1-- 2-- PostgreSQL database dump 3-- 4 5\connect - sysdba 6 7SET search_path = public, pg_catalog; 8 9-- 10-- TOC entry 2 (OID 169224) 11-- Name: atomic_data; Type: TABLE; Schema: public; Owner: sysdba 12-- 13 14CREATE TABLE atomic_data ( 15 num integer, 16 name character varying(2), 17 config character varying(26), 18 esup double precision, 19 esdown double precision, 20 epup double precision, 21 epdown double precision, 22 edup double precision, 23 eddown double precision, 24 efup double precision, 25 efdown double precision, 26 des double precision, 27 dep double precision, 28 ded double precision, 29 def double precision, 30 atomic_rad double precision, 31 cov_rad double precision, 32 slater_atomic_rad double precision, 33 a_r_electroneg double precision, 34 pauling_electroneg double precision, 35 atomic_mass double precision, 36 first_ip double precision, 37 electron_affinity double precision, 38 pearson_electroneg double precision, 39 pearson_hardness double precision, 40 polarizability double precision, 41 mendeleev_number integer, 42 miedema_phi double precision, 43 miedema_n double precision, 44 miedema_v double precision, 45 metaltype integer, 46 m_b_electroneg double precision, 47 pp_core_radii_sum double precision, 48 dh298 integer, 49 mp integer, 50 bp integer, 51 density double precision, 52 r_metallic double precision 53); 54 55 56-- 57-- TOC entry 3 (OID 169318) 58-- Name: lsd_data; Type: TABLE; Schema: public; Owner: sysdba 59-- 60 61CREATE TABLE lsd_data ( 62 num integer, 63 name character varying(2), 64 config character varying(26), 65 esup double precision, 66 esdown double precision, 67 epup double precision, 68 epdown double precision, 69 edup double precision, 70 eddown double precision, 71 efup double precision, 72 efdown double precision, 73 des double precision, 74 dep double precision, 75 ded double precision, 76 def double precision 77); 78 79 80-- 81-- TOC entry 4 (OID 169458) 82-- Name: source_notes; Type: TABLE; Schema: public; Owner: sysdba 83-- 84 85CREATE TABLE source_notes ( 86 property character varying(18), 87 notes character varying(99), 88 units character varying(13), 89 source character varying(73) 90); 91 92 93-- 94-- Data for TOC entry 5 (OID 169224) 95-- Name: atomic_data; Type: TABLE DATA; Schema: public; Owner: sysdba 96-- 97 98COPY atomic_data (num, name, config, esup, esdown, epup, epdown, edup, eddown, efup, efdown, des, dep, ded, def, atomic_rad, cov_rad, slater_atomic_rad, a_r_electroneg, pauling_electroneg, atomic_mass, first_ip, electron_affinity, pearson_electroneg, pearson_hardness, polarizability, mendeleev_number, miedema_phi, miedema_n, miedema_v, metaltype, m_b_electroneg, pp_core_radii_sum, dh298, mp, bp, density, r_metallic) FROM stdin; 991 H 1s^1 -2.72590208054 -7.31918621063 0 0 0 0 0 0 4.5932841301 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 1002 He 1s^2 -15.5220632553 -15.5220632553 0 0 0 0 0 0 0 0 0 0 0 0.930000007153 0 0 0 4.00260210037 24.5874099731 0 0 0 0.204955995083 103 0 0 0 0 0 0 2379 -270 -269 0.15000000596 0 1013 Li [He] 2s^1 -2.09133195877 -3.16482210159 0 0 0 0 0 0 1.07349002361 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 1024 Be [He] 2s^2 -5.59858179092 -5.59858179092 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 5.59999990463 77 5.05000019073 1.66999995708 2.88000011444 1 1.45000004768 1.08000004292 906 1280 2480 1.85000002384 1.12000000477 1035 B [He] 2s^2 2p^1 -8.67020511627 -9.8081035614 -3.07989501953 -4.10492086411 0 0 0 0 1.13789904118 1.02502596378 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 1046 C [He] 2s^2 2p^2 -11.8387546539 -14.4567642212 -3.79013991356 -6.19214487076 0 0 0 0 2.61800909042 2.4020049572 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 1057 N [He] 2s^2 2p^3 -15.2752275467 -19.6128883362 -4.37300777435 -8.40418624878 0 0 0 0 4.33765983582 4.03117799759 0 0 0.920000016689 0.75 0.649999976158 3.06999993324 3.03999996185 14.0067396164 14.5341396332 0 0 0 1.10000002384 100 6.86000013351 7.65000009537 2.55999994278 0 2.84999990463 0.540000021458 1407 -210 -196 0.810000002384 0.730000019073 1068 O [He] 2s^2 2p^4 -21.8136920929 -24.9135055542 -7.41099786758 -10.3711633682 0 0 0 0 3.09981393814 2.9601650238 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 3.31999993324 0.465000003576 1320 -219 -183 1.14999997616 0.740000009537 1079 F [He] 2s^2 2p^5 -28.684135437 -30.3153495789 -10.4478435516 -12.0315752029 0 0 0 0 1.63121497631 1.58373105526 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 3.77999997139 0.405000001192 1687 -220 -188 1.50999999046 0.709999978542 10810 Ne [He] 2s^2 2p^6 -35.9954833984 -35.9954833984 -13.5522022247 -13.5522022247 0 0 0 0 0 0 0 0 0.509999990463 0.709999978542 0 0 0 20.1797008514 21.5645999908 0 0 0 0.395599991083 2 0 0 0 0 0 0 2087 -249 -246 1.20000004768 0 10911 Na [Ne] 3s^1 -2.21879005432 -3.0804669857 0 0 0 0 0 0 0.861675977707 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 11012 Mg [Ne] 3s^2 -4.77361392975 -4.77361392975 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 10.6000003815 73 3.45000004768 1.16999995708 5.80999994278 1 1.30999994278 2.02999997139 744 650 1110 1.74000000954 1.60000002384 11113 Al [Ne] 3s^2 3p^1 -7.39970493317 -8.06213855743 -2.41754198074 -3.02718710899 0 0 0 0 0.662433981895 0.609643995762 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 11214 Si [Ne] 3s^2 3p^2 -9.83958816528 -11.3410043716 -3.29029393196 -4.63184309006 0 0 0 0 1.50141596794 1.34154903889 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 11315 P [Ne] 3s^2 3p^3 -12.2498102188 -14.7022380829 -4.12233686447 -6.2961192131 0 0 0 0 2.4524269104 2.17378306389 0 0 1.27999997139 1.05999994278 1 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 11416 S [Ne] 3s^2 3p^4 -16.1379108429 -17.8551940918 -6.21195411682 -7.73644590378 0 0 0 0 1.71728396416 1.52449095249 0 0 1.26999998093 1.01999998093 1 2.44000005722 2.57999992371 32.0660018921 10.3600101471 2.07710409164 6.21855688095 4.14145278931 2.90000009537 94 0 0 0 0 2.65000009537 1.10000002384 1006 113 445 2.06999993324 1.01999998093 11517 Cl [Ne] 3s^2 3p^5 -20.0472106934 -20.9383296967 -8.28943634033 -9.08311080933 0 0 0 0 0.891119003296 0.793675005436 0 0 0.97000002861 0.990000009537 1 2.82999992371 3.16000008583 35.4527015686 12.9676399231 3.61268997192 8.29016494751 4.67747497559 2.18000006676 99 0 0 0 0 2.98000001907 1.00999999046 1257 -101 -35 1.55999994278 0.990000009537 11618 Ar [Ne] 3s^2 3p^6 -24.0381145477 -24.0381145477 -10.4037351608 -10.4037351608 0 0 0 0 0 0 0 0 0.879999995232 0.980000019073 0 3.20000004768 0 39.0983009338 15.7596197128 0 0 0 1.64110004902 3 0 0 0 0 0 0 1527 -189 -186 1.39999997616 0 11719 K [Ar] 4s^1 -2.02398395538 -2.61776399612 0 0 0 0 0 0 0.593779981136 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 11820 Ca [Ar] 4s^2 -3.84799098969 -3.84799098969 0 0 0 0 0 0 0 0 0 0 1.97000002861 1.74000000954 1.79999995232 1.03999996185 1 40.077999115 6.11316013336 0.0245500002056 3.06885504723 3.04430508614 22.7999992371 16 2.54999995232 0.910000026226 8.81999969482 1 1.16999995708 3 596 838 1490 1.54999995232 1.97000002861 11921 Sc [Ar] 3d^1 4s^2 -4.1057100296 -4.38000106812 0 0 -3.19108104706 -3.84053492546 0 0 0.274291008711 0 0.649453997612 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 1.61000001431 12022 Ti [Ar] 3d^2 4s^2 -4.26193094254 -4.75584506989 0 0 -3.74589395523 -5.17106389999 0 0 0.493914008141 0 1.42516994476 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 12123 V [Ar] 3d^3 4s^2 -4.3844370842 -5.06894016266 0 0 -4.09229516983 -6.38003921509 0 0 0.684503018856 0 2.28774404526 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 12224 Cr [Ar] 3d^5 4s^1 -2.56189894676 -4.53230381012 0 0 -0.307924002409 -3.98274207115 0 0 1.97040498257 0 3.67481803894 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 2.44000005722 659 1900 2642 7.78999996185 1.25 12325 Mn [Ar] 3d^5 4s^2 -4.5876789093 -5.60451412201 0 0 -4.3716468811 -8.58021736145 0 0 1.01683604717 0 4.20857000351 0 1.35000002384 1.16999995708 1.39999997616 1.60000002384 1.54999995232 54.9380493164 7.43402004242 0 0 0 9.39999961853 60 4.44999980927 1.66999995708 3.77999997139 3 2.03999996185 2.22000002861 724 1250 2110 7.42999982834 1.37000000477 12426 Fe [Ar] 3d^6 4s^2 -4.96915483475 -5.71406698227 0 0 -5.82084512711 -9.35538768768 0 0 0.744912028313 0 3.53454303741 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 12527 Co [Ar] 3d^7 4s^2 -5.28586912155 -5.80631399155 0 0 -7.16838121414 -9.92454242706 0 0 0.520444989204 0 2.7561609745 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 12628 Ni [Ar] 3d^8 4s^2 -5.56535720825 -5.89268302917 0 0 -8.44614601135 -10.3455018997 0 0 0.327325999737 0 1.89935600758 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 12729 Cu [Ar] 3d^10 4s^1 -4.18797111511 -5.00725078583 0 0 -5.36361217499 -5.50960111618 0 0 0.819280982018 0 0.145989000797 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 12830 Zn [Ar] 3d^10 4s^2 -6.06065893173 -6.06065893173 0 0 -10.8558254242 -10.8558254242 0 0 0 0 0 0 1.37999999523 1.25 1.35000002384 1.65999996662 1.64999997616 65.3899993896 9.39420032501 0 0 0 7.09999990463 76 4.09999990463 1.32000005245 4.38000011444 3 1.39999997616 1.87999999523 913 419 906 7.13999986649 1.33000004292 12931 Ga [Ar] 3d^10 4s^2 4p^1 -8.56250190735 -9.1530714035 -2.4025220871 -2.99869608879 -19.9347457886 -20.0011959076 0 0 0.590569019318 0.596175014973 0.0664499998093 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 13032 Ge [Ar] 3d^10 4s^2 4p^2 -10.7624616623 -12.0428676605 -3.27875590324 -4.50936412811 -30.1303119659 -30.2976341248 0 0 1.28040504456 1.23060798645 0.167322993279 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 13133 As [Ar] 3d^10 4s^2 4p^3 -12.8657951355 -14.8904323578 -4.09041786194 -5.99551486969 -41.4961891174 -41.7899093628 0 0 2.02463698387 1.90509700775 0.293720006943 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 13234 Se [Ar] 3d^10 4s^2 4p^4 -16.0815029144 -17.4628334045 -5.92803096771 -7.21396017075 -54.5032081604 -54.7263145447 0 0 1.38133203983 1.28592896461 0.223105996847 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 2.53999996185 1.28499996662 947 217 685 4.80000019073 1.15999996662 13335 Br [Ar] 3d^10 4s^2 4p^5 -19.2149219513 -19.9169483185 -7.68743801117 -8.33602237701 -68.5435562134 -68.6673126221 0 0 0.702027022839 0.648584008217 0.123756997287 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 2.82999992371 1.20000004768 1146 -7 58 3.11999988556 1.13999998569 13436 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 1.02999997139 1.88999998569 0 2.94000005722 0 83.8000030518 13.9996099472 0 0 0 2.48440003395 4 0 0 0 0 0 0 1357 -157 -152 2.16000008583 0 13537 Rb [Kr] 5s^1 -1.98371100426 -2.5068230629 0 0 0 0 0 0 0.523111999035 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 13638 Sr [Kr] 5s^2 -3.58627200127 -3.58627200127 0 0 0 0 0 0 0 0 0 0 2.15000009537 1.90999996662 2 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 13739 Y [Kr] 4d^1 5s^2 -3.92363905907 -4.24293804169 0 0 -2.67733001709 -3.17170596123 0 0 0.319299012423 0 0.494376987219 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 13840 Zr [Kr] 4d^2 5s^2 -4.08859395981 -4.66182994843 0 0 -3.4683380127 -4.53088903427 0 0 0.573234975338 0 1.06255102158 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 13941 Nb [Kr] 4d^4 5s^1 -2.66176509857 -4.37703514099 0 0 -1.69880795479 -4.02105617523 0 0 1.71527099609 0 2.32224798203 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 14042 Mo [Kr] 4d^5 5s^1 -2.60554599762 -4.50549983978 0 0 -1.99671804905 -4.9208278656 0 0 1.89995396137 0 2.92410993576 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 14143 Tc [Kr] 4d^5 5s^2 -4.33649015427 -5.45591306686 0 0 -5.44298696518 -8.43869113922 0 0 1.11942303181 0 2.99570298195 0 1.36000001431 1.26999998093 1.35000002384 1.36000001431 1.89999997616 98 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 14244 Ru [Kr] 4d^7 5s^1 -3.3640089035 -4.5916519165 0 0 -4.5087928772 -6.40809392929 0 0 1.22764205933 0 1.89930105209 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 14345 Rh [Kr] 4d^8 5s^1 -3.57614898682 -4.58533906937 0 0 -5.68563222885 -7.03055477142 0 0 1.00918900967 0 1.34492301941 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 14446 Pd [Kr] 4d^10 0 0 0 0 -4.37480401993 -4.37480401993 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 1.37999999523 14547 Ag [Kr] 4d^10 5s^1 -3.88622307777 -4.55423593521 0 0 -8.00028800964 -8.16238594055 0 0 0.668012976646 0 0.162098005414 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 14648 Cd [Kr] 4d^10 5s^2 -5.55733013153 -5.55733013153 0 0 -12.8037796021 -12.8037796021 0 0 0 0 0 0 1.71000003815 1.40999996662 1.54999995232 1.46000003815 1.69000005722 112.411003113 8.99380016327 0 0 0 7.19999980927 75 4.05000019073 1.24000000954 5.53000020981 3 1.39999997616 2.21499991417 874 321 765 8.64999961853 1.49000000954 14749 In [Kr] 4d^10 5s^2 5p^1 -7.60653877258 -8.10170459747 -2.45993804932 -2.97785210609 -19.7949333191 -19.8675327301 0 0 0.495166003704 0.517915010452 0.0725999996066 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 14850 Sn [Kr] 4d^10 5s^2 5p^2 -9.38151073456 -10.4190816879 -3.26955890656 -4.30750989914 -27.1271266937 -27.2984752655 0 0 1.03757095337 1.03795194626 0.171350002289 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 14951 Sb [Kr] 4d^10 5s^2 5p^3 -11.0514202118 -12.6570825577 -4.01308298111 -5.58538484573 -34.9233016968 -35.2113609314 0 0 1.60566294193 1.57230198383 0.28806000948 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 15052 Te [Kr] 4d^10 5s^2 5p^4 -13.5409374237 -14.6196241379 -5.55460882187 -6.59849214554 -43.579246521 -43.7895622253 0 0 1.07868695259 1.04388403893 0.210317000747 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 2.38000011444 1.66999995708 876 450 1390 6.23999977112 1.42999994755 15153 I [Kr] 4d^10 5s^2 5p^5 -15.9358386993 -16.4778900146 -7.0117521286 -7.53108119965 -52.6669044495 -52.7800750732 0 0 0.542051017284 0.519330024719 0.113172002137 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 2.75999999046 1.58500003815 1015 114 183 4.94000005722 1.33000004292 15254 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 1.24000000954 1.30999994278 0 2.40000009537 0 131.289993286 12.1297998428 0 0 0 4.04400014877 5 0 0 0 0 0 0 1177 -112 -108 3.5 0 15355 Cs [Xe] 6s^1 -1.85930097103 -2.30085992813 0 0 0 0 0 0 0.441558986902 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 15456 Ba [Xe] 6s^2 -3.23725891113 -3.23725891113 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 15557 La [Xe] 5d^1 6s^2 -3.46216106415 -3.71408390999 0 0 -3.59655809402 -4.04013109207 0 0 0.251922994852 0 0.443572998047 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 15658 Ce [Xe] 4f^1 5d^1 6s^2 -3.48648810387 -3.77544593811 0 0 -3.50232505798 -4.07721996307 -8.71951198578 -9.52858924866 0.288958013058 0 0.5748950243 0.80907702446 1.80999994278 1.64999997616 1.85000002384 1.08000004292 1.12000000477 140.115005493 5.53870010376 0 0 0 29.6000003815 32 3.18000006676 1.19000005722 7.76000022888 4 1.10000002384 4.5 534 795 3470 6.78000020981 1.83000004292 15759 Pr [Xe] 4f^3 6s^2 -3.32542395592 -3.43592905998 0 0 0 0 -3.07741904259 -4.93767213821 0.110504999757 0 0 1.86025297642 1.82000005245 1.64999997616 1.85000002384 1.07000005245 1.12999999523 140.907699585 5.46400022507 0 0 0 28.2000007629 31 3.19000005722 1.20000004768 7.55999994278 4 1.10000002384 4.48000001907 529 935 3130 6.76999998093 1.32000005245 15860 Nd [Xe] 4f^4 6s^2 -3.3477640152 -3.48243308067 0 0 0 0 -3.26256489754 -5.8286819458 0.134669005871 0 0 2.56611704826 1.82000005245 1.63999998569 1.85000002384 1.07000005245 1.13999998569 144.240005493 5.52500009537 0 0 0 31.3999996185 30 3.19000005722 1.20000004768 7.51000022888 4 1.20000004768 3.99000000954 536 1020 3030 7 1.80999994278 15961 Pm [Xe] 4f^5 6s^2 -3.36942410469 -3.52591705322 0 0 0 0 -3.31339597702 -6.61204385757 0.156492993236 0 0 3.29864811897 0 1.62999999523 1.83000004292 1.07000005245 1.12999999523 145 5.57999992371 0 0 0 30.1000003815 29 3.19000005722 1.21000003815 7.42999982834 4 1.14999997616 3.99000000954 542 1030 2730 0 0 16062 Sm [Xe] 4f^6 6s^2 -3.39062190056 -3.56727790833 0 0 0 0 -3.25206208229 -7.30571699142 0.176655992866 0 0 4.05365514755 1.80999994278 1.62000000477 1.85000002384 1.07000005245 1.16999995708 150.36000061 5.64359998703 0 0 0 28.7999992371 28 3.20000004768 1.21000003815 7.36999988556 4 1.20000004768 4.13999986649 549 1070 1900 7.53999996185 1.78999996185 16163 Eu [Xe] 4f^7 6s^2 -3.41143894196 -3.60700702667 0 0 0 0 -3.09404492378 -7.92224502563 0.19556799531 0 0 4.82819986343 1.99000000954 1.85000002384 1.85000002384 1.00999999046 1.20000004768 151.964996338 5.67040014267 0 0 0 27.7000007629 18 3.20000004768 1.21000003815 7.36000013351 4 1.14999997616 3.94000005722 553 826 1440 5.26000022888 1.99000000954 16264 Gd [Xe] 4f^7 5d^1 6s^2 -3.63538908958 -4.09602308273 0 0 -2.77934503555 -3.90807390213 -9.71781730652 -15.1763153076 0.460635006428 0 1.12872898579 5.4584980011 1.79999995232 1.61000001431 1.79999995232 1.11000001431 1.20000004768 157.25 6.15010023117 0 0 0 23.5 27 3.20000004768 1.21000003815 7.34000015259 4 1.10000002384 3.91000008583 598 1310 3000 7.88999986649 1.78999996185 16365 Tb [Xe] 4f^9 6s^2 -3.51995801926 -3.64001488686 0 0 0 0 -4.81720685959 -8.42584705353 0.12005700171 0 0 3.60863995552 1.79999995232 1.59000003338 1.75 1.10000002384 1.20000004768 158.925292969 5.86380004883 0 0 0 25.5 26 3.21000003815 1.22000002861 7.19999980927 4 1.20000004768 3.8900001049 570 1360 2800 8.27000045776 1.75999999046 16466 Dy [Xe] 4f^10 6s^2 -3.56613588333 -3.65664100647 0 0 0 0 -5.53866291046 -8.47798442841 0.0905049964786 0 0 2.93932104111 1.79999995232 1.59000003338 1.75 1.10000002384 1.22000002861 162.5 5.9388999939 0 0 0 24.5 24 3.21000003815 1.22000002861 7.11999988556 4 1.14999997616 3.67000007629 578 1410 2600 8.53999996185 1.75 16567 Ho [Xe] 4f^11 6s^2 -3.60931992531 -3.67370200157 0 0 0 0 -6.18828105927 -8.42840480804 0.0643820017576 0 0 2.2401239872 1.78999996185 1.58000004292 1.75 1.10000002384 1.23000001907 164.930297852 6.02150011063 0 0 0 23.6000003815 23 3.22000002861 1.22000002861 7.05999994278 4 1.20000004768 3.65000009537 586 1460 2600 8.80000019073 1.74000000954 16668 Er [Xe] 4f^12 6s^2 -3.65030002594 -3.69122600555 0 0 0 0 -6.77591085434 -8.29123210907 0.0409259982407 0 0 1.51532101631 1.77999997139 1.57000005245 1.75 1.11000001431 1.24000000954 167.259994507 6.10769987106 0 0 0 22.7000007629 22 3.22000002861 1.23000001907 6.98000001907 4 1.20000004768 3.63000011444 595 1500 2900 9.05000019073 1.73000001907 16769 Tm [Xe] 4f^13 6s^2 -3.68964791298 -3.70921301842 0 0 0 0 -7.30903577805 -8.07688808441 0.0195649992675 0 0 0.767850995064 1.76999998093 1.55999994278 1.75 1.11000001431 1.25 168.934204102 6.18430995941 0 0 0 21.7999992371 21 3.22000002861 1.23000001907 6.90000009537 4 1.20000004768 3.59999990463 601 1550 1730 9.32999992371 0 16870 Yb [Xe] 4f^14 6s^2 -3.72766208649 -3.72766208649 0 0 0 0 -7.7935628891 -7.7935628891 0 0 0 0 1.94000005722 1.70000004768 1.75999999046 1.05999994278 1.10000002384 173.039993286 6.25415992737 0 0 0 21 17 3.22000002861 1.23000001907 6.86000013351 4 1.10000002384 3.58999991417 610 824 1430 6.98000001907 1.94000005722 16971 Lu [Xe] 4f^14 5d^1 6s^2 -4.03341007233 -4.36987876892 0 0 -2.55044293404 -3.02909088135 -15.3839378357 -15.4542789459 0.336468994617 0 0.478648990393 0.0703409984708 1.75 1.55999994278 1.75 1.13999998569 1.26999998093 174.966995239 5.42589998245 0 0 0 21.8999996185 20 3.22000002861 1.24000000954 6.80999994278 4 1.20000004768 3.36999988556 530 1650 3330 9.84000015259 1.72000002861 17072 Hf [Xe] 4f^14 5d^2 6s^2 -4.17926311493 -4.78686618805 0 0 -3.31554603577 -4.32511615753 -23.5275211334 -23.6885585785 0.607603013515 0 1.00957000256 0.161036998034 1.66999995708 1.44000005722 1.54999995232 1.23000001907 1.29999995232 178.490005493 6.82506990433 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 17173 Ta [Xe] 4f^14 5d^3 6s^2 -4.26908779144 -5.10151195526 0 0 -4.01330089569 -5.57896280289 -32.3138923645 -32.5788192749 0.832423985004 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 17274 W [Xe] 4f^14 5d^4 6s^2 -4.33205509186 -5.35569286346 0 0 -4.67736816406 -6.81583023071 -41.7318115234 -42.1114082336 1.02363801003 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 17375 Re [Xe] 4f^14 5d^5 6s^2 -4.38000106812 -5.56968402863 0 0 -5.32244110107 -8.04720020294 -51.7570610046 -52.2610168457 1.18968200684 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 1.37000000477 17476 Os [Xe] 4f^14 5d^6 6s^2 -4.72256612778 -5.59518098831 0 0 -6.78372001648 -8.97532653809 -62.7424125671 -63.1699867249 0.872614979744 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 17577 Ir [Xe] 4f^14 5d^7 6s^2 -4.99451589584 -5.6008682251 0 0 -8.1960735321 -9.84783267975 -74.2423553467 -74.5795898438 0.606351971626 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 17678 Pt [Xe] 4f^14 5d^9 6s^1 -3.91449594498 -4.7045249939 0 0 -7.01651382446 -7.72537088394 -82.539932251 -82.6585998535 0.790028989315 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 17779 Au [Xe] 4f^14 5d^10 6s^1 -4.05803585052 -4.67195177078 0 0 -8.16703891754 -8.34225273132 -94.8371200562 -94.8449249268 0.613915979862 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 17880 Hg [Xe] 4f^14 5d^10 6s^2 -5.58206510544 -5.58206510544 0 0 -12.314573288 -12.314573288 -111.84677124 -111.84677124 0 0 0 0 1.60000002384 1.49000000954 1.5 1.44000005722 2 200.589996338 10.4375 0 0 0 5.69999980927 74 4.19999980927 1.24000000954 5.82999992371 3 1.49000000954 2.41000008583 1013 -39 357 13.529999733 1.5 17981 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 18082 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 18183 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 18284 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 2 209 8.4167098999 1.89999997616 5.15835523605 3.25835490227 6.80000019073 91 0 0 0 2 2.40000009537 1.89999997616 818 254 962 9.39999961853 1.66999995708 18385 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 1.89999997616 2.20000004768 210 0 2.79999995232 0 0 6 96 0 0 0 0 2.6400001049 1.83000004292 0 302 335 0 0 18486 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 1.34000003338 0 0 2.05999994278 0 213.035903931 10.7484998703 0 0 0 5.30000019073 6 0 0 0 0 0 0 1043 -71 -62 4.40000009537 0 18587 Fr [Rn] 7s^1 -1.81412994862 -2.22246408463 0 0 0 0 0 0 0.408333986998 0 0 0 2.70000004768 0 0 0.860000014305 0.699999988079 222 4.07270002365 0.460000008345 2.2663500309 1.80634999275 48.7000007629 7 0 0 0 1 0.699999988079 4.36999988556 0 27 680 0 0 18688 Ra [Rn] 7s^2 -3.09480690956 -3.09480690956 0 0 0 0 0 0 0 0 0 0 2.32999992371 0 2.15000009537 0.97000002861 0.899999976158 223 5.27839994431 0 0 0 38.2999992371 13 0 0 0 1 0.899999976158 3.52999997139 516 700 1530 5 0 18789 Ac [Rn] 6d^1 7s^2 -3.31301498413 -3.55508804321 0 0 -3.52910089493 -3.93370699883 0 0 0.242072999477 0 0.40460601449 0 1.87999999523 0 1.92999994755 1 1.10000002384 226.025405884 5.17000007629 0 0 0 32.0999984741 48 0 0 0 5 1.10000002384 3.11999988556 670 1050 3200 0 0 18890 Th [Rn] 6d^2 7s^2 -3.44999694824 -3.8928360939 0 0 -4.23401212692 -5.06126594543 0 0 0.442838013172 0 0.827253997326 0 1.79999995232 1.64999997616 1.79999995232 1.11000001431 1.29999995232 227 6.30670022964 0 0 0 32.0999984741 47 3.29999995232 1.27999997139 7.32000017166 5 1.29999995232 4.98000001907 0 1700 4200 11.6999998093 1.79999995232 18991 Pa [Rn] 5f^2 6d^1 7s^2 -3.3474919796 -3.67013788223 0 0 -3.47367095947 -4.18247413635 -7.91644906998 -9.13347911835 0.322645992041 0 0.708802998066 1.21703004837 1.61000001431 0 1.79999995232 1.13999998569 1.5 232.038101196 5.88999986649 0 0 0 25.3999996185 46 0 0 0 5 1.5 4.96000003815 0 1230 0 15.3999996185 1.61000001431 19092 U [Rn] 5f^3 6d^1 7s^2 -3.36341094971 -3.71634292603 0 0 -3.41660904884 -4.24772691727 -8.92389678955 -10.7035226822 0.352932006121 0 0.831117987633 1.77962601185 1.37999999523 1.41999995708 1.75 1.22000002861 1.37999999523 238.028900146 6.19404983521 0 0 0 24.8999996185 45 3.90000009537 1.50999999046 5.57000017166 5 1.70000004768 4.71999979019 0 1130 3820 18.8999996185 1.38999998569 191\. 192 193 194-- 195-- Data for TOC entry 6 (OID 169318) 196-- Name: lsd_data; Type: TABLE DATA; Schema: public; Owner: sysdba 197-- 198 199COPY lsd_data (num, name, config, esup, esdown, epup, epdown, edup, eddown, efup, efdown, des, dep, ded, def) FROM stdin; 2001 H 1s^1 -2.72590208054 -7.31918621063 0 0 0 0 0 0 4.5932841301 0 0 0 2012 He 1s^2 -15.5220632553 -15.5220632553 0 0 0 0 0 0 0 0 0 0 2023 Li [He] 2s^1 -2.09133195877 -3.16482210159 0 0 0 0 0 0 1.07349002361 0 0 0 2034 Be [He] 2s^2 -5.59858179092 -5.59858179092 0 0 0 0 0 0 0 0 0 0 2045 B [He] 2s^2 2p^1 -8.67020511627 -9.8081035614 -3.07989501953 -4.10492086411 0 0 0 0 1.13789904118 1.02502596378 0 0 2056 C [He] 2s^2 2p^2 -11.8387546539 -14.4567642212 -3.79013991356 -6.19214487076 0 0 0 0 2.61800909042 2.4020049572 0 0 2067 N [He] 2s^2 2p^3 -15.2752275467 -19.6128883362 -4.37300777435 -8.40418624878 0 0 0 0 4.33765983582 4.03117799759 0 0 2078 O [He] 2s^2 2p^4 -21.8136920929 -24.9135055542 -7.41099786758 -10.3711633682 0 0 0 0 3.09981393814 2.9601650238 0 0 2089 F [He] 2s^2 2p^5 -28.684135437 -30.3153495789 -10.4478435516 -12.0315752029 0 0 0 0 1.63121497631 1.58373105526 0 0 20910 Ne [He] 2s^2 2p^6 -35.9954833984 -35.9954833984 -13.5522022247 -13.5522022247 0 0 0 0 0 0 0 0 21011 Na [Ne] 3s^1 -2.21879005432 -3.0804669857 0 0 0 0 0 0 0.861675977707 0 0 0 21112 Mg [Ne] 3s^2 -4.77361392975 -4.77361392975 0 0 0 0 0 0 0 0 0 0 21213 Al [Ne] 3s^2 3p^1 -7.39970493317 -8.06213855743 -2.41754198074 -3.02718710899 0 0 0 0 0.662433981895 0.609643995762 0 0 21314 Si [Ne] 3s^2 3p^2 -9.83958816528 -11.3410043716 -3.29029393196 -4.63184309006 0 0 0 0 1.50141596794 1.34154903889 0 0 21415 P [Ne] 3s^2 3p^3 -12.2498102188 -14.7022380829 -4.12233686447 -6.2961192131 0 0 0 0 2.4524269104 2.17378306389 0 0 21516 S [Ne] 3s^2 3p^4 -16.1379108429 -17.8551940918 -6.21195411682 -7.73644590378 0 0 0 0 1.71728396416 1.52449095249 0 0 21617 Cl [Ne] 3s^2 3p^5 -20.0472106934 -20.9383296967 -8.28943634033 -9.08311080933 0 0 0 0 0.891119003296 0.793675005436 0 0 21718 Ar [Ne] 3s^2 3p^6 -24.0381145477 -24.0381145477 -10.4037351608 -10.4037351608 0 0 0 0 0 0 0 0 21819 K [Ar] 4s^1 -2.02398395538 -2.61776399612 0 0 0 0 0 0 0.593779981136 0 0 0 21920 Ca [Ar] 4s^2 -3.84799098969 -3.84799098969 0 0 0 0 0 0 0 0 0 0 22021 Sc [Ar] 3d^1 4s^2 -4.1057100296 -4.38000106812 0 0 -3.19108104706 -3.84053492546 0 0 0.274291008711 0 0.649453997612 0 22122 Ti [Ar] 3d^2 4s^2 -4.26193094254 -4.75584506989 0 0 -3.74589395523 -5.17106389999 0 0 0.493914008141 0 1.42516994476 0 22223 V [Ar] 3d^3 4s^2 -4.3844370842 -5.06894016266 0 0 -4.09229516983 -6.38003921509 0 0 0.684503018856 0 2.28774404526 0 22324 Cr [Ar] 3d^5 4s^1 -2.56189894676 -4.53230381012 0 0 -0.307924002409 -3.98274207115 0 0 1.97040498257 0 3.67481803894 0 22425 Mn [Ar] 3d^5 4s^2 -4.5876789093 -5.60451412201 0 0 -4.3716468811 -8.58021736145 0 0 1.01683604717 0 4.20857000351 0 22526 Fe [Ar] 3d^6 4s^2 -4.96915483475 -5.71406698227 0 0 -5.82084512711 -9.35538768768 0 0 0.744912028313 0 3.53454303741 0 22627 Co [Ar] 3d^7 4s^2 -5.28586912155 -5.80631399155 0 0 -7.16838121414 -9.92454242706 0 0 0.520444989204 0 2.7561609745 0 22728 Ni [Ar] 3d^8 4s^2 -5.56535720825 -5.89268302917 0 0 -8.44614601135 -10.3455018997 0 0 0.327325999737 0 1.89935600758 0 22829 Cu [Ar] 3d^10 4s^1 -4.18797111511 -5.00725078583 0 0 -5.36361217499 -5.50960111618 0 0 0.819280982018 0 0.145989000797 0 22930 Zn [Ar] 3d^10 4s^2 -6.06065893173 -6.06065893173 0 0 -10.8558254242 -10.8558254242 0 0 0 0 0 0 23031 Ga [Ar] 3d^10 4s^2 4p^1 -8.56250190735 -9.1530714035 -2.4025220871 -2.99869608879 -19.9347457886 -20.0011959076 0 0 0.590569019318 0.596175014973 0.0664499998093 0 23132 Ge [Ar] 3d^10 4s^2 4p^2 -10.7624616623 -12.0428676605 -3.27875590324 -4.50936412811 -30.1303119659 -30.2976341248 0 0 1.28040504456 1.23060798645 0.167322993279 0 23233 As [Ar] 3d^10 4s^2 4p^3 -12.8657951355 -14.8904323578 -4.09041786194 -5.99551486969 -41.4961891174 -41.7899093628 0 0 2.02463698387 1.90509700775 0.293720006943 0 23334 Se [Ar] 3d^10 4s^2 4p^4 -16.0815029144 -17.4628334045 -5.92803096771 -7.21396017075 -54.5032081604 -54.7263145447 0 0 1.38133203983 1.28592896461 0.223105996847 0 23435 Br [Ar] 3d^10 4s^2 4p^5 -19.2149219513 -19.9169483185 -7.68743801117 -8.33602237701 -68.5435562134 -68.6673126221 0 0 0.702027022839 0.648584008217 0.123756997287 0 23536 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 23637 Rb [Kr] 5s^1 -1.98371100426 -2.5068230629 0 0 0 0 0 0 0.523111999035 0 0 0 23738 Sr [Kr] 5s^2 -3.58627200127 -3.58627200127 0 0 0 0 0 0 0 0 0 0 23839 Y [Kr] 4d^1 5s^2 -3.92363905907 -4.24293804169 0 0 -2.67733001709 -3.17170596123 0 0 0.319299012423 0 0.494376987219 0 23940 Zr [Kr] 4d^2 5s^2 -4.08859395981 -4.66182994843 0 0 -3.4683380127 -4.53088903427 0 0 0.573234975338 0 1.06255102158 0 24041 Nb [Kr] 4d^4 5s^1 -2.66176509857 -4.37703514099 0 0 -1.69880795479 -4.02105617523 0 0 1.71527099609 0 2.32224798203 0 24142 Mo [Kr] 4d^5 5s^1 -2.60554599762 -4.50549983978 0 0 -1.99671804905 -4.9208278656 0 0 1.89995396137 0 2.92410993576 0 24243 Tc [Kr] 4d^5 5s^2 -4.33649015427 -5.45591306686 0 0 -5.44298696518 -8.43869113922 0 0 1.11942303181 0 2.99570298195 0 24344 Ru [Kr] 4d^7 5s^1 -3.3640089035 -4.5916519165 0 0 -4.5087928772 -6.40809392929 0 0 1.22764205933 0 1.89930105209 0 24445 Rh [Kr] 4d^8 5s^1 -3.57614898682 -4.58533906937 0 0 -5.68563222885 -7.03055477142 0 0 1.00918900967 0 1.34492301941 0 24546 Pd [Kr] 4d^10 0 0 0 0 -4.37480401993 -4.37480401993 0 0 0 0 0 0 24647 Ag [Kr] 4d^10 5s^1 -3.88622307777 -4.55423593521 0 0 -8.00028800964 -8.16238594055 0 0 0.668012976646 0 0.162098005414 0 24748 Cd [Kr] 4d^10 5s^2 -5.55733013153 -5.55733013153 0 0 -12.8037796021 -12.8037796021 0 0 0 0 0 0 24849 In [Kr] 4d^10 5s^2 5p^1 -7.60653877258 -8.10170459747 -2.45993804932 -2.97785210609 -19.7949333191 -19.8675327301 0 0 0.495166003704 0.517915010452 0.0725999996066 0 24950 Sn [Kr] 4d^10 5s^2 5p^2 -9.38151073456 -10.4190816879 -3.26955890656 -4.30750989914 -27.1271266937 -27.2984752655 0 0 1.03757095337 1.03795194626 0.171350002289 0 25051 Sb [Kr] 4d^10 5s^2 5p^3 -11.0514202118 -12.6570825577 -4.01308298111 -5.58538484573 -34.9233016968 -35.2113609314 0 0 1.60566294193 1.57230198383 0.28806000948 0 25152 Te [Kr] 4d^10 5s^2 5p^4 -13.5409374237 -14.6196241379 -5.55460882187 -6.59849214554 -43.579246521 -43.7895622253 0 0 1.07868695259 1.04388403893 0.210317000747 0 25253 I [Kr] 4d^10 5s^2 5p^5 -15.9358386993 -16.4778900146 -7.0117521286 -7.53108119965 -52.6669044495 -52.7800750732 0 0 0.542051017284 0.519330024719 0.113172002137 0 25354 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 25455 Cs [Xe] 6s^1 -1.85930097103 -2.30085992813 0 0 0 0 0 0 0.441558986902 0 0 0 25556 Ba [Xe] 6s^2 -3.23725891113 -3.23725891113 0 0 0 0 0 0 0 0 0 0 25657 La [Xe] 5d^1 6s^2 -3.46216106415 -3.71408390999 0 0 -3.59655809402 -4.04013109207 0 0 0.251922994852 0 0.443572998047 0 25758 Ce [Xe] 4f^1 5d^1 6s^2 -3.48648810387 -3.77544593811 0 0 -3.50232505798 -4.07721996307 -8.71951198578 -9.52858924866 0.288958013058 0 0.5748950243 0.80907702446 25859 Pr [Xe] 4f^3 6s^2 -3.32542395592 -3.43592905998 0 0 0 0 -3.07741904259 -4.93767213821 0.110504999757 0 0 1.86025297642 25960 Nd [Xe] 4f^4 6s^2 -3.3477640152 -3.48243308067 0 0 0 0 -3.26256489754 -5.8286819458 0.134669005871 0 0 2.56611704826 26061 Pm [Xe] 4f^5 6s^2 -3.36942410469 -3.52591705322 0 0 0 0 -3.31339597702 -6.61204385757 0.156492993236 0 0 3.29864811897 26162 Sm [Xe] 4f^6 6s^2 -3.39062190056 -3.56727790833 0 0 0 0 -3.25206208229 -7.30571699142 0.176655992866 0 0 4.05365514755 26263 Eu [Xe] 4f^7 6s^2 -3.41143894196 -3.60700702667 0 0 0 0 -3.09404492378 -7.92224502563 0.19556799531 0 0 4.82819986343 26364 Gd [Xe] 4f^7 5d^1 6s^2 -3.63538908958 -4.09602308273 0 0 -2.77934503555 -3.90807390213 -9.71781730652 -15.1763153076 0.460635006428 0 1.12872898579 5.4584980011 26465 Tb [Xe] 4f^9 6s^2 -3.51995801926 -3.64001488686 0 0 0 0 -4.81720685959 -8.42584705353 0.12005700171 0 0 3.60863995552 26566 Dy [Xe] 4f^10 6s^2 -3.56613588333 -3.65664100647 0 0 0 0 -5.53866291046 -8.47798442841 0.0905049964786 0 0 2.93932104111 26667 Ho [Xe] 4f^11 6s^2 -3.60931992531 -3.67370200157 0 0 0 0 -6.18828105927 -8.42840480804 0.0643820017576 0 0 2.2401239872 26768 Er [Xe] 4f^12 6s^2 -3.65030002594 -3.69122600555 0 0 0 0 -6.77591085434 -8.29123210907 0.0409259982407 0 0 1.51532101631 26869 Tm [Xe] 4f^13 6s^2 -3.68964791298 -3.70921301842 0 0 0 0 -7.30903577805 -8.07688808441 0.0195649992675 0 0 0.767850995064 26970 Yb [Xe] 4f^14 6s^2 -3.72766208649 -3.72766208649 0 0 0 0 -7.7935628891 -7.7935628891 0 0 0 0 27071 Lu [Xe] 4f^14 5d^1 6s^2 -4.03341007233 -4.36987876892 0 0 -2.55044293404 -3.02909088135 -15.3839378357 -15.4542789459 0.336468994617 0 0.478648990393 0.0703409984708 27172 Hf [Xe] 4f^14 5d^2 6s^2 -4.17926311493 -4.78686618805 0 0 -3.31554603577 -4.32511615753 -23.5275211334 -23.6885585785 0.607603013515 0 1.00957000256 0.161036998034 27273 Ta [Xe] 4f^14 5d^3 6s^2 -4.26908779144 -5.10151195526 0 0 -4.01330089569 -5.57896280289 -32.3138923645 -32.5788192749 0.832423985004 0 1.56566202641 0.264930009842 27374 W [Xe] 4f^14 5d^4 6s^2 -4.33205509186 -5.35569286346 0 0 -4.67736816406 -6.81583023071 -41.7318115234 -42.1114082336 1.02363801003 0 2.13846206665 0.379599004984 27475 Re [Xe] 4f^14 5d^5 6s^2 -4.38000106812 -5.56968402863 0 0 -5.32244110107 -8.04720020294 -51.7570610046 -52.2610168457 1.18968200684 0 2.72475910187 0.503955006599 27576 Os [Xe] 4f^14 5d^6 6s^2 -4.72256612778 -5.59518098831 0 0 -6.78372001648 -8.97532653809 -62.7424125671 -63.1699867249 0.872614979744 0 2.19160604477 0.427572995424 27677 Ir [Xe] 4f^14 5d^7 6s^2 -4.99451589584 -5.6008682251 0 0 -8.1960735321 -9.84783267975 -74.2423553467 -74.5795898438 0.606351971626 0 1.65175902843 0.337231010199 27778 Pt [Xe] 4f^14 5d^9 6s^1 -3.91449594498 -4.7045249939 0 0 -7.01651382446 -7.72537088394 -82.539932251 -82.6585998535 0.790028989315 0 0.708856999874 0.118669003248 27879 Au [Xe] 4f^14 5d^10 6s^1 -4.05803585052 -4.67195177078 0 0 -8.16703891754 -8.34225273132 -94.8371200562 -94.8449249268 0.613915979862 0 0.175213992596 0.00780999986455 27980 Hg [Xe] 4f^14 5d^10 6s^2 -5.58206510544 -5.58206510544 0 0 -12.314573288 -12.314573288 -111.84677124 -111.84677124 0 0 0 0 28081 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 28182 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 28283 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 28384 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 28485 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 28586 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 28687 Fr [Rn] 7s^1 -1.81412994862 -2.22246408463 0 0 0 0 0 0 0.408333986998 0 0 0 28788 Ra [Rn] 7s^2 -3.09480690956 -3.09480690956 0 0 0 0 0 0 0 0 0 0 28889 Ac [Rn] 6d^1 7s^2 -3.31301498413 -3.55508804321 0 0 -3.52910089493 -3.93370699883 0 0 0.242072999477 0 0.40460601449 0 28990 Th [Rn] 6d^2 7s^2 -3.44999694824 -3.8928360939 0 0 -4.23401212692 -5.06126594543 0 0 0.442838013172 0 0.827253997326 0 29091 Pa [Rn] 5f^2 6d^1 7s^2 -3.3474919796 -3.67013788223 0 0 -3.47367095947 -4.18247413635 -7.91644906998 -9.13347911835 0.322645992041 0 0.708802998066 1.21703004837 29192 U [Rn] 5f^3 6d^1 7s^2 -3.36341094971 -3.71634292603 0 0 -3.41660904884 -4.24772691727 -8.92389678955 -10.7035226822 0.352932006121 0 0.831117987633 1.77962601185 292\. 293 294 295-- 296-- Data for TOC entry 7 (OID 169458) 297-- Name: source_notes; Type: TABLE DATA; Schema: public; Owner: sysdba 298-- 299 300COPY source_notes (property, notes, units, source) FROM stdin; 301Config Valence electron configuration n/a NIST database 302eXup/down Valence orbital energies eV NIST database 303deX Valence orbital exchange splitting (from eXup/down) eV NIST database 304atomic_rad Atomic radius A - 305covalent_rad Covalent radius A - 306slater_atomic_rad Slater atomic radius A - 307a_r_electroneg Allred-Rochow Electronegativity n/a - 308pauling_electroneg Pauling electronegativity n/a - 309atomic_mass Average atomic mass au - 310first_ip First Ionization potential eV CRC 311electron_affinity Electron Affinity eV CRC 312pearson_electroneg Pearsons electronegativity eV Calculated from first_IP and electron_affinity 313pearson_hardness Pearsons hardness eV Calculated from first_IP and electron_affinity 314polarizability Atomic Polarizability 10^(-24) cm3 CRC 315mendeleev_number Mendeleev Number (alternate numbering for the Periodic Table) \N Sutton: "Electronic Structure of Materials" 316Miedema_phi Miedemas phi (electronegativity) eV Miedema: "Cohesion in Metals" 317Miedema_n Miedemas n_ws(1/3) (electron density at the edge of the atom) density^(1/3) Miedema: "Cohesion in Metals" 318Miedema_v Miedemas V(2/3) cm^(2) Miedema: "Cohesion in Metals" 319Metaltype 0: nonmetal; 1: alkali/alkali earth; 3: semi-metal; 4: transition metal; 5: rare-earth; 6: actinide \N Periodic Table 320M_B_electroneg Matynov-Batsanov electronegativity eV^(1/2) K.M. Rabe, J.C. Phillips, P. Villars, I.D. Brown PRB 45, 7650-7676 (1992) 321pp_core_radii_sum r_s + r_p au K.M. Rabe, J.C. Phillips, P. Villars, I.D. Brown PRB 45, 7650-7676 (1992) 322DH298 Heat of Formation kJ/mol CamSoft Table 323mp melting point of the element deg C CamSoft Table 324bp boiling point of the element deg C CamSoft Table 325density density of the element g cm^(-3) CamSoft Table 326r_metallic metallic radius A CamSoft Table 327\. 328 329 330