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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,84 @@ | ||
| H 0 | ||
| He 0 | ||
| Li 1 | ||
| Be 2 | ||
| B 0 | ||
| C 0 | ||
| N 0 | ||
| O 0 | ||
| F 0 | ||
| Ne 0 | ||
| Na 1 | ||
| Mg 2 | ||
| Al 3 | ||
| Si 0 | ||
| P 0 | ||
| S 0 | ||
| Cl 0 | ||
| Ar 0 | ||
| K 1 | ||
| Ca 2 | ||
| Sc 3 | ||
| Ti 4 | ||
| V 4 | ||
| Cr 3 | ||
| Mn 2 | ||
| Fe 2 | ||
| Co 2 | ||
| Ni 2 | ||
| Cu 2 | ||
| Zn 2 | ||
| Ga 3 | ||
| Ge 0 | ||
| As 0 | ||
| Se 0 | ||
| Br 0 | ||
| Kr 0 | ||
| Rb 1 | ||
| Sr 2 | ||
| Y 3 | ||
| Zr 4 | ||
| Nb 4 | ||
| Mo 4 | ||
| Tc 2 | ||
| Ru 2 | ||
| Rh 2 | ||
| Pd 2 | ||
| Ag 1 | ||
| Cd 2 | ||
| In 3 | ||
| Sn 2 | ||
| Sb 0 | ||
| Te 0 | ||
| I 0 | ||
| Xe 0 | ||
| Cs 1 | ||
| Ba 1 | ||
| La 2 | ||
| Ce 3 | ||
| Pr 3 | ||
| Nd 1 | ||
| Pm 1 | ||
| Sm 1 | ||
| Eu 1 | ||
| Gd 1 | ||
| Tb 1 | ||
| Dy 1 | ||
| Ho 1 | ||
| Er 1 | ||
| Tm 2 | ||
| Yb 2 | ||
| Lu 1 | ||
| Hf 3 | ||
| Ta 0 | ||
| W 0 | ||
| Re 0 | ||
| Os 0 | ||
| Ir 0 | ||
| Pt 1 | ||
| Au 1 | ||
| Hg 1 | ||
| Tl 1 | ||
| Pb 2 | ||
| Bi 3 | ||
| Po 0 |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,84 @@ | ||
| 1 H ok 0.75420 13.598000 np np np np np np np | ||
| 2 He ok 0.00000 24.58700 54.41600 np np np np np np | ||
| 3 Li ok 0.61805 5.39200 75.63800 122.45100 np np np np np | ||
| 4 Be ok 0.00000 9.32200 18.21100 153.89300 217.71300 np np np np | ||
| 5 B ok 0.27972 8.29800 25.15400 37.93000 259.36800 340.21700 np np np | ||
| 6 C ok 1.26212 11.26000 24.38300 47.88700 64.49200 392.07700 489.98100 np np | ||
| 7 N ok -0.07000 14.53400 29.60100 47.44800 77.47200 97.88800 552.05700 667.02900 np | ||
| 8 O ok 1.46111 13.61800 35.11600 54.93400 77.41200 113.89600 138.11600 739.31500 871.38700 | ||
| 9 F ok 3.40119 17.42200 34.97000 62.70700 87.13800 114.24000 157.16100 185.18200 953.88600 | ||
| 10 Ne ok 0.00000 21.56400 40.96200 63.45000 97.11000 126.21000 157.93000 207.27000 239.09000 | ||
| 11 Na ok 0.54793 5.13900 47.28600 71.64000 98.91000 138.39000 172.15000 208.47000 264.18000 | ||
| 12 Mg ok 0.00000 7.64600 15.03500 80.14300 109.24000 141.26000 186.50000 224.94000 265.90000 | ||
| 13 Al ok 0.43283 5.98600 18.82800 28.44700 119.99000 153.71000 190.47000 241.43000 284.59000 | ||
| 14 Si ok 1.38952 8.15100 16.34500 33.49200 45.14100 166.77000 205.05000 246.52000 303.17000 | ||
| 15 P ok 0.74650 10.45800 19.72500 30.18000 51.37000 65.02300 220.43000 263.22000 309.41000 | ||
| 16 S ok 2.07710 10.36000 23.33000 34.83000 47.30000 72.68000 88.04900 280.93000 328.23000 | ||
| 17 Cl ok 3.61272 12.96700 23.81000 39.61000 53.46000 67.80000 97.03000 114.19300 348.28000 | ||
| 18 Ar ok 0.00000 15.75900 27.62900 40.74000 59.81000 75.02000 91.00700 124.31900 143.45600 | ||
| 19 K ok 0.50146 4.34100 31.62500 45.72000 60.91000 82.66000 100.00000 117.56000 154.86000 | ||
| 20 Ca ok 0.02455 6.11300 11.87100 50.90800 67.10000 84.41000 108.78000 127.70000 147.24000 | ||
| 21 Sc ok 0.18800 6.54000 12.80000 24.76000 73.47000 91.66000 111.10000 138.00000 158.70000 | ||
| 22 Ti ok 0.08400 6.82000 13.58000 27.49100 43.26600 99.22000 119.36000 140.80000 168.50000 | ||
| 23 V ok 0.52500 6.74000 14.65000 29.31000 46.70700 65.23000 128.12000 150.17000 173.70000 | ||
| 24 Cr ok 0.67584 6.76600 16.50000 30.96000 49.10000 69.30000 90.56000 161.10000 184.70000 | ||
| 25 Mn ok 0.00000 7.43500 15.64000 33.66700 51.20000 72.40000 95.00000 119.27000 196.46000 | ||
| 26 Fe ok 0.15100 7.87000 16.18000 30.65100 54.80000 75.00000 99.00000 125.00000 151.06000 | ||
| 27 Co ok 0.66330 7.86000 17.06000 33.50000 51.30000 79.50000 102.00000 129.00000 157.00000 | ||
| 28 Ni ok 1.15716 7.63500 18.16800 35.17000 54.90000 75.50000 108.00000 133.00000 162.00000 | ||
| 29 Cu ok 1.23578 7.72600 20.29200 36.83000 55.20000 79.90000 103.00000 139.00000 166.00000 | ||
| 30 Zn ok 0.00000 9.39400 17.96400 39.72200 59.40000 82.60000 108.00000 134.00000 174.00000 | ||
| 31 Ga ok 0.41000 5.99900 20.51000 30.71000 64.00000 na na na na | ||
| 32 Ge ok 1.23271 7.89900 15.93400 34.22000 45.71000 93.50000 na na na | ||
| 33 As ok 0.81400 9.81000 18.63300 28.35100 50.13000 62.63000 127.60000 na na | ||
| 34 Se ok 2.02070 9.75200 21.19000 30.82000 42.94400 68.30000 81.70000 155.40000 na | ||
| 35 Br ok 3.36359 11.81400 21.80000 36.00000 47.30000 59.70000 88.60000 103.00000 192.80000 | ||
| 36 Kr ok 0.00000 13.99900 24.35900 36.95000 52.50000 64.70000 18.50000 111.00000 126.00000 | ||
| 37 Rb ok 0.48592 4.17700 27.28000 40.00000 52.60000 71.00000 84.40000 99.20000 136.00000 | ||
| 38 Sr ok 0.05206 5.69500 11.03000 43.60000 57.00000 71.60000 90.80000 106.00000 122.30000 | ||
| 39 Y ok 0.30700 6.38000 12.24000 20.52000 61.80000 77.00000 93.00000 116.00000 129.00000 | ||
| 40 Zr ok 0.42600 6.84000 13.13000 22.99000 34.34000 81.50000 na na na | ||
| 41 Nb ok 0.89300 6.88000 14.32000 25.04000 38.30000 50.55000 102.60000 125.00000 na | ||
| 42 Mo ok 0.74720 7.09900 16.15000 27.16000 46.40000 61.20000 68.00000 126.80000 153.00000 | ||
| 43 Tc ok 0.55000 7.28000 15.26000 29.54000 na na na na na | ||
| 44 Ru ok 1.04638 7.37000 16.76000 28.47000 na na na na na | ||
| 45 Rh ok 1.14289 7.46000 18.08000 31.06000 na na na na na | ||
| 46 Pd ok 0.56214 8.34000 19.43000 32.93000 na na na na na | ||
| 47 Ag ok 1.30447 7.57600 21.49000 34.83000 na na na na na | ||
| 48 Cd ok 0.00000 8.99300 16.90800 37.48000 na na na na na | ||
| 49 In ok 0.40400 5.78600 18.86900 28.03000 54.00000 na na na na | ||
| 50 Sn ok 1.11207 7.34400 14.63200 30.50200 40.73400 72.28000 na na na | ||
| 51 Sb ok 1.04740 8.64100 16.53000 25.30000 44.20000 56.00000 108.00000 na na | ||
| 52 Te ok 1.97088 9.00900 18.60000 27.96000 37.41000 58.75000 70.70000 137.00000 na | ||
| 53 I ok 3.05904 10.45100 19.13100 33.00000 na na na na na | ||
| 54 Xe ok 0.00000 12.13000 21.21000 32.10000 na na na na na | ||
| 55 Cs warn_IP3 0.47163 3.89400 25.10000 na na na na na na | ||
| 56 Ba warn_IP3 0.14462 5.21200 10.00400 na na na na na na | ||
| 57 La ok 0.47000 5.57700 11.06000 19.17500 na na na na na | ||
| 58 Ce ok 0.70000 5.47000 10.85000 20.20000 36.72000 na na na na | ||
| 59 Pr warn_EA <0.5 5.42000 10.55000 21.62000 38.95000 57.45000 na na na | ||
| 60 Nd warn_EA_IP3 <0.5 5.49000 10.72000 na na na na na na | ||
| 61 Pm warn_EA_IP3 <0.5 5.55000 10.90000 na na na na na na | ||
| 62 Sm warn_EA_IP3 <0.5 5.63000 11.07000 na na na na na na | ||
| 63 Eu warn_EA_IP3 <0.5 5.67000 11.25000 na na na na na na | ||
| 64 Gd warn_EA_IP3 <0.5 6.14000 12.10000 na na na na na na | ||
| 65 Tb warn_EA_IP3 <0.5 5.85000 11.52000 na na na na na na | ||
| 66 Dy warn_EA_IP3 <0.5 5.93000 11.67000 na na na na na na | ||
| 67 Ho warn_EA_IP3 <0.5 6.02000 11.80000 na na na na na na | ||
| 68 Er warn_EA_IP3 <0.5 6.10000 11.93000 na na na na na na | ||
| 69 Tm warn_EA <0.5 6.18000 12.05000 23.71000 na na na na na | ||
| 70 Yb warn_EA <0.5 6.25400 12.17000 25.20000 na na na na na | ||
| 71 Lu warn_EA_IP3 <0.5 5.42600 13.90000 na na na na na na | ||
| 72 Hf ok 0.00000 7.00000 14.90000 23.30000 33.30000 na na na na | ||
| 73 Ta warn_IP2 0.32200 7.89000 na na na na na na na | ||
| 74 W warn_IP2 0.81500 7.98000 na na na na na na na | ||
| 75 Re warn_IP2 0.01500 7.88000 na na na na na na na | ||
| 76 Os warn_IP2 1.07780 8.70000 na na na na na na na | ||
| 77 Ir warn_IP2 1.56436 9.10000 na na na na na na na | ||
| 78 Pt warn_IP3 2.12510 9.00000 18.56300 na na na na na na | ||
| 79 Au warn_IP3 2.30861 9.22500 20.50000 na na na na na na | ||
| 80 Hg ok 0.00000 10.43700 18.75600 34.20000 na na na na na | ||
| 81 Tl ok 0.37700 6.10800 20.42800 29.83000 na na na na na | ||
| 82 Pb ok 0.36400 7.41600 15.03200 31.93700 42.32000 68.80000 na na na | ||
| 83 Bi ok 0.94236 7.28900 16.69000 25.56000 45.30000 56.00000 88.30000 na na | ||
| 84 Po warn_IP2 1.90000 8.42000 na na na na na na na |