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mirror of https://github.com/pfloos/quack synced 2024-11-05 05:33:50 +01:00
QuAcK/basis/uncontracted_3_partridge

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2020-01-17 13:57:03 +01:00
LITHIUM
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BERYLLIUM
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BORON
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CARBON
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P 1
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P 1
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P 1
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NITROGEN
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P 1
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P 1
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P 1
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P 1
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P 1
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OXYGEN
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S 1
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FLUORINE
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P 1
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P 1
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P 1
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NEON
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S 1
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S 1
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S 1
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S 1
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S 1
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P 1
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P 1
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P 1
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SODIUM
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S 1
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S 1
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P 1
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MAGNESIUM
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P 1
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P 1
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P 1
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P 1
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P 1
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ALUMINUM
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P 1
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P 1
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P 1
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P 1
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SILICON
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P 1
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P 1
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PHOSPHORUS
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P 1
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SULFUR
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P 1
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P 1
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P 1
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P 1
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P 1
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CHLORINE
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S 1
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P 1
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P 1
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P 1
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P 1
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P 1
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P 1
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P 1
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ARGON
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P 1
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P 1
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POTASSIUM
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P 1
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P 1
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P 1
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P 1
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P 1
1 6.4274280 1.0000000
P 1
1 3.3846750 1.0000000
P 1
1 1.7531060 1.0000000
P 1
1 0.8891290 1.0000000
P 1
1 0.4410140 1.0000000
P 1
1 0.2140050 1.0000000
P 1
1 0.0924910 1.0000000
CALCIUM
S 1
1 12937860.0000000 1.0000000
S 1
1 1929970.0000000 1.0000000
S 1
1 436987.2000000 1.0000000
S 1
1 123202.1000000 1.0000000
S 1
1 40067.3900000 1.0000000
S 1
1 14439.2000000 1.0000000
S 1
1 5626.6750000 1.0000000
S 1
1 2332.8260000 1.0000000
S 1
1 1017.3910000 1.0000000
S 1
1 462.7811000 1.0000000
S 1
1 218.0470000 1.0000000
S 1
1 105.8595000 1.0000000
S 1
1 52.6634400 1.0000000
S 1
1 26.4941100 1.0000000
S 1
1 12.5101900 1.0000000
S 1
1 6.2671810 1.0000000
S 1
1 3.1573510 1.0000000
S 1
1 1.4320540 1.0000000
S 1
1 0.6939050 1.0000000
S 1
1 0.3258990 1.0000000
S 1
1 0.0827260 1.0000000
S 1
1 0.0410270 1.0000000
S 1
1 0.0196170 1.0000000
P 1
1 406353.1000000 1.0000000
P 1
1 13600.7200000 1.0000000
P 1
1 3235.4720000 1.0000000
P 1
1 1053.0530000 1.0000000
P 1
1 403.5688000 1.0000000
P 1
1 171.4896000 1.0000000
P 1
1 78.2362700 1.0000000
P 1
1 37.6065200 1.0000000
P 1
1 18.7090400 1.0000000
P 1
1 9.5004140 1.0000000
P 1
1 4.9055670 1.0000000
P 1
1 2.5267010 1.0000000
P 1
1 1.2713850 1.0000000
P 1
1 0.6260090 1.0000000
P 1
1 0.3009940 1.0000000
P 1
1 0.1240860 1.0000000
SCANDIUM
S 1
1 13927590.0000000 1.0000000
S 1
1 2086917.0000000 1.0000000
S 1
1 475144.6000000 1.0000000
S 1
1 134641.3000000 1.0000000
S 1
1 43943.3800000 1.0000000
S 1
1 15869.9700000 1.0000000
S 1
1 6192.0560000 1.0000000
S 1
1 2569.4390000 1.0000000
S 1
1 1121.4760000 1.0000000
S 1
1 510.6065000 1.0000000
S 1
1 240.8825000 1.0000000
S 1
1 117.1282000 1.0000000
S 1
1 58.3733900 1.0000000
S 1
1 29.4380800 1.0000000
S 1
1 14.0454600 1.0000000
S 1
1 7.0800770 1.0000000
S 1
1 3.5858720 1.0000000
S 1
1 1.6417160 1.0000000
S 1
1 0.7988950 1.0000000
S 1
1 0.3753940 1.0000000
S 1
1 0.0978420 1.0000000
S 1
1 0.0476940 1.0000000
S 1
1 0.0222310 1.0000000
P 1
1 27510.3100000 1.0000000
P 1
1 6301.3180000 1.0000000
P 1
1 2000.0000000 1.0000000
P 1
1 752.6106000 1.0000000
P 1
1 315.7498000 1.0000000
P 1
1 142.8340000 1.0000000
P 1
1 68.2976300 1.0000000
P 1
1 34.0522300 1.0000000
P 1
1 17.4351100 1.0000000
P 1
1 9.0902000 1.0000000
P 1
1 4.7983400 1.0000000
P 1
1 2.5066100 1.0000000
P 1
1 1.2830890 1.0000000
P 1
1 0.6453510 1.0000000
P 1
1 0.3147680 1.0000000
P 1
1 0.1270800 1.0000000
D 1
1 73.6135800 1.0000000
D 1
1 21.7894100 1.0000000
D 1
1 7.9328860 1.0000000
D 1
1 3.1888610 1.0000000
D 1
1 1.3447130 1.0000000
D 1
1 0.5624040 1.0000000
D 1
1 0.2280190 1.0000000
D 1
1 0.0853090 1.0000000
TITANIUM
S 1
1 15697450.0000000 1.0000000
S 1
1 2350021.0000000 1.0000000
S 1
1 534780.9000000 1.0000000
S 1
1 151482.2000000 1.0000000
S 1
1 49424.5900000 1.0000000
S 1
1 17845.5600000 1.0000000
S 1
1 6961.7060000 1.0000000
S 1
1 2888.4680000 1.0000000
S 1
1 1260.6230000 1.0000000
S 1
1 573.9151000 1.0000000
S 1
1 270.7213000 1.0000000
S 1
1 131.6256000 1.0000000
S 1
1 65.6085200 1.0000000
S 1
1 33.1011900 1.0000000
S 1
1 15.7037400 1.0000000
S 1
1 7.9354850 1.0000000
S 1
1 4.0261850 1.0000000
S 1
1 1.8546340 1.0000000
S 1
1 0.9009600 1.0000000
S 1
1 0.4218510 1.0000000
S 1
1 0.1086180 1.0000000
S 1
1 0.0520830 1.0000000
S 1
1 0.0239620 1.0000000
P 1
1 25537.3300000 1.0000000
P 1
1 6042.2430000 1.0000000
P 1
1 1962.6530000 1.0000000
P 1
1 751.7338000 1.0000000
P 1
1 319.8833000 1.0000000
P 1
1 146.4300000 1.0000000
P 1
1 70.7486100 1.0000000
P 1
1 35.5908800 1.0000000
P 1
1 18.3689300 1.0000000
P 1
1 9.6586550 1.0000000
P 1
1 5.1367300 1.0000000
P 1
1 2.6988720 1.0000000
P 1
1 1.3897030 1.0000000
P 1
1 0.7031630 1.0000000
P 1
1 0.3441230 1.0000000
P 1
1 0.1378320 1.0000000
D 1
1 89.6253500 1.0000000
D 1
1 26.6010800 1.0000000
D 1
1 9.7776280 1.0000000
D 1
1 3.9646590 1.0000000
D 1
1 1.6904130 1.0000000
D 1
1 0.7160900 1.0000000
D 1
1 0.2939220 1.0000000
D 1
1 0.1108270 1.0000000
VANADIUM
S 1
1 17228890.0000000 1.0000000
S 1
1 2579749.0000000 1.0000000
S 1
1 587081.5000000 1.0000000
S 1
1 166293.3000000 1.0000000
S 1
1 54256.9100000 1.0000000
S 1
1 19591.1000000 1.0000000
S 1
1 7643.1650000 1.0000000
S 1
1 3171.4540000 1.0000000
S 1
1 1384.2350000 1.0000000
S 1
1 630.2472000 1.0000000
S 1
1 297.3331000 1.0000000
S 1
1 144.5935000 1.0000000
S 1
1 72.0961600 1.0000000
S 1
1 36.4022600 1.0000000
S 1
1 17.3074200 1.0000000
S 1
1 8.7727730 1.0000000
S 1
1 4.4620890 1.0000000
S 1
1 2.0652240 1.0000000
S 1
1 1.0017650 1.0000000
S 1
1 0.4678570 1.0000000
S 1
1 0.1188420 1.0000000
S 1
1 0.0561260 1.0000000
S 1
1 0.0255420 1.0000000
P 1
1 28563.3200000 1.0000000
P 1
1 6757.1910000 1.0000000
P 1
1 2194.6520000 1.0000000
P 1
1 840.5257000 1.0000000
P 1
1 357.6666000 1.0000000
P 1
1 163.7534000 1.0000000
P 1
1 79.1446600 1.0000000
P 1
1 39.8385800 1.0000000
P 1
1 20.5853600 1.0000000
P 1
1 10.8430700 1.0000000
P 1
1 5.7779690 1.0000000
P 1
1 3.0431700 1.0000000
P 1
1 1.5702390 1.0000000
P 1
1 0.7949750 1.0000000
P 1
1 0.3889800 1.0000000
P 1
1 0.1564640 1.0000000
D 1
1 104.0286000 1.0000000
D 1
1 30.9268800 1.0000000
D 1
1 11.4307200 1.0000000
D 1
1 4.6617630 1.0000000
D 1
1 1.9983200 1.0000000
D 1
1 0.8504400 1.0000000
D 1
1 0.3497640 1.0000000
D 1
1 0.1316710 1.0000000
CHROMIUM
S 1
1 18273400.0000000 1.0000000
S 1
1 2736169.0000000 1.0000000
S 1
1 622721.5000000 1.0000000
S 1
1 176403.1000000 1.0000000
S 1
1 57557.1200000 1.0000000
S 1
1 20782.0500000 1.0000000
S 1
1 8107.2140000 1.0000000
S 1
1 3363.6970000 1.0000000
S 1
1 1467.9890000 1.0000000
S 1
1 668.3000000 1.0000000
S 1
1 315.2450000 1.0000000
S 1
1 153.2895000 1.0000000
S 1
1 76.4313000 1.0000000
S 1
1 38.6244500 1.0000000
S 1
1 18.4522900 1.0000000
S 1
1 9.3682850 1.0000000
S 1
1 4.7709900 1.0000000
S 1
1 2.1955980 1.0000000
S 1
1 1.0522080 1.0000000
S 1
1 0.4815670 1.0000000
S 1
1 0.1174470 1.0000000
S 1
1 0.0559040 1.0000000
S 1
1 0.0252330 1.0000000
P 1
1 21337.7900000 1.0000000
P 1
1 5049.4980000 1.0000000
P 1
1 1640.1310000 1.0000000
P 1
1 627.9602000 1.0000000
P 1
1 266.8501000 1.0000000
P 1
1 121.8754000 1.0000000
P 1
1 58.7085600 1.0000000
P 1
1 29.3272500 1.0000000
P 1
1 14.9964900 1.0000000
P 1
1 7.8050300 1.0000000
P 1
1 4.0493280 1.0000000
P 1
1 2.0563890 1.0000000
P 1
1 1.0157240 1.0000000
P 1
1 0.4844630 1.0000000
P 1
1 0.2035720 1.0000000
D 1
1 317.6249000 1.0000000
D 1
1 95.2146500 1.0000000
D 1
1 36.7953200 1.0000000
D 1
1 15.9388600 1.0000000
D 1
1 7.3309550 1.0000000
D 1
1 3.5220990 1.0000000
D 1
1 1.7073720 1.0000000
D 1
1 0.8147770 1.0000000
D 1
1 0.3775320 1.0000000
D 1
1 0.1678180 1.0000000
D 1
1 0.0699560 1.0000000
MANGANESE
S 1
1 20494330.0000000 1.0000000
S 1
1 3068261.0000000 1.0000000
S 1
1 698199.6000000 1.0000000
S 1
1 197762.5000000 1.0000000
S 1
1 64522.8300000 1.0000000
S 1
1 23296.8400000 1.0000000
S 1
1 9088.3160000 1.0000000
S 1
1 3770.8310000 1.0000000
S 1
1 1645.7300000 1.0000000
S 1
1 749.2773000 1.0000000
S 1
1 353.5033000 1.0000000
S 1
1 171.9383000 1.0000000
S 1
1 85.7660400 1.0000000
S 1
1 43.3589300 1.0000000
S 1
1 20.6950300 1.0000000
S 1
1 10.5385400 1.0000000
S 1
1 5.3783990 1.0000000
S 1
1 2.5040180 1.0000000
S 1
1 1.2097670 1.0000000
S 1
1 0.5618840 1.0000000
S 1
1 0.1379880 1.0000000
S 1
1 0.0636060 1.0000000
S 1
1 0.0284420 1.0000000
P 1
1 35002.4600000 1.0000000
P 1
1 8281.6630000 1.0000000
P 1
1 2690.0150000 1.0000000
P 1
1 1030.3250000 1.0000000
P 1
1 438.5246000 1.0000000
P 1
1 200.8793000 1.0000000
P 1
1 97.1700000 1.0000000
P 1
1 48.9755000 1.0000000
P 1
1 25.3633200 1.0000000
P 1
1 13.4014500 1.0000000
P 1
1 7.1645600 1.0000000
P 1
1 3.7878590 1.0000000
P 1
1 1.9603500 1.0000000
P 1
1 0.9928560 1.0000000
P 1
1 0.4854840 1.0000000
P 1
1 0.1972410 1.0000000
D 1
1 133.6941000 1.0000000
D 1
1 39.8351100 1.0000000
D 1
1 14.8335500 1.0000000
D 1
1 6.1003410 1.0000000
D 1
1 2.6324000 1.0000000
D 1
1 1.1254840 1.0000000
D 1
1 0.4629440 1.0000000
D 1
1 0.1734490 1.0000000
IRON
S 1
1 22200400.0000000 1.0000000
S 1
1 3325132.0000000 1.0000000
S 1
1 756943.4000000 1.0000000
S 1
1 214470.4000000 1.0000000
S 1
1 69992.6200000 1.0000000
S 1
1 25277.4300000 1.0000000
S 1
1 9862.8390000 1.0000000
S 1
1 4092.8820000 1.0000000
S 1
1 1786.5710000 1.0000000
S 1
1 813.5370000 1.0000000
S 1
1 383.8988000 1.0000000
S 1
1 186.7722000 1.0000000
S 1
1 93.2030700 1.0000000
S 1
1 47.1554300 1.0000000
S 1
1 22.5407100 1.0000000
S 1
1 11.5027100 1.0000000
S 1
1 5.8794570 1.0000000
S 1
1 2.7447730 1.0000000
S 1
1 1.3258470 1.0000000
S 1
1 0.6149610 1.0000000
S 1
1 0.1506190 1.0000000
S 1
1 0.0685020 1.0000000
S 1
1 0.0302770 1.0000000
P 1
1 38282.0500000 1.0000000
P 1
1 9061.5560000 1.0000000
P 1
1 2944.4500000 1.0000000
P 1
1 1128.1580000 1.0000000
P 1
1 480.3380000 1.0000000
P 1
1 220.1368000 1.0000000
P 1
1 106.5482000 1.0000000
P 1
1 53.7426200 1.0000000
P 1
1 27.8631800 1.0000000
P 1
1 14.7438200 1.0000000
P 1
1 7.8933510 1.0000000
P 1
1 4.1794970 1.0000000
P 1
1 2.1656690 1.0000000
P 1
1 1.0972400 1.0000000
P 1
1 0.5360850 1.0000000
P 1
1 0.2176040 1.0000000
D 1
1 145.7437000 1.0000000
D 1
1 43.4526800 1.0000000
D 1
1 16.2017900 1.0000000
D 1
1 6.6777600 1.0000000
D 1
1 2.8788930 1.0000000
D 1
1 1.2248270 1.0000000
D 1
1 0.4987280 1.0000000
D 1
1 0.1842680 1.0000000
COBALT
S 1
1 24075750.0000000 1.0000000
S 1
1 3604823.0000000 1.0000000
S 1
1 820360.6000000 1.0000000
S 1
1 232379.2000000 1.0000000
S 1
1 75821.4100000 1.0000000
S 1
1 27377.7300000 1.0000000
S 1
1 10680.7600000 1.0000000
S 1
1 4431.7160000 1.0000000
S 1
1 1934.2330000 1.0000000
S 1
1 880.6771000 1.0000000
S 1
1 415.5464000 1.0000000
S 1
1 202.1596000 1.0000000
S 1
1 100.8837000 1.0000000
S 1
1 51.0585300 1.0000000
S 1
1 24.4513700 1.0000000
S 1
1 12.4971600 1.0000000
S 1
1 6.3943160 1.0000000
S 1
1 2.9918150 1.0000000
S 1
1 1.4436700 1.0000000
S 1
1 0.6683340 1.0000000
S 1
1 0.1624500 1.0000000
S 1
1 0.0730730 1.0000000
S 1
1 0.0319850 1.0000000
P 1
1 41961.4000000 1.0000000
P 1
1 9928.3060000 1.0000000
P 1
1 3224.9710000 1.0000000
P 1
1 1235.2930000 1.0000000
P 1
1 525.8469000 1.0000000
P 1
1 240.9762000 1.0000000
P 1
1 116.6418000 1.0000000
P 1
1 58.8483400 1.0000000
P 1
1 30.5291000 1.0000000
P 1
1 16.1694300 1.0000000
P 1
1 8.6642360 1.0000000
P 1
1 4.5919430 1.0000000
P 1
1 2.3810480 1.0000000
P 1
1 1.2062460 1.0000000
P 1
1 0.5888220 1.0000000
P 1
1 0.2391340 1.0000000
D 1
1 159.5563000 1.0000000
D 1
1 47.6020400 1.0000000
D 1
1 17.7792500 1.0000000
D 1
1 7.3446080 1.0000000
D 1
1 3.1668510 1.0000000
D 1
1 1.3441420 1.0000000
D 1
1 0.5441440 1.0000000
D 1
1 0.1993190 1.0000000
NICKEL
S 1
1 25983870.0000000 1.0000000
S 1
1 3890234.0000000 1.0000000
S 1
1 885337.5000000 1.0000000
S 1
1 250791.2000000 1.0000000
S 1
1 81827.5300000 1.0000000
S 1
1 29545.2000000 1.0000000
S 1
1 11525.8100000 1.0000000
S 1
1 4782.1330000 1.0000000
S 1
1 2087.0970000 1.0000000
S 1
1 950.2591000 1.0000000
S 1
1 448.3854000 1.0000000
S 1
1 218.1483000 1.0000000
S 1
1 108.8779000 1.0000000
S 1
1 55.1290900 1.0000000
S 1
1 26.4411400 1.0000000
S 1
1 13.5331900 1.0000000
S 1
1 6.9301460 1.0000000
S 1
1 3.2469050 1.0000000
S 1
1 1.5649260 1.0000000
S 1
1 0.7229780 1.0000000
S 1
1 0.1740430 1.0000000
S 1
1 0.0774220 1.0000000
S 1
1 0.0336110 1.0000000
P 1
1 45066.6200000 1.0000000
P 1
1 10662.6400000 1.0000000
P 1
1 3463.4310000 1.0000000
P 1
1 1326.6240000 1.0000000
P 1
1 564.7414000 1.0000000
P 1
1 258.8288000 1.0000000
P 1
1 125.3115000 1.0000000
P 1
1 63.2423300 1.0000000
P 1
1 32.8240600 1.0000000
P 1
1 17.3969200 1.0000000
P 1
1 9.3243940 1.0000000
P 1
1 4.9388390 1.0000000
P 1
1 2.5620250 1.0000000
P 1
1 1.2992940 1.0000000
P 1
1 0.6346780 1.0000000
P 1
1 0.2570860 1.0000000
D 1
1 378.3807000 1.0000000
D 1
1 113.5157000 1.0000000
D 1
1 43.8357100 1.0000000
D 1
1 18.9048500 1.0000000
D 1
1 8.6932550 1.0000000
D 1
1 4.1269720 1.0000000
D 1
1 1.9467090 1.0000000
D 1
1 0.8936870 1.0000000
D 1
1 0.3919570 1.0000000
D 1
1 0.1572730 1.0000000
COPPER
S 1
1 26448990.0000000 1.0000000
S 1
1 3954373.0000000 1.0000000
S 1
1 898801.5000000 1.0000000
S 1
1 254395.7000000 1.0000000
S 1
1 82974.4100000 1.0000000
S 1
1 29956.4000000 1.0000000
S 1
1 11686.8600000 1.0000000
S 1
1 4849.4280000 1.0000000
S 1
1 2116.5640000 1.0000000
S 1
1 963.6234000 1.0000000
S 1
1 454.6030000 1.0000000
S 1
1 221.0992000 1.0000000
S 1
1 110.2877000 1.0000000
S 1
1 55.8541400 1.0000000
S 1
1 27.0300900 1.0000000
S 1
1 13.8289300 1.0000000
S 1
1 7.0810410 1.0000000
S 1
1 3.2915490 1.0000000
S 1
1 1.5632460 1.0000000
S 1
1 0.7067020 1.0000000
S 1
1 0.1424250 1.0000000
S 1
1 0.0638040 1.0000000
S 1
1 0.0280900 1.0000000
P 1
1 33073.5200000 1.0000000
P 1
1 7827.0200000 1.0000000
P 1
1 2542.4460000 1.0000000
P 1
1 973.6580000 1.0000000
P 1
1 414.0197000 1.0000000
P 1
1 189.3389000 1.0000000
P 1
1 91.3880600 1.0000000
P 1
1 45.8021800 1.0000000
P 1
1 23.5399900 1.0000000
P 1
1 12.3092100 1.0000000
P 1
1 6.4065700 1.0000000
P 1
1 3.2619470 1.0000000
P 1
1 1.6134650 1.0000000
P 1
1 0.7679120 1.0000000
P 1
1 0.3191150 1.0000000
D 1
1 0.1769810 1.0000000
D 1
1 0.5180840 1.0000000
D 1
1 1.3489770 1.0000000
D 1
1 3.2793690 1.0000000
D 1
1 7.7312460 1.0000000
D 1
1 18.7870300 1.0000000
D 1
1 50.4815200 1.0000000
D 1
1 169.2545000 1.0000000
ZINC
S 1
1 29563910.0000000 1.0000000
S 1
1 4432605.0000000 1.0000000
S 1
1 1009744.0000000 1.0000000
S 1
1 286234.7000000 1.0000000
S 1
1 93444.7100000 1.0000000
S 1
1 33755.1600000 1.0000000
S 1
1 13173.1200000 1.0000000
S 1
1 5467.4180000 1.0000000
S 1
1 2386.9110000 1.0000000
S 1
1 1087.0970000 1.0000000
S 1
1 513.1307000 1.0000000
S 1
1 249.7557000 1.0000000
S 1
1 124.7304000 1.0000000
S 1
1 63.2422100 1.0000000
S 1
1 30.4516300 1.0000000
S 1
1 15.6255800 1.0000000
S 1
1 8.0157260 1.0000000
S 1
1 3.7666320 1.0000000
S 1
1 1.8116430 1.0000000
S 1
1 0.8342890 1.0000000
S 1
1 0.1969080 1.0000000
S 1
1 0.0859580 1.0000000
S 1
1 0.0367090 1.0000000
P 1
1 52867.9300000 1.0000000
P 1
1 12511.7900000 1.0000000
P 1
1 4065.2860000 1.0000000
P 1
1 1557.5950000 1.0000000
P 1
1 663.2892000 1.0000000
P 1
1 304.1561000 1.0000000
P 1
1 147.3680000 1.0000000
P 1
1 74.4546900 1.0000000
P 1
1 38.7149300 1.0000000
P 1
1 20.5702200 1.0000000
P 1
1 11.0542500 1.0000000
P 1
1 5.8746610 1.0000000
P 1
1 3.0529360 1.0000000
P 1
1 1.5472250 1.0000000
P 1
1 0.7541510 1.0000000
P 1
1 0.3068730 1.0000000
D 1
1 205.5981000 1.0000000
D 1
1 61.4459300 1.0000000
D 1
1 23.0564300 1.0000000
D 1
1 9.5777560 1.0000000
D 1
1 4.1336090 1.0000000
D 1
1 1.7473240 1.0000000
D 1
1 0.6994270 1.0000000
D 1
1 0.2515470 1.0000000