,0.0,0,0.0,0.0,2087,-249,-246,1.20000004768,0.0);
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|
INSERT INTO "atomic_data" VALUES(11,'Na','[Ne] 3s^1',-2.21879005432,-3.0804669857,0.0,0.0,0.0,0.0,0.0,0.0,0.861675977707,0.0,0.0,0.0,1.89999997616,1.53999996185,1.79999995232,1.00999999046,0.930000007153,22.9897708893,5.13908004761,0.547926008701,2.84350299835,2.29557704926,24.0799999237,11,2.70000004768,0.819999992847,8.27000045776,1,0.889999985695,2.65000009537,502,98,892,0.97000002861,1.86000001431);
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|
INSERT INTO "atomic_data" VALUES(12,'Mg','[Ne] 3s^2',-4.77361392975,-4.77361392975,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.60000002384,1.36000001431,1.5,1.23000001907,1.30999994278,24.3050003052,7.64624023438,0.0,0.0,0.0,10.6000003815,73,3.45000004768,1.16999995708,5.80999994278,1,1.30999994278,2.02999997139,744,650,1110,1.74000000954,1.60000002384);
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|
INSERT INTO "atomic_data" VALUES(13,'Al','[Ne] 3s^2 3p^1',-7.39970493317,-8.06213855743,-2.41754198074,-3.02718710899,0.0,0.0,0.0,0.0,0.662433981895,0.609643995762,0.0,0.0,1.42999994755,1.17999994755,2.15000009537,1.47000002861,1.61000001431,26.9815406799,5.98577022552,0.441000014544,3.21338510513,2.77238488197,6.80000019073,80,4.19999980927,1.38999998569,4.63999986649,2,1.63999998569,1.67499995232,584,660,2450,2.70000004768,1.42999994755);
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INSERT INTO "atomic_data" VALUES(14,'Si','[Ne] 3s^2 3p^2',-9.83958816528,-11.3410043716,-3.29029393196,-4.63184309006,0.0,0.0,0.0,0.0,1.50141596794,1.34154903889,0.0,0.0,1.32000005245,1.11000001431,1.15999996662,1.74000000954,1.89999997616,28.0855007172,8.15168952942,1.38499999046,4.76834487915,3.38334488869,5.38000011444,85,4.69999980927,1.5,4.19999980927,0,1.98000001907,1.41999995708,793,1410,2680,2.32999992371,1.17999994755);
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|
INSERT INTO "atomic_data" VALUES(15,'P','[Ne] 3s^2 3p^3',-12.2498102188,-14.7022380829,-4.12233686447,-6.2961192131,0.0,0.0,0.0,0.0,2.4524269104,2.17378306389,0.0,0.0,1.27999997139,1.05999994278,1.0,2.05999994278,2.19000005722,30.9737606049,10.4866895676,0.746500015259,5.61659479141,4.87009477615,3.63000011444,90,5.55000019073,1.64999997616,4.15000009537,0,2.31999993324,1.24000000954,1018,44,280,1.82000005245,1.10000002384);
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|
INSERT INTO "atomic_data" VALUES(16,'S','[Ne] 3s^2 3p^4',-16.1379108429,-17.8551940918,-6.21195411682,-7.73644590378,0.0,0.0,0.0,0.0,1.71728396416,1.52449095249,0.0,0.0,1.26999998093,1.01999998093,1.0,2.44000005722,2.57999992371,32.0660018921,10.3600101471,2.07710409164,6.21855688095,4.14145278931,2.90000009537,94,0.0,0.0,0.0,0,2.65000009537,1.10000002384,1006,113,445,2.06999993324,1.01999998093);
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INSERT INTO "atomic_data" VALUES(17,'Cl','[Ne] 3s^2 3p^5',-20.0472106934,-20.9383296967,-8.28943634033,-9.08311080933,0.0,0.0,0.0,0.0,0.891119003296,0.793675005436,0.0,0.0,0.97000002861,0.990000009537,1.0,2.82999992371,3.16000008583,35.4527015686,12.9676399231,3.61268997192,8.29016494751,4.67747497559,2.18000006676,99,0.0,0.0,0.0,0,2.98000001907,1.00999999046,1257,-101,-35,1.55999994278,0.990000009537);
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INSERT INTO "atomic_data" VALUES(18,'Ar','[Ne] 3s^2 3p^6',-24.0381145477,-24.0381145477,-10.4037351608,-10.4037351608,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.879999995232,0.980000019073,0.0,3.20000004768,0.0,39.0983009338,15.7596197128,0.0,0.0,0.0,1.64110004902,3,0.0,0.0,0.0,0,0.0,0.0,1527,-189,-186,1.39999997616,0.0);
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INSERT INTO "atomic_data" VALUES(19,'K','[Ar] 4s^1',-2.02398395538,-2.61776399612,0.0,0.0,0.0,0.0,0.0,0.0,0.593779981136,0.0,0.0,0.0,2.34999990463,2.02999997139,2.20000004768,0.910000026226,0.819999992847,39.9480018616,4.34066009521,0.501470029354,2.42106509209,1.91959500313,43.4000015259,10,2.25,0.649999976158,12.7700004578,1,0.800000011921,3.69000005722,425,64,760,0.860000014305,2.26999998093);
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INSERT INTO "atomic_data" VALUES(20,'Ca','[Ar] 4s^2',-3.84799098969,-3.84799098969,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.97000002861,1.74000000954,1.79999995232,1.03999996185,1.0,40.077999115,6.11316013336,0.0245500002056,3.06885504723,3.04430508614,22.7999992371,16,2.54999995232,0.910000026226,8.81999969482,1,1.16999995708,3.0,596,838,1490,1.54999995232,1.97000002861);
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INSERT INTO "atomic_data" VALUES(21,'Sc','[Ar] 3d^1 4s^2',-4.1057100296,-4.38000106812,0.0,0.0,-3.19108104706,-3.84053492546,0.0,0.0,0.274291008711,0.0,0.649453997612,0.0,1.62000000477,1.44000005722,1.60000002384,1.20000004768,1.36000001431,44.955909729,6.56150007248,0.187999993563,3.37474989891,3.18674993515,17.7999992371,19,3.25,1.26999998093,6.09000015259,3,1.5,2.75,637,1540,2730,3.0,1.61000001431);
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INSERT INTO "atomic_data" VALUES(22,'Ti','[Ar] 3d^2 4s^2',-4.26193094254,-4.75584506989,0.0,0.0,-3.74589395523,-5.17106389999,0.0,0.0,0.493914008141,0.0,1.42516994476,0.0,1.45000004768,1.32000005245,1.39999997616,1.32000005245,1.53999996185,47.8800010681,6.82810020447,0.0790000036359,3.45355010033,3.37455010414,14.6000003815,51,3.79999995232,1.51999998093,4.82000017166,3,1.86000001431,2.57999992371,664,1670,3260,4.5,1.45000004768);
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INSERT INTO "atomic_data" VALUES(23,'V','[Ar] 3d^3 4s^2',-4.3844370842,-5.06894016266,0.0,0.0,-4.09229516983,-6.38003921509,0.0,0.0,0.684503018856,0.0,2.28774404526,0.0,1.34000003338,1.22000002861,1.35000002384,1.45000004768,1.62999999523,50.9415016174,6.74630022049,0.524999976158,3.63564991951,3.11065006256,12.3999996185,54,4.25,1.63999998569,4.11999988556,3,2.22000002861,2.43000006676,656,1900,3450,5.80000019073,1.30999994278);
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INSERT INTO "atomic_data" VALUES(24,'Cr','[Ar] 3d^5 4s^1',-2.56189894676,-4.53230381012,0.0,0.0,-0.307924002409,-3.98274207115,0.0,0.0,1.97040498257,0.0,3.67481803894,0.0,1.29999995232,1.17999994755,1.39999997616,1.55999994278,1.65999996662,51.9961013794,6.76649999619,0.666000008583,3.71624994278,3.05025005341,11.6000003815,57,4.65000009537,1.73000001907,3.74000000954,3,2.0,2.44000005722,659,1900,2642,7.78999996185,1.25);
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INSERT INTO "atomic_data" VALUES(25,'Mn','[Ar] 3d^5 4s^2',-4.5876789093,-5.60451412201,0.0,0.0,-4.3716468811,-8.58021736145,0.0,0.0,1.01683604717,0.0,4.20857000351,0.0,1.35000002384,1.16999995708,1.39999997616,1.60000002384,1.54999995232,54.9380493164,7.43402004242,0.0,0.0,0.0,9.39999961853,60,4.44999980927,1.66999995708,3.77999997139,3,2.03999996185,2.22000002861,724,1250,2110,7.42999982834,1.37000000477);
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INSERT INTO "atomic_data" VALUES(26,'Fe','[Ar] 3d^6 4s^2',-4.96915483475,-5.71406698227,0.0,0.0,-5.82084512711,-9.35538768768,0.0,0.0,0.744912028313,0.0,3.53454303741,0.0,1.25999999046,1.16999995708,1.39999997616,1.63999998569,1.83000004292,55.8470001221,7.90240001678,0.150999993086,4.02670001984,3.87569999695,8.39999961853,61,4.92999982834,1.76999998093,3.69000005722,3,1.66999995708,2.1099998951,766,1540,3000,7.86000013351,1.24000000954);
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INSERT INTO "atomic_data" VALUES(27,'Co','[Ar] 3d^7 4s^2',-5.28586912155,-5.80631399155,0.0,0.0,-7.16838121414,-9.92454242706,0.0,0.0,0.520444989204,0.0,2.7561609745,0.0,1.25,1.15999996662,1.35000002384,1.70000004768,1.87999999523,58.6934013367,7.88100004196,0.662000000477,4.27150011063,3.60949993134,7.5,64,5.09999990463,1.75,3.54999995232,3,1.72000002861,2.01999998093,764,1490,2900,8.89999961853,1.25);
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|
INSERT INTO "atomic_data" VALUES(28,'Ni','[Ar] 3d^8 4s^2',-5.56535720825,-5.89268302917,0.0,0.0,-8.44614601135,-10.3455018997,0.0,0.0,0.327325999737,0.0,1.89935600758,0.0,1.24000000954,1.14999997616,1.35000002384,1.75,1.90999996662,58.9332008362,7.63980007172,1.15600001812,4.39790010452,3.24189996719,6.80000019073,67,5.19999980927,1.70000004768,3.51999998093,3,1.75999999046,2.18000006676,743,1450,2730,8.89999961853,1.25);
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|
INSERT INTO "atomic_data" VALUES(29,'Cu','[Ar] 3d^10 4s^1',-4.18797111511,-5.00725078583,0.0,0.0,-5.36361217499,-5.50960111618,0.0,0.0,0.819280982018,0.0,0.145989000797,0.0,1.27999997139,1.16999995708,1.35000002384,1.75,1.89999997616,63.5460014343,7.72637987137,1.23500001431,4.48069000244,3.24569010735,6.09999990463,72,4.44999980927,1.47000002861,3.70000004768,3,1.08000004292,2.03999996185,752,1083,2600,8.96000003815,1.27999997139);
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|
INSERT INTO "atomic_data" VALUES(30,'Zn','[Ar] 3d^10 4s^2',-6.06065893173,-6.06065893173,0.0,0.0,-10.8558254242,-10.8558254242,0.0,0.0,0.0,0.0,0.0,0.0,1.37999999523,1.25,1.35000002384,1.65999996662,1.64999997616,65.3899993896,9.39420032501,0.0,0.0,0.0,7.09999990463,76,4.09999990463,1.32000005245,4.38000011444,3,1.39999997616,1.87999999523,913,419,906,7.13999986649,1.33000004292);
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|
INSERT INTO "atomic_data" VALUES(31,'Ga','[Ar] 3d^10 4s^2 4p^1',-8.56250190735,-9.1530714035,-2.4025220871,-2.99869608879,-19.9347457886,-20.0011959076,0.0,0.0,0.590569019318,0.596175014973,0.0664499998093,0.0,1.40999996662,1.25999999046,1.29999995232,1.82000005245,1.80999994278,69.7229995728,5.99930000305,0.300000011921,3.14965009689,2.84964990616,8.11999988556,81,4.09999990463,1.30999994278,5.19000005722,2,1.70000004768,1.69500005245,585,30,2400,5.90999984741,1.22000002861);
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|
INSERT INTO "atomic_data" VALUES(32,'Ge','[Ar] 3d^10 4s^2 4p^2',-10.7624616623,-12.0428676605,-3.27875590324,-4.50936412811,-30.1303119659,-30.2976341248,0.0,0.0,1.28040504456,1.23060798645,0.167322993279,0.0,1.37000000477,1.22000002861,1.25,2.01999998093,2.00999999046,72.6100006104,7.89940023422,1.23300004005,4.56619977951,3.33319997787,6.07000017166,84,4.55000019073,1.37000000477,4.59999990463,2,1.99000000954,1.55999994278,768,937,2830,5.32000017166,1.23000001907);
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|
INSERT INTO "atomic_data" VALUES(33,'As','[Ar] 3d^10 4s^2 4p^3',-12.8657951355,-14.8904323578,-4.09041786194,-5.99551486969,-41.4961891174,-41.7899093628,0.0,0.0,2.02463698387,1.90509700775,0.293720006943,0.0,1.38999998569,1.20000004768,1.14999997616,2.20000004768,2.18000006676,74.9215927124,9.78859996796,0.810000002384,5.29930019379,4.48929977417,4.30999994278,89,4.80000019073,1.44000005722,5.19999980927,0,2.26999998093,1.41499996185,953,817,613,5.71999979019,1.25);
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|
INSERT INTO "atomic_data" VALUES(34,'Se','[Ar] 3d^10 4s^2 4p^4',-16.0815029144,-17.4628334045,-5.92803096771,-7.21396017075,-54.5032081604,-54.7263145447,0.0,0.0,1.38133203983,1.28592896461,0.223105996847,0.0,1.39999997616,1.15999996662,1.14999997616,2.48000001907,2.54999995232,78.9599990845,9.75238037109,2.02066993713,5.88652515411,3.86585497856,3.76999998093,93,0.0,0.0,0.0,0,2.53999996185,1.28499996662,947,217,685,4.80000019073,1.15999996662);
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INSERT INTO "atomic_data" VALUES(35,'Br','[Ar] 3d^10 4s^2 4p^5',-19.2149219513,-19.9169483185,-7.68743801117,-8.33602237701,-68.5435562134,-68.6673126221,0.0,0.0,0.702027022839,0.648584008217,0.123756997287,0.0,1.12000000477,1.13999998569,1.14999997616,2.74000000954,2.96000003815,79.9039993286,11.8138103485,3.36359000206,7.58869981766,4.22511005402,3.04999995232,98,0.0,0.0,0.0,0,2.82999992371,1.20000004768,1146,-7,58,3.11999988556,1.13999998569);
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|
INSERT INTO "atomic_data" VALUES(36,'Kr','[Ar] 3d^10 4s^2 4p^6',-22.3289661407,-22.3289661407,-9.42439556122,-9.42439556122,-83.6508102417,-83.6508102417,0.0,0.0,0.0,0.0,0.0,0.0,1.02999997139,1.88999998569,0.0,2.94000005722,0.0,83.8000030518,13.9996099472,0.0,0.0,0.0,2.48440003395,4,0.0,0.0,0.0,0,0.0,0.0,1357,-157,-152,2.16000008583,0.0);
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|
INSERT INTO "atomic_data" VALUES(37,'Rb','[Kr] 5s^1',-1.98371100426,-2.5068230629,0.0,0.0,0.0,0.0,0.0,0.0,0.523111999035,0.0,0.0,0.0,2.48000001907,2.16000008583,2.34999990463,0.889999985695,0.819999992847,85.4677963257,4.17713022232,0.485920011997,2.33152508736,1.84560501575,47.2999992371,9,2.09999990463,0.600000023842,14.6499996185,1,0.800000011921,4.09999990463,409,39,688,1.52999997139,2.48000001907);
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|
INSERT INTO "atomic_data" VALUES(38,'Sr','[Kr] 5s^2',-3.58627200127,-3.58627200127,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.15000009537,1.90999996662,2.0,0.990000009537,0.949999988079,87.6200027466,5.69490003586,0.0480000004172,2.87144994736,2.8234500885,27.6000003815,15,2.40000009537,0.839999973774,10.4799995422,1,1.12999999523,3.21000003815,556,770,1380,2.59999990463,2.15000009537);
|
|
INSERT INTO "atomic_data" VALUES(39,'Y','[Kr] 4d^1 5s^2',-3.92363905907,-4.24293804169,0.0,0.0,-2.67733001709,-3.17170596123,0.0,0.0,0.319299012423,0.0,0.494376987219,0.0,1.77999997139,1.62000000477,1.79999995232,1.11000001431,1.22000002861,88.9058532715,6.21710014343,0.307000011206,3.26204991341,2.95504999161,22.7000007629,25,3.20000004768,1.21000003815,7.34000015259,3,1.40999996662,2.94000005722,622,1500,2930,4.5,1.77999997139);
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|
INSERT INTO "atomic_data" VALUES(40,'Zr','[Kr] 4d^2 5s^2',-4.08859395981,-4.66182994843,0.0,0.0,-3.4683380127,-4.53088903427,0.0,0.0,0.573234975338,0.0,1.06255102158,0.0,1.60000002384,1.45000004768,1.35000002384,1.22000002861,1.33000004292,91.2239990234,6.63390016556,0.425999999046,3.52994990349,3.10395002365,17.8999996185,49,3.45000004768,1.40999996662,5.80999994278,3,1.70000004768,2.82500004768,666,1850,3580,6.48999977112,1.59000003338);
|
|
INSERT INTO "atomic_data" VALUES(41,'Nb','[Kr] 4d^4 5s^1',-2.66176509857,-4.37703514099,0.0,0.0,-1.69880795479,-4.02105617523,0.0,0.0,1.71527099609,0.0,2.32224798203,0.0,1.46000003815,1.34000003338,1.42999994755,1.23000001907,1.60000002384,92.9063796997,6.75885009766,0.893000006676,3.82592511177,2.93292498589,15.6999998093,53,4.05000019073,1.63999998569,4.88999986649,3,2.02999997139,2.75999999046,670,2420,4900,8.55000019073,1.42999994755);
|
|
INSERT INTO "atomic_data" VALUES(42,'Mo','[Kr] 4d^5 5s^1',-2.60554599762,-4.50549983978,0.0,0.0,-1.99671804905,-4.9208278656,0.0,0.0,1.89995396137,0.0,2.92410993576,0.0,1.38999998569,1.29999995232,1.45000004768,1.29999995232,2.16000008583,95.9400024414,7.09243011475,0.748000025749,3.92021489143,3.17221498489,12.8000001907,56,4.65000009537,1.76999998093,4.44999980927,3,1.94000005722,2.72000002861,691,2610,5560,10.1999998093,1.36000001431);
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|
INSERT INTO "atomic_data" VALUES(43,'Tc','[Kr] 4d^5 5s^2',-4.33649015427,-5.45591306686,0.0,0.0,-5.44298696518,-8.43869113922,0.0,0.0,1.11942303181,0.0,2.99570298195,0.0,1.36000001431,1.26999998093,1.35000002384,1.36000001431,1.89999997616,98.0,7.28000020981,0.550000011921,3.91499996185,3.36500000954,11.3999996185,59,5.30000019073,1.80999994278,4.21000003815,3,2.18000006676,2.65000009537,708,2140,4600,11.5,1.35000002384);
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|
INSERT INTO "atomic_data" VALUES(44,'Ru','[Kr] 4d^7 5s^1',-3.3640089035,-4.5916519165,0.0,0.0,-4.5087928772,-6.40809392929,0.0,0.0,1.22764205933,0.0,1.89930105209,0.0,1.34000003338,1.25,1.29999995232,1.41999995708,2.20000004768,101.069999695,7.36049985886,1.04999995232,4.20524978638,3.15525007248,9.60000038147,62,5.40000009537,1.83000004292,4.05999994278,3,1.97000002861,2.60500001907,717,2300,3900,12.1999998093,1.33000004292);
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|
INSERT INTO "atomic_data" VALUES(45,'Rh','[Kr] 4d^8 5s^1',-3.57614898682,-4.58533906937,0.0,0.0,-5.68563222885,-7.03055477142,0.0,0.0,1.00918900967,0.0,1.34492301941,0.0,1.34000003338,1.25,1.35000002384,1.42999994755,2.27999997139,102.905502319,7.45889997482,1.13699996471,4.29794979095,3.16094994545,8.60000038147,65,5.40000009537,1.75999999046,4.09999990463,3,1.99000000954,2.51999998093,726,1970,3730,12.3999996185,1.34000003338);
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|
INSERT INTO "atomic_data" VALUES(46,'Pd','[Kr] 4d^10',0.0,0.0,0.0,0.0,-4.37480401993,-4.37480401993,0.0,0.0,0.0,0.0,0.0,0.0,1.37000000477,1.27999997139,1.39999997616,1.35000002384,2.20000004768,106.419998169,8.33689975739,0.561999976635,4.44945001602,3.88744997978,4.80000019073,69,5.44999980927,1.66999995708,4.28999996185,3,2.07999992371,2.45000004768,811,1550,3125,12.0,1.37999999523);
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|
INSERT INTO "atomic_data" VALUES(47,'Ag','[Kr] 4d^10 5s^1',-3.88622307777,-4.55423593521,0.0,0.0,-8.00028800964,-8.16238594055,0.0,0.0,0.668012976646,0.0,0.162098005414,0.0,1.44000005722,1.34000003338,1.60000002384,1.41999995708,1.92999994755,107.868202209,7.5763001442,1.30200004578,4.43914985657,3.13715004921,7.19999980927,71,4.34999990463,1.36000001431,4.71999979019,3,1.07000005245,2.375,737,961,2210,10.5,1.44000005722);
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|
INSERT INTO "atomic_data" VALUES(48,'Cd','[Kr] 4d^10 5s^2',-5.55733013153,-5.55733013153,0.0,0.0,-12.8037796021,-12.8037796021,0.0,0.0,0.0,0.0,0.0,0.0,1.71000003815,1.40999996662,1.54999995232,1.46000003815,1.69000005722,112.411003113,8.99380016327,0.0,0.0,0.0,7.19999980927,75,4.05000019073,1.24000000954,5.53000020981,3,1.39999997616,2.21499991417,874,321,765,8.64999961853,1.49000000954);
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INSERT INTO "atomic_data" VALUES(49,'In','[Kr] 4d^10 5s^2 5p^1',-7.60653877258,-8.10170459747,-2.45993804932,-2.97785210609,-19.7949333191,-19.8675327301,0.0,0.0,0.495166003704,0.517915010452,0.0725999996066,0.0,1.65999996662,1.44000005722,1.54999995232,1.49000000954,1.77999997139,114.819999695,5.78635978699,0.300000011921,3.04317998886,2.74318003654,10.1999998093,79,3.90000009537,1.16999995708,6.28000020981,2,1.62999999523,2.04999995232,565,156,2000,7.30999994278,1.36000001431);
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|
INSERT INTO "atomic_data" VALUES(50,'Sn','[Kr] 4d^10 5s^2 5p^2',-9.38151073456,-10.4190816879,-3.26955890656,-4.30750989914,-27.1271266937,-27.2984752655,0.0,0.0,1.03757095337,1.03795194626,0.171350002289,0.0,1.62000000477,1.40999996662,1.45000004768,1.72000002861,1.96000003815,118.709999084,7.3439002037,1.11199998856,4.22795009613,3.11595010757,7.69999980927,83,4.15000009537,1.24000000954,6.42999982834,2,1.87999999523,1.87999999523,715,232,2270,7.30000019073,1.50999999046);
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|
INSERT INTO "atomic_data" VALUES(51,'Sb','[Kr] 4d^10 5s^2 5p^3',-11.0514202118,-12.6570825577,-4.01308298111,-5.58538484573,-34.9233016968,-35.2113609314,0.0,0.0,1.60566294193,1.57230198383,0.28806000948,0.0,1.59000003338,1.39999997616,1.45000004768,1.82000005245,2.04999995232,121.757003784,8.60840034485,1.04600000381,4.82719993591,3.7811999321,6.59999990463,88,4.40000009537,1.25999999046,6.59999990463,2,2.1400001049,1.76499998569,840,631,1380,6.67999982834,1.45000004768);
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INSERT INTO "atomic_data" VALUES(52,'Te','[Kr] 4d^10 5s^2 5p^4',-13.5409374237,-14.6196241379,-5.55460882187,-6.59849214554,-43.579246521,-43.7895622253,0.0,0.0,1.07868695259,1.04388403893,0.210317000747,0.0,1.41999995708,1.36000001431,1.39999997616,2.00999999046,2.09999990463,126.904502869,9.00959968567,1.97080004215,5.49020004272,3.51939988136,5.5,92,0.0,0.0,0.0,0,2.38000011444,1.66999995708,876,450,1390,6.23999977112,1.42999994755);
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INSERT INTO "atomic_data" VALUES(53,'I','[Kr] 4d^10 5s^2 5p^5',-15.9358386993,-16.4778900146,-7.0117521286,-7.53108119965,-52.6669044495,-52.7800750732,0.0,0.0,0.542051017284,0.519330024719,0.113172002137,0.0,1.32000005245,1.33000004292,1.13999998569,2.21000003815,2.66000008583,127.599998474,10.451259613,3.05903792381,6.75514888763,3.69611096382,5.34999990463,97,0.0,0.0,0.0,0,2.75999999046,1.58500003815,1015,114,183,4.94000005722,1.33000004292);
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|
INSERT INTO "atomic_data" VALUES(54,'Xe','[Kr] 4d^10 5s^2 5p^6',-18.28840065,-18.28840065,-8.43104362488,-8.43104362488,-62.2233848572,-62.2233848572,0.0,0.0,0.0,0.0,0.0,0.0,1.24000000954,1.30999994278,0.0,2.40000009537,0.0,131.289993286,12.1297998428,0.0,0.0,0.0,4.04400014877,5,0.0,0.0,0.0,0,0.0,0.0,1177,-112,-108,3.5,0.0);
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|
INSERT INTO "atomic_data" VALUES(55,'Cs','[Xe] 6s^1',-1.85930097103,-2.30085992813,0.0,0.0,0.0,0.0,0.0,0.0,0.441558986902,0.0,0.0,0.0,2.67000007629,2.34999990463,2.59999990463,0.860000014305,0.790000021458,132.905395508,3.8938999176,0.471626013517,2.18276309967,1.71113705635,59.5999984741,8,1.95000004768,0.550000011921,16.8600006104,1,0.769999980927,4.30999994278,382,29,690,1.87000000477,2.65000009537);
|
|
INSERT INTO "atomic_data" VALUES(56,'Ba','[Xe] 6s^2',-3.23725891113,-3.23725891113,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.22000002861,1.98000001907,2.15000009537,0.97000002861,0.889999985695,137.32699585,5.21169996262,0.15000000596,2.68085002899,2.53084993362,39.7000007629,14,2.31999993324,0.810000002384,11.3199996948,1,1.08000004292,3.40199995041,509,714,1640,3.5,2.17000007629);
|
|
INSERT INTO "atomic_data" VALUES(57,'La','[Xe] 5d^1 6s^2',-3.46216106415,-3.71408390999,0.0,0.0,-3.59655809402,-4.04013109207,0.0,0.0,0.251922994852,0.0,0.443572998047,0.0,1.37999999523,1.25,1.95000004768,1.08000004292,1.10000002384,138.905502319,5.57700014114,0.5,3.03850007057,2.53850007057,31.1000003815,33,3.17000007629,1.17999994755,7.98000001907,4,1.35000002384,3.07999992371,544,920,3470,6.17000007629,1.87000000477);
|
|
INSERT INTO "atomic_data" VALUES(58,'Ce','[Xe] 4f^1 5d^1 6s^2',-3.48648810387,-3.77544593811,0.0,0.0,-3.50232505798,-4.07721996307,-8.71951198578,-9.52858924866,0.288958013058,0.0,0.5748950243,0.80907702446,1.80999994278,1.64999997616,1.85000002384,1.08000004292,1.12000000477,140.115005493,5.53870010376,0.0,0.0,0.0,29.6000003815,32,3.18000006676,1.19000005722,7.76000022888,4,1.10000002384,4.5,534,795,3470,6.78000020981,1.83000004292);
|
|
INSERT INTO "atomic_data" VALUES(59,'Pr','[Xe] 4f^3 6s^2',-3.32542395592,-3.43592905998,0.0,0.0,0.0,0.0,-3.07741904259,-4.93767213821,0.110504999757,0.0,0.0,1.86025297642,1.82000005245,1.64999997616,1.85000002384,1.07000005245,1.12999999523,140.907699585,5.46400022507,0.0,0.0,0.0,28.2000007629,31,3.19000005722,1.20000004768,7.55999994278,4,1.10000002384,4.48000001907,529,935,3130,6.76999998093,1.32000005245);
|
|
INSERT INTO "atomic_data" VALUES(60,'Nd','[Xe] 4f^4 6s^2',-3.3477640152,-3.48243308067,0.0,0.0,0.0,0.0,-3.26256489754,-5.8286819458,0.134669005871,0.0,0.0,2.56611704826,1.82000005245,1.63999998569,1.85000002384,1.07000005245,1.13999998569,144.240005493,5.52500009537,0.0,0.0,0.0,31.3999996185,30,3.19000005722,1.20000004768,7.51000022888,4,1.20000004768,3.99000000954,536,1020,3030,7.0,1.80999994278);
|
|
INSERT INTO "atomic_data" VALUES(61,'Pm','[Xe] 4f^5 6s^2',-3.36942410469,-3.52591705322,0.0,0.0,0.0,0.0,-3.31339597702,-6.61204385757,0.156492993236,0.0,0.0,3.29864811897,0.0,1.62999999523,1.83000004292,1.07000005245,1.12999999523,145.0,5.57999992371,0.0,0.0,0.0,30.1000003815,29,3.19000005722,1.21000003815,7.42999982834,4,1.14999997616,3.99000000954,542,1030,2730,0.0,0.0);
|
|
INSERT INTO "atomic_data" VALUES(62,'Sm','[Xe] 4f^6 6s^2',-3.39062190056,-3.56727790833,0.0,0.0,0.0,0.0,-3.25206208229,-7.30571699142,0.176655992866,0.0,0.0,4.05365514755,1.80999994278,1.62000000477,1.85000002384,1.07000005245,1.16999995708,150.36000061,5.64359998703,0.0,0.0,0.0,28.7999992371,28,3.20000004768,1.21000003815,7.36999988556,4,1.20000004768,4.13999986649,549,1070,1900,7.53999996185,1.78999996185);
|
|
INSERT INTO "atomic_data" VALUES(63,'Eu','[Xe] 4f^7 6s^2',-3.41143894196,-3.60700702667,0.0,0.0,0.0,0.0,-3.09404492378,-7.92224502563,0.19556799531,0.0,0.0,4.82819986343,1.99000000954,1.85000002384,1.85000002384,1.00999999046,1.20000004768,151.964996338,5.67040014267,0.0,0.0,0.0,27.7000007629,18,3.20000004768,1.21000003815,7.36000013351,4,1.14999997616,3.94000005722,553,826,1440,5.26000022888,1.99000000954);
|
|
INSERT INTO "atomic_data" VALUES(64,'Gd','[Xe] 4f^7 5d^1 6s^2',-3.63538908958,-4.09602308273,0.0,0.0,-2.77934503555,-3.90807390213,-9.71781730652,-15.1763153076,0.460635006428,0.0,1.12872898579,5.4584980011,1.79999995232,1.61000001431,1.79999995232,1.11000001431,1.20000004768,157.25,6.15010023117,0.0,0.0,0.0,23.5,27,3.20000004768,1.21000003815,7.34000015259,4,1.10000002384,3.91000008583,598,1310,3000,7.88999986649,1.78999996185);
|
|
INSERT INTO "atomic_data" VALUES(65,'Tb','[Xe] 4f^9 6s^2',-3.51995801926,-3.64001488686,0.0,0.0,0.0,0.0,-4.81720685959,-8.42584705353,0.12005700171,0.0,0.0,3.60863995552,1.79999995232,1.59000003338,1.75,1.10000002384,1.20000004768,158.925292969,5.86380004883,0.0,0.0,0.0,25.5,26,3.21000003815,1.22000002861,7.19999980927,4,1.20000004768,3.8900001049,570,1360,2800,8.27000045776,1.75999999046);
|
|
INSERT INTO "atomic_data" VALUES(66,'Dy','[Xe] 4f^10 6s^2',-3.56613588333,-3.65664100647,0.0,0.0,0.0,0.0,-5.53866291046,-8.47798442841,0.0905049964786,0.0,0.0,2.93932104111,1.79999995232,1.59000003338,1.75,1.10000002384,1.22000002861,162.5,5.9388999939,0.0,0.0,0.0,24.5,24,3.21000003815,1.22000002861,7.11999988556,4,1.14999997616,3.67000007629,578,1410,2600,8.53999996185,1.75);
|
|
INSERT INTO "atomic_data" VALUES(67,'Ho','[Xe] 4f^11 6s^2',-3.60931992531,-3.67370200157,0.0,0.0,0.0,0.0,-6.18828105927,-8.42840480804,0.0643820017576,0.0,0.0,2.2401239872,1.78999996185,1.58000004292,1.75,1.10000002384,1.23000001907,164.930297852,6.02150011063,0.0,0.0,0.0,23.6000003815,23,3.22000002861,1.22000002861,7.05999994278,4,1.20000004768,3.65000009537,586,1460,2600,8.80000019073,1.74000000954);
|
|
INSERT INTO "atomic_data" VALUES(68,'Er','[Xe] 4f^12 6s^2',-3.65030002594,-3.69122600555,0.0,0.0,0.0,0.0,-6.77591085434,-8.29123210907,0.0409259982407,0.0,0.0,1.51532101631,1.77999997139,1.57000005245,1.75,1.11000001431,1.24000000954,167.259994507,6.10769987106,0.0,0.0,0.0,22.7000007629,22,3.22000002861,1.23000001907,6.98000001907,4,1.20000004768,3.63000011444,595,1500,2900,9.05000019073,1.73000001907);
|
|
INSERT INTO "atomic_data" VALUES(69,'Tm','[Xe] 4f^13 6s^2',-3.68964791298,-3.70921301842,0.0,0.0,0.0,0.0,-7.30903577805,-8.07688808441,0.0195649992675,0.0,0.0,0.767850995064,1.76999998093,1.55999994278,1.75,1.11000001431,1.25,168.934204102,6.18430995941,0.0,0.0,0.0,21.7999992371,21,3.22000002861,1.23000001907,6.90000009537,4,1.20000004768,3.59999990463,601,1550,1730,9.32999992371,0.0);
|
|
INSERT INTO "atomic_data" VALUES(70,'Yb','[Xe] 4f^14 6s^2',-3.72766208649,-3.72766208649,0.0,0.0,0.0,0.0,-7.7935628891,-7.7935628891,0.0,0.0,0.0,0.0,1.94000005722,1.70000004768,1.75999999046,1.05999994278,1.10000002384,173.039993286,6.25415992737,0.0,0.0,0.0,21.0,17,3.22000002861,1.23000001907,6.86000013351,4,1.10000002384,3.58999991417,610,824,1430,6.98000001907,1.94000005722);
|
|
INSERT INTO "atomic_data" VALUES(71,'Lu','[Xe] 4f^14 5d^1 6s^2',-4.03341007233,-4.36987876892,0.0,0.0,-2.55044293404,-3.02909088135,-15.3839378357,-15.4542789459,0.336468994617,0.0,0.478648990393,0.0703409984708,1.75,1.55999994278,1.75,1.13999998569,1.26999998093,174.966995239,5.42589998245,0.0,0.0,0.0,21.8999996185,20,3.22000002861,1.24000000954,6.80999994278,4,1.20000004768,3.36999988556,530,1650,3330,9.84000015259,1.72000002861);
|
|
INSERT INTO "atomic_data" VALUES(72,'Hf','[Xe] 4f^14 5d^2 6s^2',-4.17926311493,-4.78686618805,0.0,0.0,-3.31554603577,-4.32511615753,-23.5275211334,-23.6885585785,0.607603013515,0.0,1.00957000256,0.161036998034,1.66999995708,1.44000005722,1.54999995232,1.23000001907,1.29999995232,178.490005493,6.82506990433,0.0,3.41253495216,3.41253495216,16.2000007629,50,3.59999990463,1.45000004768,5.65000009537,3,1.73000001907,2.91000008583,680,2000,5400,13.1000003815,1.55999994278);
|
|
INSERT INTO "atomic_data" VALUES(73,'Ta','[Xe] 4f^14 5d^3 6s^2',-4.26908779144,-5.10151195526,0.0,0.0,-4.01330089569,-5.57896280289,-32.3138923645,-32.5788192749,0.832423985004,0.0,1.56566202641,0.264930009842,1.49000000954,1.34000003338,1.45000004768,1.33000004292,1.5,180.947906494,7.54960012436,0.321999996901,3.93580007553,3.61380004883,13.1000003815,52,4.05000019073,1.62999999523,4.88999986649,3,1.94000005722,2.78999996185,767,3000,5430,16.6000003815,1.42999994755);
|
|
INSERT INTO "atomic_data" VALUES(74,'W','[Xe] 4f^14 5d^4 6s^2',-4.33205509186,-5.35569286346,0.0,0.0,-4.67736816406,-6.81583023071,-41.7318115234,-42.1114082336,1.02363801003,0.0,2.13846206665,0.379599004984,1.40999996662,1.29999995232,1.35000002384,1.39999997616,2.3599998951,183.850006104,7.8639998436,0.814999997616,4.33949995041,3.52449989319,11.1000003815,55,4.80000019073,1.80999994278,4.5,3,1.78999996185,2.7349998951,776,3410,5930,19.2999992371,1.37000000477);
|
|
INSERT INTO "atomic_data" VALUES(75,'Re','[Xe] 4f^14 5d^5 6s^2',-4.38000106812,-5.56968402863,0.0,0.0,-5.32244110107,-8.04720020294,-51.7570610046,-52.2610168457,1.18968200684,0.0,2.72475910187,0.503955006599,1.37000000477,1.27999997139,1.35000002384,1.46000003815,1.89999997616,186.207000732,7.83349990845,0.15000000596,3.99175000191,3.84174990654,9.69999980927,58,5.19999980927,1.85000002384,4.28000020981,3,2.05999994278,2.68000006676,766,3180,5630,21.0,1.37000000477);
|
|
INSERT INTO "atomic_data" VALUES(76,'Os','[Xe] 4f^14 5d^6 6s^2',-4.72256612778,-5.59518098831,0.0,0.0,-6.78372001648,-8.97532653809,-62.7424125671,-63.1699867249,0.872614979744,0.0,2.19160604477,0.427572995424,1.35000002384,1.25999999046,1.29999995232,1.51999998093,2.20000004768,190.199996948,8.43819999695,1.10000002384,4.76910018921,3.66910004616,8.5,63,5.40000009537,1.85000002384,4.15000009537,3,1.85000002384,2.65000009537,850,3000,5500,22.3999996185,1.34000003338);
|
|
INSERT INTO "atomic_data" VALUES(77,'Ir','[Xe] 4f^14 5d^7 6s^2',-4.99451589584,-5.6008682251,0.0,0.0,-8.1960735321,-9.84783267975,-74.2423553467,-74.5795898438,0.606351971626,0.0,1.65175902843,0.337231010199,1.36000001431,1.26999998093,1.35000002384,1.54999995232,2.20000004768,192.220001221,8.96700000763,1.5637999773,5.26539993286,3.70160007477,7.59999990463,66,5.55000019073,1.83000004292,4.17000007629,3,1.87000000477,2.62800002098,880,2450,4500,22.5,1.36000001431);
|
|
INSERT INTO "atomic_data" VALUES(78,'Pt','[Xe] 4f^14 5d^9 6s^1',-3.91449594498,-4.7045249939,0.0,0.0,-7.01651382446,-7.72537088394,-82.539932251,-82.6585998535,0.790028989315,0.0,0.708856999874,0.118669003248,1.38999998569,1.29999995232,1.35000002384,1.44000005722,2.27999997139,195.080001831,8.95870018005,2.12800002098,5.54335021973,3.41534996033,6.5,68,5.65000009537,1.77999997139,4.36000013351,3,1.90999996662,2.70000004768,870,1770,3825,21.3999996185,1.38999998569);
|
|
INSERT INTO "atomic_data" VALUES(79,'Au','[Xe] 4f^14 5d^10 6s^1',-4.05803585052,-4.67195177078,0.0,0.0,-8.16703891754,-8.34225273132,-94.8371200562,-94.8449249268,0.613915979862,0.0,0.175213992596,0.00780999986455,1.46000003815,1.34000003338,1.35000002384,1.41999995708,2.53999996185,196.966506958,9.22550010681,2.30862998962,5.76706504822,3.45843505859,5.80000019073,70,5.15000009537,1.57000005245,4.69999980927,3,1.19000005722,2.66000008583,896,1063,2970,19.2999992371,1.44000005722);
|
|
INSERT INTO "atomic_data" VALUES(80,'Hg','[Xe] 4f^14 5d^10 6s^2',-5.58206510544,-5.58206510544,0.0,0.0,-12.314573288,-12.314573288,-111.84677124,-111.84677124,0.0,0.0,0.0,0.0,1.60000002384,1.49000000954,1.5,1.44000005722,2.0,200.589996338,10.4375,0.0,0.0,0.0,5.69999980927,74,4.19999980927,1.24000000954,5.82999992371,3,1.49000000954,2.41000008583,1013,-39,357,13.529999733,1.5);
|
|
INSERT INTO "atomic_data" VALUES(81,'Tl','[Xe] 4f^14 5d^10 6s^2 6p^1',-7.48411512375,-7.93865394592,-2.47234606743,-2.96057295799,-18.2774353027,-18.3540897369,-131.542770386,-131.550552368,0.454539000988,0.488227009773,0.0766550004482,0.007782000117,1.71000003815,1.48000001907,1.89999997616,1.44000005722,2.03999996185,204.383300781,6.10820007324,0.20000000298,3.15409994125,2.95409989357,7.59999990463,78,3.90000009537,1.12000000477,6.67000007629,2,1.69000005722,2.2349998951,596,303,1460,11.8500003815,1.70000004768);
|
|
INSERT INTO "atomic_data" VALUES(82,'Pb','[Xe] 4f^14 5d^10 6s^2 6p^2',-9.11970996857,-10.0580949783,-3.25124502182,-4.21439313889,-24.3539848328,-24.5292263031,-152.050445557,-152.074005127,0.938385009766,0.963147997856,0.1752409935,0.0235649999231,1.75,1.47000002861,1.79999995232,1.54999995232,2.32999992371,207.199996948,7.416659832,0.363999992609,3.89033007622,3.5263299942,6.80000019073,82,4.09999990463,1.14999997616,6.94000005722,2,1.91999995708,2.08999991417,722,327,1740,11.3999996185,1.75);
|
|
INSERT INTO "atomic_data" VALUES(83,'Bi','[Xe] 4f^14 5d^10 6s^2 6p^3',-10.642950058,-12.0797119141,-3.96042895317,-5.40200710297,-30.6616420746,-30.9494838715,-173.45123291,-173.497817993,1.43676197529,1.44157803059,0.287842005491,0.0465859994292,1.70000004768,1.46000003815,1.60000002384,1.66999995708,2.01999998093,208.980392456,7.28560018539,0.945999979973,4.11579990387,3.16980004311,7.40000009537,87,4.15000009537,1.15999996662,7.19999980927,2,2.1400001049,1.99699997902,710,271,1560,9.80000019073,1.54999995232);
|
|
INSERT INTO "atomic_data" VALUES(84,'Po','[Xe] 4f^14 5d^10 6s^2 6p^4',-12.8676176071,-13.8249969482,-5.3762922287,-6.3245549202,-37.5555152893,-37.7610702515,-196.00668335,-196.045181274,0.957378983498,0.948262989521,0.205555006862,0.0385040007532,1.66999995708,1.52999997139,1.89999997616,1.75999999046,2.0,209.0,8.4167098999,1.89999997616,5.15835523605,3.25835490227,6.80000019073,91,0.0,0.0,0.0,2,2.40000009537,1.89999997616,818,254,962,9.39999961853,1.66999995708);
|
|
INSERT INTO "atomic_data" VALUES(85,'At','[Xe] 4f^14 5d^10 6s^2 6p^5',-14.9871959686,-15.4649734497,-6.70107889175,-7.16884279251,-44.6603012085,-44.7689285278,-219.392044067,-219.414794922,0.477777987719,0.467763990164,0.108627997339,0.0227489992976,1.45000004768,1.47000002861,0.0,1.89999997616,2.20000004768,210.0,0.0,2.79999995232,0.0,0.0,6.0,96,0.0,0.0,0.0,0,2.6400001049,1.83000004292,0,302,335,0.0,0.0);
|
|
INSERT INTO "atomic_data" VALUES(86,'Rn','[Xe] 4f^14 5d^10 6s^2 6p^6',-17.0498466492,-17.0498466492,-7.9778380394,-7.9778380394,-52.0099372864,-52.0099372864,-243.632324219,-243.632324219,0.0,0.0,0.0,0.0,1.34000003338,0.0,0.0,2.05999994278,0.0,213.035903931,10.7484998703,0.0,0.0,0.0,5.30000019073,6,0.0,0.0,0.0,0,0.0,0.0,1043,-71,-62,4.40000009537,0.0);
|
|
INSERT INTO "atomic_data" VALUES(87,'Fr','[Rn] 7s^1',-1.81412994862,-2.22246408463,0.0,0.0,0.0,0.0,0.0,0.0,0.408333986998,0.0,0.0,0.0,2.70000004768,0.0,0.0,0.860000014305,0.699999988079,222.0,4.07270002365,0.460000008345,2.2663500309,1.80634999275,48.7000007629,7,0.0,0.0,0.0,1,0.699999988079,4.36999988556,0,27,680,0.0,0.0);
|
|
INSERT INTO "atomic_data" VALUES(88,'Ra','[Rn] 7s^2',-3.09480690956,-3.09480690956,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.32999992371,0.0,2.15000009537,0.97000002861,0.899999976158,223.0,5.27839994431,0.0,0.0,0.0,38.2999992371,13,0.0,0.0,0.0,1,0.899999976158,3.52999997139,516,700,1530,5.0,0.0);
|
|
INSERT INTO "atomic_data" VALUES(89,'Ac','[Rn] 6d^1 7s^2',-3.31301498413,-3.55508804321,0.0,0.0,-3.52910089493,-3.93370699883,0.0,0.0,0.242072999477,0.0,0.40460601449,0.0,1.87999999523,0.0,1.92999994755,1.0,1.10000002384,226.025405884,5.17000007629,0.0,0.0,0.0,32.0999984741,48,0.0,0.0,0.0,5,1.10000002384,3.11999988556,670,1050,3200,0.0,0.0);
|
|
INSERT INTO "atomic_data" VALUES(90,'Th','[Rn] 6d^2 7s^2',-3.44999694824,-3.8928360939,0.0,0.0,-4.23401212692,-5.06126594543,0.0,0.0,0.442838013172,0.0,0.827253997326,0.0,1.79999995232,1.64999997616,1.79999995232,1.11000001431,1.29999995232,227.0,6.30670022964,0.0,0.0,0.0,32.0999984741,47,3.29999995232,1.27999997139,7.32000017166,5,1.29999995232,4.98000001907,0,1700,4200,11.6999998093,1.79999995232);
|
|
INSERT INTO "atomic_data" VALUES(91,'Pa','[Rn] 5f^2 6d^1 7s^2',-3.3474919796,-3.67013788223,0.0,0.0,-3.47367095947,-4.18247413635,-7.91644906998,-9.13347911835,0.322645992041,0.0,0.708802998066,1.21703004837,1.61000001431,0.0,1.79999995232,1.13999998569,1.5,232.038101196,5.88999986649,0.0,0.0,0.0,25.3999996185,46,0.0,0.0,0.0,5,1.5,4.96000003815,0,1230,0,15.3999996185,1.61000001431);
|
|
INSERT INTO "atomic_data" VALUES(92,'U','[Rn] 5f^3 6d^1 7s^2',-3.36341094971,-3.71634292603,0.0,0.0,-3.41660904884,-4.24772691727,-8.92389678955,-10.7035226822,0.352932006121,0.0,0.831117987633,1.77962601185,1.37999999523,1.41999995708,1.75,1.22000002861,1.37999999523,238.028900146,6.19404983521,0.0,0.0,0.0,24.8999996185,45,3.90000009537,1.50999999046,5.57000017166,5,1.70000004768,4.71999979019,0,1130,3820,18.8999996185,1.38999998569);
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CREATE TABLE lsd_data (
|
|
num integer,
|
|
name character varying(2),
|
|
config character varying(26),
|
|
esup double precision,
|
|
esdown double precision,
|
|
epup double precision,
|
|
epdown double precision,
|
|
edup double precision,
|
|
eddown double precision,
|
|
efup double precision,
|
|
efdown double precision,
|
|
des double precision,
|
|
dep double precision,
|
|
ded double precision,
|
|
def double precision
|
|
);
|
|
INSERT INTO "lsd_data" VALUES(1,'H','1s^1',-2.72590208054,-7.31918621063,0.0,0.0,0.0,0.0,0.0,0.0,4.5932841301,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(2,'He','1s^2',-15.5220632553,-15.5220632553,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(3,'Li','[He] 2s^1',-2.09133195877,-3.16482210159,0.0,0.0,0.0,0.0,0.0,0.0,1.07349002361,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(4,'Be','[He] 2s^2',-5.59858179092,-5.59858179092,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(5,'B','[He] 2s^2 2p^1',-8.67020511627,-9.8081035614,-3.07989501953,-4.10492086411,0.0,0.0,0.0,0.0,1.13789904118,1.02502596378,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(6,'C','[He] 2s^2 2p^2',-11.8387546539,-14.4567642212,-3.79013991356,-6.19214487076,0.0,0.0,0.0,0.0,2.61800909042,2.4020049572,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(7,'N','[He] 2s^2 2p^3',-15.2752275467,-19.6128883362,-4.37300777435,-8.40418624878,0.0,0.0,0.0,0.0,4.33765983582,4.03117799759,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(8,'O','[He] 2s^2 2p^4',-21.8136920929,-24.9135055542,-7.41099786758,-10.3711633682,0.0,0.0,0.0,0.0,3.09981393814,2.9601650238,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(9,'F','[He] 2s^2 2p^5',-28.684135437,-30.3153495789,-10.4478435516,-12.0315752029,0.0,0.0,0.0,0.0,1.63121497631,1.58373105526,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(10,'Ne','[He] 2s^2 2p^6',-35.9954833984,-35.9954833984,-13.5522022247,-13.5522022247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(11,'Na','[Ne] 3s^1',-2.21879005432,-3.0804669857,0.0,0.0,0.0,0.0,0.0,0.0,0.861675977707,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(12,'Mg','[Ne] 3s^2',-4.77361392975,-4.77361392975,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(13,'Al','[Ne] 3s^2 3p^1',-7.39970493317,-8.06213855743,-2.41754198074,-3.02718710899,0.0,0.0,0.0,0.0,0.662433981895,0.609643995762,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(14,'Si','[Ne] 3s^2 3p^2',-9.83958816528,-11.3410043716,-3.29029393196,-4.63184309006,0.0,0.0,0.0,0.0,1.50141596794,1.34154903889,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(15,'P','[Ne] 3s^2 3p^3',-12.2498102188,-14.7022380829,-4.12233686447,-6.2961192131,0.0,0.0,0.0,0.0,2.4524269104,2.17378306389,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(16,'S','[Ne] 3s^2 3p^4',-16.1379108429,-17.8551940918,-6.21195411682,-7.73644590378,0.0,0.0,0.0,0.0,1.71728396416,1.52449095249,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(17,'Cl','[Ne] 3s^2 3p^5',-20.0472106934,-20.9383296967,-8.28943634033,-9.08311080933,0.0,0.0,0.0,0.0,0.891119003296,0.793675005436,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(18,'Ar','[Ne] 3s^2 3p^6',-24.0381145477,-24.0381145477,-10.4037351608,-10.4037351608,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(19,'K','[Ar] 4s^1',-2.02398395538,-2.61776399612,0.0,0.0,0.0,0.0,0.0,0.0,0.593779981136,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(20,'Ca','[Ar] 4s^2',-3.84799098969,-3.84799098969,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(21,'Sc','[Ar] 3d^1 4s^2',-4.1057100296,-4.38000106812,0.0,0.0,-3.19108104706,-3.84053492546,0.0,0.0,0.274291008711,0.0,0.649453997612,0.0);
|
|
INSERT INTO "lsd_data" VALUES(22,'Ti','[Ar] 3d^2 4s^2',-4.26193094254,-4.75584506989,0.0,0.0,-3.74589395523,-5.17106389999,0.0,0.0,0.493914008141,0.0,1.42516994476,0.0);
|
|
INSERT INTO "lsd_data" VALUES(23,'V','[Ar] 3d^3 4s^2',-4.3844370842,-5.06894016266,0.0,0.0,-4.09229516983,-6.38003921509,0.0,0.0,0.684503018856,0.0,2.28774404526,0.0);
|
|
INSERT INTO "lsd_data" VALUES(24,'Cr','[Ar] 3d^5 4s^1',-2.56189894676,-4.53230381012,0.0,0.0,-0.307924002409,-3.98274207115,0.0,0.0,1.97040498257,0.0,3.67481803894,0.0);
|
|
INSERT INTO "lsd_data" VALUES(25,'Mn','[Ar] 3d^5 4s^2',-4.5876789093,-5.60451412201,0.0,0.0,-4.3716468811,-8.58021736145,0.0,0.0,1.01683604717,0.0,4.20857000351,0.0);
|
|
INSERT INTO "lsd_data" VALUES(26,'Fe','[Ar] 3d^6 4s^2',-4.96915483475,-5.71406698227,0.0,0.0,-5.82084512711,-9.35538768768,0.0,0.0,0.744912028313,0.0,3.53454303741,0.0);
|
|
INSERT INTO "lsd_data" VALUES(27,'Co','[Ar] 3d^7 4s^2',-5.28586912155,-5.80631399155,0.0,0.0,-7.16838121414,-9.92454242706,0.0,0.0,0.520444989204,0.0,2.7561609745,0.0);
|
|
INSERT INTO "lsd_data" VALUES(28,'Ni','[Ar] 3d^8 4s^2',-5.56535720825,-5.89268302917,0.0,0.0,-8.44614601135,-10.3455018997,0.0,0.0,0.327325999737,0.0,1.89935600758,0.0);
|
|
INSERT INTO "lsd_data" VALUES(29,'Cu','[Ar] 3d^10 4s^1',-4.18797111511,-5.00725078583,0.0,0.0,-5.36361217499,-5.50960111618,0.0,0.0,0.819280982018,0.0,0.145989000797,0.0);
|
|
INSERT INTO "lsd_data" VALUES(30,'Zn','[Ar] 3d^10 4s^2',-6.06065893173,-6.06065893173,0.0,0.0,-10.8558254242,-10.8558254242,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(31,'Ga','[Ar] 3d^10 4s^2 4p^1',-8.56250190735,-9.1530714035,-2.4025220871,-2.99869608879,-19.9347457886,-20.0011959076,0.0,0.0,0.590569019318,0.596175014973,0.0664499998093,0.0);
|
|
INSERT INTO "lsd_data" VALUES(32,'Ge','[Ar] 3d^10 4s^2 4p^2',-10.7624616623,-12.0428676605,-3.27875590324,-4.50936412811,-30.1303119659,-30.2976341248,0.0,0.0,1.28040504456,1.23060798645,0.167322993279,0.0);
|
|
INSERT INTO "lsd_data" VALUES(33,'As','[Ar] 3d^10 4s^2 4p^3',-12.8657951355,-14.8904323578,-4.09041786194,-5.99551486969,-41.4961891174,-41.7899093628,0.0,0.0,2.02463698387,1.90509700775,0.293720006943,0.0);
|
|
INSERT INTO "lsd_data" VALUES(34,'Se','[Ar] 3d^10 4s^2 4p^4',-16.0815029144,-17.4628334045,-5.92803096771,-7.21396017075,-54.5032081604,-54.7263145447,0.0,0.0,1.38133203983,1.28592896461,0.223105996847,0.0);
|
|
INSERT INTO "lsd_data" VALUES(35,'Br','[Ar] 3d^10 4s^2 4p^5',-19.2149219513,-19.9169483185,-7.68743801117,-8.33602237701,-68.5435562134,-68.6673126221,0.0,0.0,0.702027022839,0.648584008217,0.123756997287,0.0);
|
|
INSERT INTO "lsd_data" VALUES(36,'Kr','[Ar] 3d^10 4s^2 4p^6',-22.3289661407,-22.3289661407,-9.42439556122,-9.42439556122,-83.6508102417,-83.6508102417,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(37,'Rb','[Kr] 5s^1',-1.98371100426,-2.5068230629,0.0,0.0,0.0,0.0,0.0,0.0,0.523111999035,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(38,'Sr','[Kr] 5s^2',-3.58627200127,-3.58627200127,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(39,'Y','[Kr] 4d^1 5s^2',-3.92363905907,-4.24293804169,0.0,0.0,-2.67733001709,-3.17170596123,0.0,0.0,0.319299012423,0.0,0.494376987219,0.0);
|
|
INSERT INTO "lsd_data" VALUES(40,'Zr','[Kr] 4d^2 5s^2',-4.08859395981,-4.66182994843,0.0,0.0,-3.4683380127,-4.53088903427,0.0,0.0,0.573234975338,0.0,1.06255102158,0.0);
|
|
INSERT INTO "lsd_data" VALUES(41,'Nb','[Kr] 4d^4 5s^1',-2.66176509857,-4.37703514099,0.0,0.0,-1.69880795479,-4.02105617523,0.0,0.0,1.71527099609,0.0,2.32224798203,0.0);
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|
INSERT INTO "lsd_data" VALUES(42,'Mo','[Kr] 4d^5 5s^1',-2.60554599762,-4.50549983978,0.0,0.0,-1.99671804905,-4.9208278656,0.0,0.0,1.89995396137,0.0,2.92410993576,0.0);
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|
INSERT INTO "lsd_data" VALUES(43,'Tc','[Kr] 4d^5 5s^2',-4.33649015427,-5.45591306686,0.0,0.0,-5.44298696518,-8.43869113922,0.0,0.0,1.11942303181,0.0,2.99570298195,0.0);
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|
INSERT INTO "lsd_data" VALUES(44,'Ru','[Kr] 4d^7 5s^1',-3.3640089035,-4.5916519165,0.0,0.0,-4.5087928772,-6.40809392929,0.0,0.0,1.22764205933,0.0,1.89930105209,0.0);
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|
INSERT INTO "lsd_data" VALUES(45,'Rh','[Kr] 4d^8 5s^1',-3.57614898682,-4.58533906937,0.0,0.0,-5.68563222885,-7.03055477142,0.0,0.0,1.00918900967,0.0,1.34492301941,0.0);
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|
INSERT INTO "lsd_data" VALUES(46,'Pd','[Kr] 4d^10',0.0,0.0,0.0,0.0,-4.37480401993,-4.37480401993,0.0,0.0,0.0,0.0,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(47,'Ag','[Kr] 4d^10 5s^1',-3.88622307777,-4.55423593521,0.0,0.0,-8.00028800964,-8.16238594055,0.0,0.0,0.668012976646,0.0,0.162098005414,0.0);
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|
INSERT INTO "lsd_data" VALUES(48,'Cd','[Kr] 4d^10 5s^2',-5.55733013153,-5.55733013153,0.0,0.0,-12.8037796021,-12.8037796021,0.0,0.0,0.0,0.0,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(49,'In','[Kr] 4d^10 5s^2 5p^1',-7.60653877258,-8.10170459747,-2.45993804932,-2.97785210609,-19.7949333191,-19.8675327301,0.0,0.0,0.495166003704,0.517915010452,0.0725999996066,0.0);
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|
INSERT INTO "lsd_data" VALUES(50,'Sn','[Kr] 4d^10 5s^2 5p^2',-9.38151073456,-10.4190816879,-3.26955890656,-4.30750989914,-27.1271266937,-27.2984752655,0.0,0.0,1.03757095337,1.03795194626,0.171350002289,0.0);
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|
INSERT INTO "lsd_data" VALUES(51,'Sb','[Kr] 4d^10 5s^2 5p^3',-11.0514202118,-12.6570825577,-4.01308298111,-5.58538484573,-34.9233016968,-35.2113609314,0.0,0.0,1.60566294193,1.57230198383,0.28806000948,0.0);
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|
INSERT INTO "lsd_data" VALUES(52,'Te','[Kr] 4d^10 5s^2 5p^4',-13.5409374237,-14.6196241379,-5.55460882187,-6.59849214554,-43.579246521,-43.7895622253,0.0,0.0,1.07868695259,1.04388403893,0.210317000747,0.0);
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|
INSERT INTO "lsd_data" VALUES(53,'I','[Kr] 4d^10 5s^2 5p^5',-15.9358386993,-16.4778900146,-7.0117521286,-7.53108119965,-52.6669044495,-52.7800750732,0.0,0.0,0.542051017284,0.519330024719,0.113172002137,0.0);
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|
INSERT INTO "lsd_data" VALUES(54,'Xe','[Kr] 4d^10 5s^2 5p^6',-18.28840065,-18.28840065,-8.43104362488,-8.43104362488,-62.2233848572,-62.2233848572,0.0,0.0,0.0,0.0,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(55,'Cs','[Xe] 6s^1',-1.85930097103,-2.30085992813,0.0,0.0,0.0,0.0,0.0,0.0,0.441558986902,0.0,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(56,'Ba','[Xe] 6s^2',-3.23725891113,-3.23725891113,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(57,'La','[Xe] 5d^1 6s^2',-3.46216106415,-3.71408390999,0.0,0.0,-3.59655809402,-4.04013109207,0.0,0.0,0.251922994852,0.0,0.443572998047,0.0);
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|
INSERT INTO "lsd_data" VALUES(58,'Ce','[Xe] 4f^1 5d^1 6s^2',-3.48648810387,-3.77544593811,0.0,0.0,-3.50232505798,-4.07721996307,-8.71951198578,-9.52858924866,0.288958013058,0.0,0.5748950243,0.80907702446);
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|
INSERT INTO "lsd_data" VALUES(59,'Pr','[Xe] 4f^3 6s^2',-3.32542395592,-3.43592905998,0.0,0.0,0.0,0.0,-3.07741904259,-4.93767213821,0.110504999757,0.0,0.0,1.86025297642);
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|
INSERT INTO "lsd_data" VALUES(60,'Nd','[Xe] 4f^4 6s^2',-3.3477640152,-3.48243308067,0.0,0.0,0.0,0.0,-3.26256489754,-5.8286819458,0.134669005871,0.0,0.0,2.56611704826);
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|
INSERT INTO "lsd_data" VALUES(61,'Pm','[Xe] 4f^5 6s^2',-3.36942410469,-3.52591705322,0.0,0.0,0.0,0.0,-3.31339597702,-6.61204385757,0.156492993236,0.0,0.0,3.29864811897);
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|
INSERT INTO "lsd_data" VALUES(62,'Sm','[Xe] 4f^6 6s^2',-3.39062190056,-3.56727790833,0.0,0.0,0.0,0.0,-3.25206208229,-7.30571699142,0.176655992866,0.0,0.0,4.05365514755);
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|
INSERT INTO "lsd_data" VALUES(63,'Eu','[Xe] 4f^7 6s^2',-3.41143894196,-3.60700702667,0.0,0.0,0.0,0.0,-3.09404492378,-7.92224502563,0.19556799531,0.0,0.0,4.82819986343);
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|
INSERT INTO "lsd_data" VALUES(64,'Gd','[Xe] 4f^7 5d^1 6s^2',-3.63538908958,-4.09602308273,0.0,0.0,-2.77934503555,-3.90807390213,-9.71781730652,-15.1763153076,0.460635006428,0.0,1.12872898579,5.4584980011);
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|
INSERT INTO "lsd_data" VALUES(65,'Tb','[Xe] 4f^9 6s^2',-3.51995801926,-3.64001488686,0.0,0.0,0.0,0.0,-4.81720685959,-8.42584705353,0.12005700171,0.0,0.0,3.60863995552);
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|
INSERT INTO "lsd_data" VALUES(66,'Dy','[Xe] 4f^10 6s^2',-3.56613588333,-3.65664100647,0.0,0.0,0.0,0.0,-5.53866291046,-8.47798442841,0.0905049964786,0.0,0.0,2.93932104111);
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|
INSERT INTO "lsd_data" VALUES(67,'Ho','[Xe] 4f^11 6s^2',-3.60931992531,-3.67370200157,0.0,0.0,0.0,0.0,-6.18828105927,-8.42840480804,0.0643820017576,0.0,0.0,2.2401239872);
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|
INSERT INTO "lsd_data" VALUES(68,'Er','[Xe] 4f^12 6s^2',-3.65030002594,-3.69122600555,0.0,0.0,0.0,0.0,-6.77591085434,-8.29123210907,0.0409259982407,0.0,0.0,1.51532101631);
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|
INSERT INTO "lsd_data" VALUES(69,'Tm','[Xe] 4f^13 6s^2',-3.68964791298,-3.70921301842,0.0,0.0,0.0,0.0,-7.30903577805,-8.07688808441,0.0195649992675,0.0,0.0,0.767850995064);
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|
INSERT INTO "lsd_data" VALUES(70,'Yb','[Xe] 4f^14 6s^2',-3.72766208649,-3.72766208649,0.0,0.0,0.0,0.0,-7.7935628891,-7.7935628891,0.0,0.0,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(71,'Lu','[Xe] 4f^14 5d^1 6s^2',-4.03341007233,-4.36987876892,0.0,0.0,-2.55044293404,-3.02909088135,-15.3839378357,-15.4542789459,0.336468994617,0.0,0.478648990393,0.0703409984708);
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|
INSERT INTO "lsd_data" VALUES(72,'Hf','[Xe] 4f^14 5d^2 6s^2',-4.17926311493,-4.78686618805,0.0,0.0,-3.31554603577,-4.32511615753,-23.5275211334,-23.6885585785,0.607603013515,0.0,1.00957000256,0.161036998034);
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|
INSERT INTO "lsd_data" VALUES(73,'Ta','[Xe] 4f^14 5d^3 6s^2',-4.26908779144,-5.10151195526,0.0,0.0,-4.01330089569,-5.57896280289,-32.3138923645,-32.5788192749,0.832423985004,0.0,1.56566202641,0.264930009842);
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|
INSERT INTO "lsd_data" VALUES(74,'W','[Xe] 4f^14 5d^4 6s^2',-4.33205509186,-5.35569286346,0.0,0.0,-4.67736816406,-6.81583023071,-41.7318115234,-42.1114082336,1.02363801003,0.0,2.13846206665,0.379599004984);
|
|
INSERT INTO "lsd_data" VALUES(75,'Re','[Xe] 4f^14 5d^5 6s^2',-4.38000106812,-5.56968402863,0.0,0.0,-5.32244110107,-8.04720020294,-51.7570610046,-52.2610168457,1.18968200684,0.0,2.72475910187,0.503955006599);
|
|
INSERT INTO "lsd_data" VALUES(76,'Os','[Xe] 4f^14 5d^6 6s^2',-4.72256612778,-5.59518098831,0.0,0.0,-6.78372001648,-8.97532653809,-62.7424125671,-63.1699867249,0.872614979744,0.0,2.19160604477,0.427572995424);
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|
INSERT INTO "lsd_data" VALUES(77,'Ir','[Xe] 4f^14 5d^7 6s^2',-4.99451589584,-5.6008682251,0.0,0.0,-8.1960735321,-9.84783267975,-74.2423553467,-74.5795898438,0.606351971626,0.0,1.65175902843,0.337231010199);
|
|
INSERT INTO "lsd_data" VALUES(78,'Pt','[Xe] 4f^14 5d^9 6s^1',-3.91449594498,-4.7045249939,0.0,0.0,-7.01651382446,-7.72537088394,-82.539932251,-82.6585998535,0.790028989315,0.0,0.708856999874,0.118669003248);
|
|
INSERT INTO "lsd_data" VALUES(79,'Au','[Xe] 4f^14 5d^10 6s^1',-4.05803585052,-4.67195177078,0.0,0.0,-8.16703891754,-8.34225273132,-94.8371200562,-94.8449249268,0.613915979862,0.0,0.175213992596,0.00780999986455);
|
|
INSERT INTO "lsd_data" VALUES(80,'Hg','[Xe] 4f^14 5d^10 6s^2',-5.58206510544,-5.58206510544,0.0,0.0,-12.314573288,-12.314573288,-111.84677124,-111.84677124,0.0,0.0,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(81,'Tl','[Xe] 4f^14 5d^10 6s^2 6p^1',-7.48411512375,-7.93865394592,-2.47234606743,-2.96057295799,-18.2774353027,-18.3540897369,-131.542770386,-131.550552368,0.454539000988,0.488227009773,0.0766550004482,0.007782000117);
|
|
INSERT INTO "lsd_data" VALUES(82,'Pb','[Xe] 4f^14 5d^10 6s^2 6p^2',-9.11970996857,-10.0580949783,-3.25124502182,-4.21439313889,-24.3539848328,-24.5292263031,-152.050445557,-152.074005127,0.938385009766,0.963147997856,0.1752409935,0.0235649999231);
|
|
INSERT INTO "lsd_data" VALUES(83,'Bi','[Xe] 4f^14 5d^10 6s^2 6p^3',-10.642950058,-12.0797119141,-3.96042895317,-5.40200710297,-30.6616420746,-30.9494838715,-173.45123291,-173.497817993,1.43676197529,1.44157803059,0.287842005491,0.0465859994292);
|
|
INSERT INTO "lsd_data" VALUES(84,'Po','[Xe] 4f^14 5d^10 6s^2 6p^4',-12.8676176071,-13.8249969482,-5.3762922287,-6.3245549202,-37.5555152893,-37.7610702515,-196.00668335,-196.045181274,0.957378983498,0.948262989521,0.205555006862,0.0385040007532);
|
|
INSERT INTO "lsd_data" VALUES(85,'At','[Xe] 4f^14 5d^10 6s^2 6p^5',-14.9871959686,-15.4649734497,-6.70107889175,-7.16884279251,-44.6603012085,-44.7689285278,-219.392044067,-219.414794922,0.477777987719,0.467763990164,0.108627997339,0.0227489992976);
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|
INSERT INTO "lsd_data" VALUES(86,'Rn','[Xe] 4f^14 5d^10 6s^2 6p^6',-17.0498466492,-17.0498466492,-7.9778380394,-7.9778380394,-52.0099372864,-52.0099372864,-243.632324219,-243.632324219,0.0,0.0,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(87,'Fr','[Rn] 7s^1',-1.81412994862,-2.22246408463,0.0,0.0,0.0,0.0,0.0,0.0,0.408333986998,0.0,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(88,'Ra','[Rn] 7s^2',-3.09480690956,-3.09480690956,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(89,'Ac','[Rn] 6d^1 7s^2',-3.31301498413,-3.55508804321,0.0,0.0,-3.52910089493,-3.93370699883,0.0,0.0,0.242072999477,0.0,0.40460601449,0.0);
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|
INSERT INTO "lsd_data" VALUES(90,'Th','[Rn] 6d^2 7s^2',-3.44999694824,-3.8928360939,0.0,0.0,-4.23401212692,-5.06126594543,0.0,0.0,0.442838013172,0.0,0.827253997326,0.0);
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|
INSERT INTO "lsd_data" VALUES(91,'Pa','[Rn] 5f^2 6d^1 7s^2',-3.3474919796,-3.67013788223,0.0,0.0,-3.47367095947,-4.18247413635,-7.91644906998,-9.13347911835,0.322645992041,0.0,0.708802998066,1.21703004837);
|
|
INSERT INTO "lsd_data" VALUES(92,'U','[Rn] 5f^3 6d^1 7s^2',-3.36341094971,-3.71634292603,0.0,0.0,-3.41660904884,-4.24772691727,-8.92389678955,-10.7035226822,0.352932006121,0.0,0.831117987633,1.77962601185);
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|
INSERT INTO "lsd_data" VALUES(1,'H','1s^1',-2.72590208054,-7.31918621063,0.0,0.0,0.0,0.0,0.0,0.0,4.5932841301,0.0,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(2,'He','1s^2',-15.5220632553,-15.5220632553,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(3,'Li','[He] 2s^1',-2.09133195877,-3.16482210159,0.0,0.0,0.0,0.0,0.0,0.0,1.07349002361,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(4,'Be','[He] 2s^2',-5.59858179092,-5.59858179092,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(5,'B','[He] 2s^2 2p^1',-8.67020511627,-9.8081035614,-3.07989501953,-4.10492086411,0.0,0.0,0.0,0.0,1.13789904118,1.02502596378,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(6,'C','[He] 2s^2 2p^2',-11.8387546539,-14.4567642212,-3.79013991356,-6.19214487076,0.0,0.0,0.0,0.0,2.61800909042,2.4020049572,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(7,'N','[He] 2s^2 2p^3',-15.2752275467,-19.6128883362,-4.37300777435,-8.40418624878,0.0,0.0,0.0,0.0,4.33765983582,4.03117799759,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(8,'O','[He] 2s^2 2p^4',-21.8136920929,-24.9135055542,-7.41099786758,-10.3711633682,0.0,0.0,0.0,0.0,3.09981393814,2.9601650238,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(9,'F','[He] 2s^2 2p^5',-28.684135437,-30.3153495789,-10.4478435516,-12.0315752029,0.0,0.0,0.0,0.0,1.63121497631,1.58373105526,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(10,'Ne','[He] 2s^2 2p^6',-35.9954833984,-35.9954833984,-13.5522022247,-13.5522022247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(11,'Na','[Ne] 3s^1',-2.21879005432,-3.0804669857,0.0,0.0,0.0,0.0,0.0,0.0,0.861675977707,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(12,'Mg','[Ne] 3s^2',-4.77361392975,-4.77361392975,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(13,'Al','[Ne] 3s^2 3p^1',-7.39970493317,-8.06213855743,-2.41754198074,-3.02718710899,0.0,0.0,0.0,0.0,0.662433981895,0.609643995762,0.0,0.0);
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|
INSERT INTO "lsd_data" VALUES(14,'Si','[Ne] 3s^2 3p^2',-9.83958816528,-11.3410043716,-3.29029393196,-4.63184309006,0.0,0.0,0.0,0.0,1.50141596794,1.34154903889,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(15,'P','[Ne] 3s^2 3p^3',-12.2498102188,-14.7022380829,-4.12233686447,-6.2961192131,0.0,0.0,0.0,0.0,2.4524269104,2.17378306389,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(16,'S','[Ne] 3s^2 3p^4',-16.1379108429,-17.8551940918,-6.21195411682,-7.73644590378,0.0,0.0,0.0,0.0,1.71728396416,1.52449095249,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(17,'Cl','[Ne] 3s^2 3p^5',-20.0472106934,-20.9383296967,-8.28943634033,-9.08311080933,0.0,0.0,0.0,0.0,0.891119003296,0.793675005436,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(18,'Ar','[Ne] 3s^2 3p^6',-24.0381145477,-24.0381145477,-10.4037351608,-10.4037351608,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(19,'K','[Ar] 4s^1',-2.02398395538,-2.61776399612,0.0,0.0,0.0,0.0,0.0,0.0,0.593779981136,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(20,'Ca','[Ar] 4s^2',-3.84799098969,-3.84799098969,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(21,'Sc','[Ar] 3d^1 4s^2',-4.1057100296,-4.38000106812,0.0,0.0,-3.19108104706,-3.84053492546,0.0,0.0,0.274291008711,0.0,0.649453997612,0.0);
|
|
INSERT INTO "lsd_data" VALUES(22,'Ti','[Ar] 3d^2 4s^2',-4.26193094254,-4.75584506989,0.0,0.0,-3.74589395523,-5.17106389999,0.0,0.0,0.493914008141,0.0,1.42516994476,0.0);
|
|
INSERT INTO "lsd_data" VALUES(23,'V','[Ar] 3d^3 4s^2',-4.3844370842,-5.06894016266,0.0,0.0,-4.09229516983,-6.38003921509,0.0,0.0,0.684503018856,0.0,2.28774404526,0.0);
|
|
INSERT INTO "lsd_data" VALUES(24,'Cr','[Ar] 3d^5 4s^1',-2.56189894676,-4.53230381012,0.0,0.0,-0.307924002409,-3.98274207115,0.0,0.0,1.97040498257,0.0,3.67481803894,0.0);
|
|
INSERT INTO "lsd_data" VALUES(25,'Mn','[Ar] 3d^5 4s^2',-4.5876789093,-5.60451412201,0.0,0.0,-4.3716468811,-8.58021736145,0.0,0.0,1.01683604717,0.0,4.20857000351,0.0);
|
|
INSERT INTO "lsd_data" VALUES(26,'Fe','[Ar] 3d^6 4s^2',-4.96915483475,-5.71406698227,0.0,0.0,-5.82084512711,-9.35538768768,0.0,0.0,0.744912028313,0.0,3.53454303741,0.0);
|
|
INSERT INTO "lsd_data" VALUES(27,'Co','[Ar] 3d^7 4s^2',-5.28586912155,-5.80631399155,0.0,0.0,-7.16838121414,-9.92454242706,0.0,0.0,0.520444989204,0.0,2.7561609745,0.0);
|
|
INSERT INTO "lsd_data" VALUES(28,'Ni','[Ar] 3d^8 4s^2',-5.56535720825,-5.89268302917,0.0,0.0,-8.44614601135,-10.3455018997,0.0,0.0,0.327325999737,0.0,1.89935600758,0.0);
|
|
INSERT INTO "lsd_data" VALUES(29,'Cu','[Ar] 3d^10 4s^1',-4.18797111511,-5.00725078583,0.0,0.0,-5.36361217499,-5.50960111618,0.0,0.0,0.819280982018,0.0,0.145989000797,0.0);
|
|
INSERT INTO "lsd_data" VALUES(30,'Zn','[Ar] 3d^10 4s^2',-6.06065893173,-6.06065893173,0.0,0.0,-10.8558254242,-10.8558254242,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(31,'Ga','[Ar] 3d^10 4s^2 4p^1',-8.56250190735,-9.1530714035,-2.4025220871,-2.99869608879,-19.9347457886,-20.0011959076,0.0,0.0,0.590569019318,0.596175014973,0.0664499998093,0.0);
|
|
INSERT INTO "lsd_data" VALUES(32,'Ge','[Ar] 3d^10 4s^2 4p^2',-10.7624616623,-12.0428676605,-3.27875590324,-4.50936412811,-30.1303119659,-30.2976341248,0.0,0.0,1.28040504456,1.23060798645,0.167322993279,0.0);
|
|
INSERT INTO "lsd_data" VALUES(33,'As','[Ar] 3d^10 4s^2 4p^3',-12.8657951355,-14.8904323578,-4.09041786194,-5.99551486969,-41.4961891174,-41.7899093628,0.0,0.0,2.02463698387,1.90509700775,0.293720006943,0.0);
|
|
INSERT INTO "lsd_data" VALUES(34,'Se','[Ar] 3d^10 4s^2 4p^4',-16.0815029144,-17.4628334045,-5.92803096771,-7.21396017075,-54.5032081604,-54.7263145447,0.0,0.0,1.38133203983,1.28592896461,0.223105996847,0.0);
|
|
INSERT INTO "lsd_data" VALUES(35,'Br','[Ar] 3d^10 4s^2 4p^5',-19.2149219513,-19.9169483185,-7.68743801117,-8.33602237701,-68.5435562134,-68.6673126221,0.0,0.0,0.702027022839,0.648584008217,0.123756997287,0.0);
|
|
INSERT INTO "lsd_data" VALUES(36,'Kr','[Ar] 3d^10 4s^2 4p^6',-22.3289661407,-22.3289661407,-9.42439556122,-9.42439556122,-83.6508102417,-83.6508102417,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(37,'Rb','[Kr] 5s^1',-1.98371100426,-2.5068230629,0.0,0.0,0.0,0.0,0.0,0.0,0.523111999035,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(38,'Sr','[Kr] 5s^2',-3.58627200127,-3.58627200127,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(39,'Y','[Kr] 4d^1 5s^2',-3.92363905907,-4.24293804169,0.0,0.0,-2.67733001709,-3.17170596123,0.0,0.0,0.319299012423,0.0,0.494376987219,0.0);
|
|
INSERT INTO "lsd_data" VALUES(40,'Zr','[Kr] 4d^2 5s^2',-4.08859395981,-4.66182994843,0.0,0.0,-3.4683380127,-4.53088903427,0.0,0.0,0.573234975338,0.0,1.06255102158,0.0);
|
|
INSERT INTO "lsd_data" VALUES(41,'Nb','[Kr] 4d^4 5s^1',-2.66176509857,-4.37703514099,0.0,0.0,-1.69880795479,-4.02105617523,0.0,0.0,1.71527099609,0.0,2.32224798203,0.0);
|
|
INSERT INTO "lsd_data" VALUES(42,'Mo','[Kr] 4d^5 5s^1',-2.60554599762,-4.50549983978,0.0,0.0,-1.99671804905,-4.9208278656,0.0,0.0,1.89995396137,0.0,2.92410993576,0.0);
|
|
INSERT INTO "lsd_data" VALUES(43,'Tc','[Kr] 4d^5 5s^2',-4.33649015427,-5.45591306686,0.0,0.0,-5.44298696518,-8.43869113922,0.0,0.0,1.11942303181,0.0,2.99570298195,0.0);
|
|
INSERT INTO "lsd_data" VALUES(44,'Ru','[Kr] 4d^7 5s^1',-3.3640089035,-4.5916519165,0.0,0.0,-4.5087928772,-6.40809392929,0.0,0.0,1.22764205933,0.0,1.89930105209,0.0);
|
|
INSERT INTO "lsd_data" VALUES(45,'Rh','[Kr] 4d^8 5s^1',-3.57614898682,-4.58533906937,0.0,0.0,-5.68563222885,-7.03055477142,0.0,0.0,1.00918900967,0.0,1.34492301941,0.0);
|
|
INSERT INTO "lsd_data" VALUES(46,'Pd','[Kr] 4d^10',0.0,0.0,0.0,0.0,-4.37480401993,-4.37480401993,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(47,'Ag','[Kr] 4d^10 5s^1',-3.88622307777,-4.55423593521,0.0,0.0,-8.00028800964,-8.16238594055,0.0,0.0,0.668012976646,0.0,0.162098005414,0.0);
|
|
INSERT INTO "lsd_data" VALUES(48,'Cd','[Kr] 4d^10 5s^2',-5.55733013153,-5.55733013153,0.0,0.0,-12.8037796021,-12.8037796021,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(49,'In','[Kr] 4d^10 5s^2 5p^1',-7.60653877258,-8.10170459747,-2.45993804932,-2.97785210609,-19.7949333191,-19.8675327301,0.0,0.0,0.495166003704,0.517915010452,0.0725999996066,0.0);
|
|
INSERT INTO "lsd_data" VALUES(50,'Sn','[Kr] 4d^10 5s^2 5p^2',-9.38151073456,-10.4190816879,-3.26955890656,-4.30750989914,-27.1271266937,-27.2984752655,0.0,0.0,1.03757095337,1.03795194626,0.171350002289,0.0);
|
|
INSERT INTO "lsd_data" VALUES(51,'Sb','[Kr] 4d^10 5s^2 5p^3',-11.0514202118,-12.6570825577,-4.01308298111,-5.58538484573,-34.9233016968,-35.2113609314,0.0,0.0,1.60566294193,1.57230198383,0.28806000948,0.0);
|
|
INSERT INTO "lsd_data" VALUES(52,'Te','[Kr] 4d^10 5s^2 5p^4',-13.5409374237,-14.6196241379,-5.55460882187,-6.59849214554,-43.579246521,-43.7895622253,0.0,0.0,1.07868695259,1.04388403893,0.210317000747,0.0);
|
|
INSERT INTO "lsd_data" VALUES(53,'I','[Kr] 4d^10 5s^2 5p^5',-15.9358386993,-16.4778900146,-7.0117521286,-7.53108119965,-52.6669044495,-52.7800750732,0.0,0.0,0.542051017284,0.519330024719,0.113172002137,0.0);
|
|
INSERT INTO "lsd_data" VALUES(54,'Xe','[Kr] 4d^10 5s^2 5p^6',-18.28840065,-18.28840065,-8.43104362488,-8.43104362488,-62.2233848572,-62.2233848572,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(55,'Cs','[Xe] 6s^1',-1.85930097103,-2.30085992813,0.0,0.0,0.0,0.0,0.0,0.0,0.441558986902,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(56,'Ba','[Xe] 6s^2',-3.23725891113,-3.23725891113,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(57,'La','[Xe] 5d^1 6s^2',-3.46216106415,-3.71408390999,0.0,0.0,-3.59655809402,-4.04013109207,0.0,0.0,0.251922994852,0.0,0.443572998047,0.0);
|
|
INSERT INTO "lsd_data" VALUES(58,'Ce','[Xe] 4f^1 5d^1 6s^2',-3.48648810387,-3.77544593811,0.0,0.0,-3.50232505798,-4.07721996307,-8.71951198578,-9.52858924866,0.288958013058,0.0,0.5748950243,0.80907702446);
|
|
INSERT INTO "lsd_data" VALUES(59,'Pr','[Xe] 4f^3 6s^2',-3.32542395592,-3.43592905998,0.0,0.0,0.0,0.0,-3.07741904259,-4.93767213821,0.110504999757,0.0,0.0,1.86025297642);
|
|
INSERT INTO "lsd_data" VALUES(60,'Nd','[Xe] 4f^4 6s^2',-3.3477640152,-3.48243308067,0.0,0.0,0.0,0.0,-3.26256489754,-5.8286819458,0.134669005871,0.0,0.0,2.56611704826);
|
|
INSERT INTO "lsd_data" VALUES(61,'Pm','[Xe] 4f^5 6s^2',-3.36942410469,-3.52591705322,0.0,0.0,0.0,0.0,-3.31339597702,-6.61204385757,0.156492993236,0.0,0.0,3.29864811897);
|
|
INSERT INTO "lsd_data" VALUES(62,'Sm','[Xe] 4f^6 6s^2',-3.39062190056,-3.56727790833,0.0,0.0,0.0,0.0,-3.25206208229,-7.30571699142,0.176655992866,0.0,0.0,4.05365514755);
|
|
INSERT INTO "lsd_data" VALUES(63,'Eu','[Xe] 4f^7 6s^2',-3.41143894196,-3.60700702667,0.0,0.0,0.0,0.0,-3.09404492378,-7.92224502563,0.19556799531,0.0,0.0,4.82819986343);
|
|
INSERT INTO "lsd_data" VALUES(64,'Gd','[Xe] 4f^7 5d^1 6s^2',-3.63538908958,-4.09602308273,0.0,0.0,-2.77934503555,-3.90807390213,-9.71781730652,-15.1763153076,0.460635006428,0.0,1.12872898579,5.4584980011);
|
|
INSERT INTO "lsd_data" VALUES(65,'Tb','[Xe] 4f^9 6s^2',-3.51995801926,-3.64001488686,0.0,0.0,0.0,0.0,-4.81720685959,-8.42584705353,0.12005700171,0.0,0.0,3.60863995552);
|
|
INSERT INTO "lsd_data" VALUES(66,'Dy','[Xe] 4f^10 6s^2',-3.56613588333,-3.65664100647,0.0,0.0,0.0,0.0,-5.53866291046,-8.47798442841,0.0905049964786,0.0,0.0,2.93932104111);
|
|
INSERT INTO "lsd_data" VALUES(67,'Ho','[Xe] 4f^11 6s^2',-3.60931992531,-3.67370200157,0.0,0.0,0.0,0.0,-6.18828105927,-8.42840480804,0.0643820017576,0.0,0.0,2.2401239872);
|
|
INSERT INTO "lsd_data" VALUES(68,'Er','[Xe] 4f^12 6s^2',-3.65030002594,-3.69122600555,0.0,0.0,0.0,0.0,-6.77591085434,-8.29123210907,0.0409259982407,0.0,0.0,1.51532101631);
|
|
INSERT INTO "lsd_data" VALUES(69,'Tm','[Xe] 4f^13 6s^2',-3.68964791298,-3.70921301842,0.0,0.0,0.0,0.0,-7.30903577805,-8.07688808441,0.0195649992675,0.0,0.0,0.767850995064);
|
|
INSERT INTO "lsd_data" VALUES(70,'Yb','[Xe] 4f^14 6s^2',-3.72766208649,-3.72766208649,0.0,0.0,0.0,0.0,-7.7935628891,-7.7935628891,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(71,'Lu','[Xe] 4f^14 5d^1 6s^2',-4.03341007233,-4.36987876892,0.0,0.0,-2.55044293404,-3.02909088135,-15.3839378357,-15.4542789459,0.336468994617,0.0,0.478648990393,0.0703409984708);
|
|
INSERT INTO "lsd_data" VALUES(72,'Hf','[Xe] 4f^14 5d^2 6s^2',-4.17926311493,-4.78686618805,0.0,0.0,-3.31554603577,-4.32511615753,-23.5275211334,-23.6885585785,0.607603013515,0.0,1.00957000256,0.161036998034);
|
|
INSERT INTO "lsd_data" VALUES(73,'Ta','[Xe] 4f^14 5d^3 6s^2',-4.26908779144,-5.10151195526,0.0,0.0,-4.01330089569,-5.57896280289,-32.3138923645,-32.5788192749,0.832423985004,0.0,1.56566202641,0.264930009842);
|
|
INSERT INTO "lsd_data" VALUES(74,'W','[Xe] 4f^14 5d^4 6s^2',-4.33205509186,-5.35569286346,0.0,0.0,-4.67736816406,-6.81583023071,-41.7318115234,-42.1114082336,1.02363801003,0.0,2.13846206665,0.379599004984);
|
|
INSERT INTO "lsd_data" VALUES(75,'Re','[Xe] 4f^14 5d^5 6s^2',-4.38000106812,-5.56968402863,0.0,0.0,-5.32244110107,-8.04720020294,-51.7570610046,-52.2610168457,1.18968200684,0.0,2.72475910187,0.503955006599);
|
|
INSERT INTO "lsd_data" VALUES(76,'Os','[Xe] 4f^14 5d^6 6s^2',-4.72256612778,-5.59518098831,0.0,0.0,-6.78372001648,-8.97532653809,-62.7424125671,-63.1699867249,0.872614979744,0.0,2.19160604477,0.427572995424);
|
|
INSERT INTO "lsd_data" VALUES(77,'Ir','[Xe] 4f^14 5d^7 6s^2',-4.99451589584,-5.6008682251,0.0,0.0,-8.1960735321,-9.84783267975,-74.2423553467,-74.5795898438,0.606351971626,0.0,1.65175902843,0.337231010199);
|
|
INSERT INTO "lsd_data" VALUES(78,'Pt','[Xe] 4f^14 5d^9 6s^1',-3.91449594498,-4.7045249939,0.0,0.0,-7.01651382446,-7.72537088394,-82.539932251,-82.6585998535,0.790028989315,0.0,0.708856999874,0.118669003248);
|
|
INSERT INTO "lsd_data" VALUES(79,'Au','[Xe] 4f^14 5d^10 6s^1',-4.05803585052,-4.67195177078,0.0,0.0,-8.16703891754,-8.34225273132,-94.8371200562,-94.8449249268,0.613915979862,0.0,0.175213992596,0.00780999986455);
|
|
INSERT INTO "lsd_data" VALUES(80,'Hg','[Xe] 4f^14 5d^10 6s^2',-5.58206510544,-5.58206510544,0.0,0.0,-12.314573288,-12.314573288,-111.84677124,-111.84677124,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(81,'Tl','[Xe] 4f^14 5d^10 6s^2 6p^1',-7.48411512375,-7.93865394592,-2.47234606743,-2.96057295799,-18.2774353027,-18.3540897369,-131.542770386,-131.550552368,0.454539000988,0.488227009773,0.0766550004482,0.007782000117);
|
|
INSERT INTO "lsd_data" VALUES(82,'Pb','[Xe] 4f^14 5d^10 6s^2 6p^2',-9.11970996857,-10.0580949783,-3.25124502182,-4.21439313889,-24.3539848328,-24.5292263031,-152.050445557,-152.074005127,0.938385009766,0.963147997856,0.1752409935,0.0235649999231);
|
|
INSERT INTO "lsd_data" VALUES(83,'Bi','[Xe] 4f^14 5d^10 6s^2 6p^3',-10.642950058,-12.0797119141,-3.96042895317,-5.40200710297,-30.6616420746,-30.9494838715,-173.45123291,-173.497817993,1.43676197529,1.44157803059,0.287842005491,0.0465859994292);
|
|
INSERT INTO "lsd_data" VALUES(84,'Po','[Xe] 4f^14 5d^10 6s^2 6p^4',-12.8676176071,-13.8249969482,-5.3762922287,-6.3245549202,-37.5555152893,-37.7610702515,-196.00668335,-196.045181274,0.957378983498,0.948262989521,0.205555006862,0.0385040007532);
|
|
INSERT INTO "lsd_data" VALUES(85,'At','[Xe] 4f^14 5d^10 6s^2 6p^5',-14.9871959686,-15.4649734497,-6.70107889175,-7.16884279251,-44.6603012085,-44.7689285278,-219.392044067,-219.414794922,0.477777987719,0.467763990164,0.108627997339,0.0227489992976);
|
|
INSERT INTO "lsd_data" VALUES(86,'Rn','[Xe] 4f^14 5d^10 6s^2 6p^6',-17.0498466492,-17.0498466492,-7.9778380394,-7.9778380394,-52.0099372864,-52.0099372864,-243.632324219,-243.632324219,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(87,'Fr','[Rn] 7s^1',-1.81412994862,-2.22246408463,0.0,0.0,0.0,0.0,0.0,0.0,0.408333986998,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(88,'Ra','[Rn] 7s^2',-3.09480690956,-3.09480690956,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
|
|
INSERT INTO "lsd_data" VALUES(89,'Ac','[Rn] 6d^1 7s^2',-3.31301498413,-3.55508804321,0.0,0.0,-3.52910089493,-3.93370699883,0.0,0.0,0.242072999477,0.0,0.40460601449,0.0);
|
|
INSERT INTO "lsd_data" VALUES(90,'Th','[Rn] 6d^2 7s^2',-3.44999694824,-3.8928360939,0.0,0.0,-4.23401212692,-5.06126594543,0.0,0.0,0.442838013172,0.0,0.827253997326,0.0);
|
|
INSERT INTO "lsd_data" VALUES(91,'Pa','[Rn] 5f^2 6d^1 7s^2',-3.3474919796,-3.67013788223,0.0,0.0,-3.47367095947,-4.18247413635,-7.91644906998,-9.13347911835,0.322645992041,0.0,0.708802998066,1.21703004837);
|
|
INSERT INTO "lsd_data" VALUES(92,'U','[Rn] 5f^3 6d^1 7s^2',-3.36341094971,-3.71634292603,0.0,0.0,-3.41660904884,-4.24772691727,-8.92389678955,-10.7035226822,0.352932006121,0.0,0.831117987633,1.77962601185);
|
|
CREATE TABLE source_notes (
|
|
property character varying(18),
|
|
notes character varying(99),
|
|
units character varying(13),
|
|
source character varying(73)
|
|
);
|
|
INSERT INTO "source_notes" VALUES('Config','Valence electron configuration','n/a','NIST database');
|
|
INSERT INTO "source_notes" VALUES('eXup/down','Valence orbital energies','eV','NIST database');
|
|
INSERT INTO "source_notes" VALUES('deX','Valence orbital exchange splitting (from eXup/down)','eV','NIST database');
|
|
INSERT INTO "source_notes" VALUES('atomic_rad','Atomic radius','A','-');
|
|
INSERT INTO "source_notes" VALUES('covalent_rad','Covalent radius','A','-');
|
|
INSERT INTO "source_notes" VALUES('slater_atomic_rad','Slater atomic radius','A','-');
|
|
INSERT INTO "source_notes" VALUES('a_r_electroneg','Allred-Rochow Electronegativity','n/a','-');
|
|
INSERT INTO "source_notes" VALUES('pauling_electroneg','Pauling electronegativity','n/a','-');
|
|
INSERT INTO "source_notes" VALUES('atomic_mass','Average atomic mass','au','-');
|
|
INSERT INTO "source_notes" VALUES('first_ip','First Ionization potential','eV','CRC');
|
|
INSERT INTO "source_notes" VALUES('electron_affinity','Electron Affinity','eV','CRC');
|
|
INSERT INTO "source_notes" VALUES('pearson_electroneg','Pearsons electronegativity','eV','Calculated from first_IP and electron_affinity');
|
|
INSERT INTO "source_notes" VALUES('pearson_hardness','Pearsons hardness','eV','Calculated from first_IP and electron_affinity');
|
|
INSERT INTO "source_notes" VALUES('polarizability','Atomic Polarizability','10^(-24) cm3','CRC');
|
|
INSERT INTO "source_notes" VALUES('mendeleev_number','Mendeleev Number (alternate numbering for the Periodic Table)',NULL,'Sutton: "Electronic Structure of Materials"');
|
|
INSERT INTO "source_notes" VALUES('Miedema_phi','Miedemas phi (electronegativity)','eV','Miedema: "Cohesion in Metals"');
|
|
INSERT INTO "source_notes" VALUES('Miedema_n','Miedemas n_ws(1/3) (electron density at the edge of the atom)','density^(1/3)','Miedema: "Cohesion in Metals"');
|
|
INSERT INTO "source_notes" VALUES('Miedema_v','Miedemas V(2/3)','cm^(2)','Miedema: "Cohesion in Metals"');
|
|
INSERT INTO "source_notes" VALUES('Metaltype','0: nonmetal; 1: alkali/alkali earth; 3: semi-metal; 4: transition metal; 5: rare-earth; 6: actinide',NULL,'Periodic Table ');
|
|
INSERT INTO "source_notes" VALUES('M_B_electroneg','Matynov-Batsanov electronegativity','eV^(1/2)','K.M. Rabe, J.C. Phillips, P. Villars, I.D. Brown PRB 45, 7650-7676 (1992)');
|
|
INSERT INTO "source_notes" VALUES('pp_core_radii_sum','r_s + r_p','au','K.M. Rabe, J.C. Phillips, P. Villars, I.D. Brown PRB 45, 7650-7676 (1992)');
|
|
INSERT INTO "source_notes" VALUES('DH298','Heat of Formation','kJ/mol','CamSoft Table');
|
|
INSERT INTO "source_notes" VALUES('mp','melting point of the element','deg C','CamSoft Table');
|
|
INSERT INTO "source_notes" VALUES('bp','boiling point of the element','deg C','CamSoft Table');
|
|
INSERT INTO "source_notes" VALUES('density','density of the element','g cm^(-3)','CamSoft Table');
|
|
INSERT INTO "source_notes" VALUES('r_metallic','metallic radius','A','CamSoft Table');
|
|
INSERT INTO "source_notes" VALUES('Config','Valence electron configuration','n/a','NIST database');
|
|
INSERT INTO "source_notes" VALUES('eXup/down','Valence orbital energies','eV','NIST database');
|
|
INSERT INTO "source_notes" VALUES('deX','Valence orbital exchange splitting (from eXup/down)','eV','NIST database');
|
|
INSERT INTO "source_notes" VALUES('atomic_rad','Atomic radius','A','-');
|
|
INSERT INTO "source_notes" VALUES('covalent_rad','Covalent radius','A','-');
|
|
INSERT INTO "source_notes" VALUES('slater_atomic_rad','Slater atomic radius','A','-');
|
|
INSERT INTO "source_notes" VALUES('a_r_electroneg','Allred-Rochow Electronegativity','n/a','-');
|
|
INSERT INTO "source_notes" VALUES('pauling_electroneg','Pauling electronegativity','n/a','-');
|
|
INSERT INTO "source_notes" VALUES('atomic_mass','Average atomic mass','au','-');
|
|
INSERT INTO "source_notes" VALUES('first_ip','First Ionization potential','eV','CRC');
|
|
INSERT INTO "source_notes" VALUES('electron_affinity','Electron Affinity','eV','CRC');
|
|
INSERT INTO "source_notes" VALUES('pearson_electroneg','Pearsons electronegativity','eV','Calculated from first_IP and electron_affinity');
|
|
INSERT INTO "source_notes" VALUES('pearson_hardness','Pearsons hardness','eV','Calculated from first_IP and electron_affinity');
|
|
INSERT INTO "source_notes" VALUES('polarizability','Atomic Polarizability','10^(-24) cm3','CRC');
|
|
INSERT INTO "source_notes" VALUES('mendeleev_number','Mendeleev Number (alternate numbering for the Periodic Table)',NULL,'Sutton: "Electronic Structure of Materials"');
|
|
INSERT INTO "source_notes" VALUES('Miedema_phi','Miedemas phi (electronegativity)','eV','Miedema: "Cohesion in Metals"');
|
|
INSERT INTO "source_notes" VALUES('Miedema_n','Miedemas n_ws(1/3) (electron density at the edge of the atom)','density^(1/3)','Miedema: "Cohesion in Metals"');
|
|
INSERT INTO "source_notes" VALUES('Miedema_v','Miedemas V(2/3)','cm^(2)','Miedema: "Cohesion in Metals"');
|
|
INSERT INTO "source_notes" VALUES('Metaltype','0: nonmetal; 1: alkali/alkali earth; 3: semi-metal; 4: transition metal; 5: rare-earth; 6: actinide',NULL,'Periodic Table ');
|
|
INSERT INTO "source_notes" VALUES('M_B_electroneg','Matynov-Batsanov electronegativity','eV^(1/2)','K.M. Rabe, J.C. Phillips, P. Villars, I.D. Brown PRB 45, 7650-7676 (1992)');
|
|
INSERT INTO "source_notes" VALUES('pp_core_radii_sum','r_s + r_p','au','K.M. Rabe, J.C. Phillips, P. Villars, I.D. Brown PRB 45, 7650-7676 (1992)');
|
|
INSERT INTO "source_notes" VALUES('DH298','Heat of Formation','kJ/mol','CamSoft Table');
|
|
INSERT INTO "source_notes" VALUES('mp','melting point of the element','deg C','CamSoft Table');
|
|
INSERT INTO "source_notes" VALUES('bp','boiling point of the element','deg C','CamSoft Table');
|
|
INSERT INTO "source_notes" VALUES('density','density of the element','g cm^(-3)','CamSoft Table');
|
|
INSERT INTO "source_notes" VALUES('r_metallic','metallic radius','A','CamSoft Table');
|
|
COMMIT;
|