mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-30 15:15:38 +01:00
839 lines
22 KiB
Plaintext
839 lines
22 KiB
Plaintext
SCANDIUM
|
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S 1
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1 3.7170000 1.0000000
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S 1
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1 1.0970000 1.0000000
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S 1
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1 0.4164000 1.0000000
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S 1
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1 0.0761000 1.0000000
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S 1
|
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1 0.0284000 1.0000000
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P 1
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1 10.4000000 1.0000000
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P 1
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1 1.3110000 1.0000000
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P 1
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1 0.4266000 1.0000000
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P 1
|
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1 0.0470000 1.0000000
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P 1
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1 0.0140000 1.0000000
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D 3
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1 15.1300000 0.0379291
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2 4.2050000 0.1738360
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3 1.3030000 0.4268057
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D 1
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1 0.3680000 1.0000000
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D 1
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1 0.0812000 1.0000000
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F 1
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1 1.3350000 1.0000000
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TITANIUM
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S 1
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1 4.3720000 1.0000000
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S 1
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1 1.0980000 1.0000000
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S 1
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1 0.4178000 1.0000000
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S 1
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1 0.0872000 1.0000000
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S 1
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1 0.0314000 1.0000000
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P 1
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1 12.5200000 1.0000000
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P 1
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1 1.4910000 1.0000000
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P 1
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1 0.4859000 1.0000000
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P 1
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1 0.0530000 1.0000000
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P 1
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1 0.0160000 1.0000000
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D 3
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1 20.2100000 0.0341682
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2 5.4950000 0.1710005
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3 1.6990000 0.4405849
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D 1
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1 0.4840000 1.0000000
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D 1
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1 0.1157000 1.0000000
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F 1
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1 1.5060000 1.0000000
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VANADIUM
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S 1
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1 4.5900000 1.0000000
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S 1
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1 1.4930000 1.0000000
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S 1
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1 0.5570000 1.0000000
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S 1
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1 0.0975000 1.0000000
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S 1
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1 0.0342000 1.0000000
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P 1
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1 13.7600000 1.0000000
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P 1
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1 1.7120000 1.0000000
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P 1
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1 0.5587000 1.0000000
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P 1
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1 0.0590000 1.0000000
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P 1
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1 0.0180000 1.0000000
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D 3
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1 25.7000000 0.0331033
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2 6.5300000 0.1795753
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3 2.0780000 0.4373062
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D 1
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1 0.6243000 1.0000000
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D 1
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1 0.1542000 1.0000000
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F 1
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1 1.7510000 1.0000000
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CHROMIUM
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S 1
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1 5.3610000 1.0000000
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S 1
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1 1.4490000 1.0000000
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S 1
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1 0.5496000 1.0000000
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S 1
|
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1 0.1052000 1.0000000
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S 1
|
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1 0.0364000 1.0000000
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P 1
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1 16.4200000 1.0000000
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P 1
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1 1.9140000 1.0000000
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P 1
|
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1 0.6241000 1.0000000
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P 1
|
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1 0.0630000 1.0000000
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P 1
|
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1 0.0190000 1.0000000
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D 3
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1 28.9500000 0.0337787
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2 7.7080000 0.1780345
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3 2.4950000 0.4370008
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D 1
|
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1 0.7655000 1.0000000
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D 1
|
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1 0.1889000 1.0000000
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F 1
|
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1 1.9410000 1.0000000
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|
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MANGANESE
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S 1
|
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1 5.9140000 1.0000000
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S 1
|
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1 1.6050000 1.0000000
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S 1
|
|
1 0.6260000 1.0000000
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S 1
|
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1 0.1115000 1.0000000
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S 1
|
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1 0.0380000 1.0000000
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P 1
|
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1 18.2000000 1.0000000
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P 1
|
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1 2.1410000 1.0000000
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P 1
|
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1 0.7009000 1.0000000
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P 1
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1 0.0690000 1.0000000
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P 1
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1 0.0210000 1.0000000
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D 3
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1 32.2700000 0.0341580
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2 8.8750000 0.1761105
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3 2.8900000 0.4394298
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D 1
|
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1 0.8761000 1.0000000
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D 1
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1 0.2120000 1.0000000
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F 1
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1 2.1950000 1.0000000
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IRON
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S 1
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1 6.4220000 1.0000000
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S 1
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1 1.8260000 1.0000000
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S 1
|
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1 0.7135000 1.0000000
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S 1
|
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1 0.1021000 1.0000000
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S 1
|
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1 0.0363000 1.0000000
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P 1
|
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1 19.4800000 1.0000000
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P 1
|
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1 2.3890000 1.0000000
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P 1
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1 0.7795000 1.0000000
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P 1
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1 0.0740000 1.0000000
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P 1
|
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1 0.0220000 1.0000000
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D 3
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1 37.0800000 0.0329000
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2 10.1000000 0.1787418
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3 3.2200000 0.4487657
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D 1
|
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1 0.9628000 1.0000000
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D 1
|
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1 0.2262000 1.0000000
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F 1
|
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1 2.4620000 1.0000000
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|
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COBALT
|
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S 1
|
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1 7.1760000 1.0000000
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S 1
|
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1 2.0090000 1.0000000
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S 1
|
|
1 0.8055000 1.0000000
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S 1
|
|
1 0.1070000 1.0000000
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S 1
|
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1 0.0375000 1.0000000
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P 1
|
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1 21.3900000 1.0000000
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P 1
|
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1 2.6500000 1.0000000
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P 1
|
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1 0.8619000 1.0000000
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|
P 1
|
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1 0.0800000 1.0000000
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|
P 1
|
|
1 0.0230000 1.0000000
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|
D 3
|
|
1 39.2500000 0.0361541
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2 10.7800000 0.1896744
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3 3.4960000 0.4524981
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|
D 1
|
|
1 1.0660000 1.0000000
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|
D 1
|
|
1 0.2606000 1.0000000
|
|
F 1
|
|
1 2.7800000 1.0000000
|
|
|
|
NICKEL
|
|
S 1
|
|
1 7.6200000 1.0000000
|
|
S 1
|
|
1 2.2940000 1.0000000
|
|
S 1
|
|
1 0.8760000 1.0000000
|
|
S 1
|
|
1 0.1153000 1.0000000
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|
S 1
|
|
1 0.0396000 1.0000000
|
|
P 1
|
|
1 23.6600000 1.0000000
|
|
P 1
|
|
1 2.8930000 1.0000000
|
|
P 1
|
|
1 0.9435000 1.0000000
|
|
P 1
|
|
1 0.0840000 1.0000000
|
|
P 1
|
|
1 0.0240000 1.0000000
|
|
D 3
|
|
1 42.7200000 0.0372699
|
|
2 11.7600000 0.1956103
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|
3 3.8170000 0.4561273
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|
D 1
|
|
1 1.1690000 1.0000000
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|
D 1
|
|
1 0.2836000 1.0000000
|
|
F 1
|
|
1 3.1300000 1.0000000
|
|
|
|
COPPER
|
|
S 1
|
|
1 8.1760000 1.0000000
|
|
S 1
|
|
1 2.5680000 1.0000000
|
|
S 1
|
|
1 0.9587000 1.0000000
|
|
S 1
|
|
1 0.1153000 1.0000000
|
|
S 1
|
|
1 0.0396000 1.0000000
|
|
P 1
|
|
1 25.6300000 1.0000000
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|
P 1
|
|
1 3.1660000 1.0000000
|
|
P 1
|
|
1 1.0230000 1.0000000
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|
P 1
|
|
1 0.0860000 1.0000000
|
|
P 1
|
|
1 0.0240000 1.0000000
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|
D 3
|
|
1 41.3400000 0.0465424
|
|
2 11.4200000 0.2227824
|
|
3 3.8390000 0.4539059
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|
D 1
|
|
1 1.2300000 1.0000000
|
|
D 1
|
|
1 0.3102000 1.0000000
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F 1
|
|
1 3.5250000 1.0000000
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|
|
|
YTTRIUM
|
|
S 1
|
|
1 1.7510000 1.0000000
|
|
S 1
|
|
1 1.1430000 1.0000000
|
|
S 1
|
|
1 0.3581000 1.0000000
|
|
S 1
|
|
1 0.1058000 1.0000000
|
|
S 1
|
|
1 0.0318000 1.0000000
|
|
P 1
|
|
1 3.8840000 1.0000000
|
|
P 1
|
|
1 0.7660000 1.0000000
|
|
P 1
|
|
1 0.2890000 1.0000000
|
|
P 1
|
|
1 0.0629000 1.0000000
|
|
P 1
|
|
1 0.0223000 1.0000000
|
|
D 2
|
|
1 1.5230000 0.1074843
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2 0.5634000 0.4563954
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D 1
|
|
1 0.1834000 1.0000000
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D 1
|
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1 0.0569000 1.0000000
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F 1
|
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1 0.8350000 1.0000000
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|
|
|
ZIRCONIUM
|
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S 1
|
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1 1.9760000 1.0000000
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S 1
|
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1 1.1540000 1.0000000
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S 1
|
|
1 0.3910000 1.0000000
|
|
S 1
|
|
1 0.1001000 1.0000000
|
|
S 1
|
|
1 0.0334000 1.0000000
|
|
P 1
|
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1 4.1920000 1.0000000
|
|
P 1
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1 0.8764000 1.0000000
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|
P 1
|
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1 0.2972000 1.0000000
|
|
P 1
|
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1 0.0724000 1.0000000
|
|
P 1
|
|
1 0.0243000 1.0000000
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|
D 2
|
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1 2.2690000 0.0599741
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2 0.7855000 0.4734158
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D 1
|
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1 0.2615000 1.0000000
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D 1
|
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1 0.0802000 1.0000000
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F 1
|
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1 0.8750000 1.0000000
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NIOBIUM
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S 1
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1 2.1820000 1.0000000
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S 1
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1 1.2090000 1.0000000
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S 1
|
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1 0.4165000 1.0000000
|
|
S 1
|
|
1 0.1454000 1.0000000
|
|
S 1
|
|
1 0.0392000 1.0000000
|
|
P 1
|
|
1 4.5190000 1.0000000
|
|
P 1
|
|
1 0.9406000 1.0000000
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|
P 1
|
|
1 0.3492000 1.0000000
|
|
P 1
|
|
1 0.0752000 1.0000000
|
|
P 1
|
|
1 0.0247000 1.0000000
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D 2
|
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1 3.4660000 0.0315983
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2 0.9938000 0.4834306
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|
D 1
|
|
1 0.3350000 1.0000000
|
|
D 1
|
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1 0.1024000 1.0000000
|
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F 1
|
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1 0.9520000 1.0000000
|
|
|
|
MOLYBDENUM
|
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S 1
|
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1 2.3610000 1.0000000
|
|
S 1
|
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1 1.3090000 1.0000000
|
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S 1
|
|
1 0.4500000 1.0000000
|
|
S 1
|
|
1 0.1681000 1.0000000
|
|
S 1
|
|
1 0.0423000 1.0000000
|
|
P 1
|
|
1 4.8950000 1.0000000
|
|
P 1
|
|
1 1.0440000 1.0000000
|
|
P 1
|
|
1 0.3877000 1.0000000
|
|
P 1
|
|
1 0.0780000 1.0000000
|
|
P 1
|
|
1 0.0247000 1.0000000
|
|
D 2
|
|
1 2.9930000 0.0527063
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2 1.0630000 0.5003907
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D 1
|
|
1 0.3721000 1.0000000
|
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D 1
|
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1 0.1178000 1.0000000
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F 1
|
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1 1.0430000 1.0000000
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|
|
TECHNETIUM
|
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S 1
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1 2.3420000 1.0000000
|
|
S 1
|
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1 1.6340000 1.0000000
|
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S 1
|
|
1 0.5094000 1.0000000
|
|
S 1
|
|
1 0.1706000 1.0000000
|
|
S 1
|
|
1 0.0435000 1.0000000
|
|
P 1
|
|
1 5.2780000 1.0000000
|
|
P 1
|
|
1 1.1560000 1.0000000
|
|
P 1
|
|
1 0.4302000 1.0000000
|
|
P 1
|
|
1 0.0895000 1.0000000
|
|
P 1
|
|
1 0.0246000 1.0000000
|
|
D 2
|
|
1 4.6320000 0.0268724
|
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2 1.2790000 0.5073089
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D 1
|
|
1 0.4425000 1.0000000
|
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D 1
|
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1 0.1364000 1.0000000
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F 1
|
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1 1.1340000 1.0000000
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|
RUTHENIUM
|
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S 1
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1 2.5650000 1.0000000
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S 1
|
|
1 1.5080000 1.0000000
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S 1
|
|
1 0.5129000 1.0000000
|
|
S 1
|
|
1 0.1362000 1.0000000
|
|
S 1
|
|
1 0.0417000 1.0000000
|
|
P 1
|
|
1 4.8590000 1.0000000
|
|
P 1
|
|
1 1.2190000 1.0000000
|
|
P 1
|
|
1 0.4413000 1.0000000
|
|
P 1
|
|
1 0.0830000 1.0000000
|
|
P 1
|
|
1 0.0250000 1.0000000
|
|
D 2
|
|
1 4.1950000 0.0485729
|
|
2 1.3770000 0.5105223
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|
D 1
|
|
1 0.4828000 1.0000000
|
|
D 1
|
|
1 0.1501000 1.0000000
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|
F 1
|
|
1 1.2350000 1.0000000
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|
|
|
RHODIUM
|
|
S 1
|
|
1 2.6460000 1.0000000
|
|
S 1
|
|
1 1.7510000 1.0000000
|
|
S 1
|
|
1 0.5713000 1.0000000
|
|
S 1
|
|
1 0.1438000 1.0000000
|
|
S 1
|
|
1 0.0428000 1.0000000
|
|
P 1
|
|
1 5.4400000 1.0000000
|
|
P 1
|
|
1 1.3290000 1.0000000
|
|
P 1
|
|
1 0.4845000 1.0000000
|
|
P 1
|
|
1 0.0869000 1.0000000
|
|
P 1
|
|
1 0.0257000 1.0000000
|
|
D 2
|
|
1 3.6690000 0.0760059
|
|
2 1.4230000 0.5158852
|
|
D 1
|
|
1 0.5091000 1.0000000
|
|
D 1
|
|
1 0.1610000 1.0000000
|
|
F 1
|
|
1 1.3500000 1.0000000
|
|
|
|
PALLADIUM
|
|
S 1
|
|
1 2.7870000 1.0000000
|
|
S 1
|
|
1 1.9650000 1.0000000
|
|
S 1
|
|
1 0.6243000 1.0000000
|
|
S 1
|
|
1 0.1496000 1.0000000
|
|
S 1
|
|
1 0.0436000 1.0000000
|
|
P 1
|
|
1 5.9990000 1.0000000
|
|
P 1
|
|
1 1.4430000 1.0000000
|
|
P 1
|
|
1 0.5264000 1.0000000
|
|
P 1
|
|
1 0.0899000 1.0000000
|
|
P 1
|
|
1 0.0262000 1.0000000
|
|
D 2
|
|
1 6.0910000 0.0376146
|
|
2 1.7190000 0.5200479
|
|
D 1
|
|
1 0.6056000 1.0000000
|
|
D 1
|
|
1 0.1883000 1.0000000
|
|
F 1
|
|
1 1.4720000 1.0000000
|
|
|
|
SILVER
|
|
S 1
|
|
1 2.9500000 1.0000000
|
|
S 1
|
|
1 2.1490000 1.0000000
|
|
S 1
|
|
1 0.6684000 1.0000000
|
|
S 1
|
|
1 0.0997000 1.0000000
|
|
S 1
|
|
1 0.0347000 1.0000000
|
|
P 1
|
|
1 6.5530000 1.0000000
|
|
P 1
|
|
1 1.5650000 1.0000000
|
|
P 1
|
|
1 0.5748000 1.0000000
|
|
P 1
|
|
1 0.0833000 1.0000000
|
|
P 1
|
|
1 0.0252000 1.0000000
|
|
D 2
|
|
1 3.3910000 0.1396938
|
|
2 1.5990000 0.4744421
|
|
D 1
|
|
1 0.6282000 1.0000000
|
|
D 1
|
|
1 0.2108000 1.0000000
|
|
F 1
|
|
1 1.6110000 1.0000000
|
|
|
|
LANTHANUM
|
|
S 1
|
|
1 0.9167000 1.0000000
|
|
S 1
|
|
1 0.7427000 1.0000000
|
|
S 1
|
|
1 0.2237000 1.0000000
|
|
S 1
|
|
1 0.0792000 1.0000000
|
|
S 1
|
|
1 0.0239000 1.0000000
|
|
P 1
|
|
1 1.5540000 1.0000000
|
|
P 1
|
|
1 0.5622000 1.0000000
|
|
P 1
|
|
1 0.2125000 1.0000000
|
|
P 1
|
|
1 0.0483000 1.0000000
|
|
P 1
|
|
1 0.0179000 1.0000000
|
|
D 1
|
|
1 0.4524000 1.0000000
|
|
D 1
|
|
1 0.1602000 1.0000000
|
|
D 1
|
|
1 0.0531000 1.0000000
|
|
F 1
|
|
1 0.5910000 1.0000000
|
|
|
|
HAFNIUM
|
|
S 1
|
|
1 1.9500000 1.0000000
|
|
S 1
|
|
1 1.1830000 1.0000000
|
|
S 1
|
|
1 0.3897000 1.0000000
|
|
S 1
|
|
1 0.1656000 1.0000000
|
|
S 1
|
|
1 0.0424000 1.0000000
|
|
P 1
|
|
1 1.9720000 1.0000000
|
|
P 1
|
|
1 1.3540000 1.0000000
|
|
P 1
|
|
1 0.3427000 1.0000000
|
|
P 1
|
|
1 0.0804000 1.0000000
|
|
P 1
|
|
1 0.0274000 1.0000000
|
|
D 1
|
|
1 0.8226000 1.0000000
|
|
D 1
|
|
1 0.2585000 1.0000000
|
|
D 1
|
|
1 0.0762000 1.0000000
|
|
F 1
|
|
1 0.7840000 1.0000000
|
|
|
|
TANTALUM
|
|
S 1
|
|
1 2.0440000 1.0000000
|
|
S 1
|
|
1 1.2670000 1.0000000
|
|
S 1
|
|
1 0.4157000 1.0000000
|
|
S 1
|
|
1 0.1671000 1.0000000
|
|
S 1
|
|
1 0.0482000 1.0000000
|
|
P 1
|
|
1 2.5650000 1.0000000
|
|
P 1
|
|
1 1.2290000 1.0000000
|
|
P 1
|
|
1 0.4244000 1.0000000
|
|
P 1
|
|
1 0.0840000 1.0000000
|
|
P 1
|
|
1 0.0280000 1.0000000
|
|
D 1
|
|
1 0.8948000 1.0000000
|
|
D 1
|
|
1 0.2989000 1.0000000
|
|
D 1
|
|
1 0.0935000 1.0000000
|
|
F 1
|
|
1 0.7900000 1.0000000
|
|
|
|
TUNGSTEN
|
|
S 1
|
|
1 2.1370000 1.0000000
|
|
S 1
|
|
1 1.3470000 1.0000000
|
|
S 1
|
|
1 0.4366000 1.0000000
|
|
S 1
|
|
1 0.1883000 1.0000000
|
|
S 1
|
|
1 0.0518000 1.0000000
|
|
P 1
|
|
1 3.0050000 1.0000000
|
|
P 1
|
|
1 1.2280000 1.0000000
|
|
P 1
|
|
1 0.4010000 1.0000000
|
|
P 1
|
|
1 0.0900000 1.0000000
|
|
P 1
|
|
1 0.0280000 1.0000000
|
|
D 1
|
|
1 0.9519000 1.0000000
|
|
D 1
|
|
1 0.3270000 1.0000000
|
|
D 1
|
|
1 0.1054000 1.0000000
|
|
F 1
|
|
1 0.8230000 1.0000000
|
|
|
|
RHENIUM
|
|
S 1
|
|
1 2.1850000 1.0000000
|
|
S 1
|
|
1 1.4510000 1.0000000
|
|
S 1
|
|
1 0.4585000 1.0000000
|
|
S 1
|
|
1 0.2314000 1.0000000
|
|
S 1
|
|
1 0.0566000 1.0000000
|
|
P 1
|
|
1 3.3580000 1.0000000
|
|
P 1
|
|
1 1.2710000 1.0000000
|
|
P 1
|
|
1 0.4644000 1.0000000
|
|
P 1
|
|
1 0.0890000 1.0000000
|
|
P 1
|
|
1 0.0280000 1.0000000
|
|
D 1
|
|
1 1.1160000 1.0000000
|
|
D 1
|
|
1 0.4267000 1.0000000
|
|
D 1
|
|
1 0.1378000 1.0000000
|
|
F 1
|
|
1 0.8690000 1.0000000
|
|
|
|
OSMIUM
|
|
S 1
|
|
1 2.2220000 1.0000000
|
|
S 1
|
|
1 1.4960000 1.0000000
|
|
S 1
|
|
1 0.4774000 1.0000000
|
|
S 1
|
|
1 0.2437000 1.0000000
|
|
S 1
|
|
1 0.0583000 1.0000000
|
|
P 1
|
|
1 2.5180000 1.0000000
|
|
P 1
|
|
1 1.4600000 1.0000000
|
|
P 1
|
|
1 0.4923000 1.0000000
|
|
P 1
|
|
1 0.0980000 1.0000000
|
|
P 1
|
|
1 0.0290000 1.0000000
|
|
D 1
|
|
1 1.1830000 1.0000000
|
|
D 1
|
|
1 0.4492000 1.0000000
|
|
D 1
|
|
1 0.1463000 1.0000000
|
|
F 1
|
|
1 0.8860000 1.0000000
|
|
|
|
IRIDIUM
|
|
S 1
|
|
1 2.3500000 1.0000000
|
|
S 1
|
|
1 1.5820000 1.0000000
|
|
S 1
|
|
1 0.5018000 1.0000000
|
|
S 1
|
|
1 0.2500000 1.0000000
|
|
S 1
|
|
1 0.0598000 1.0000000
|
|
P 1
|
|
1 2.7920000 1.0000000
|
|
P 1
|
|
1 1.5410000 1.0000000
|
|
P 1
|
|
1 0.5100000 1.0000000
|
|
P 1
|
|
1 0.0980000 1.0000000
|
|
P 1
|
|
1 0.0290000 1.0000000
|
|
D 1
|
|
1 1.2400000 1.0000000
|
|
D 1
|
|
1 0.4647000 1.0000000
|
|
D 1
|
|
1 0.1529000 1.0000000
|
|
F 1
|
|
1 0.9380000 1.0000000
|
|
|
|
PLATINUM
|
|
S 1
|
|
1 2.5470000 1.0000000
|
|
S 1
|
|
1 1.6140000 1.0000000
|
|
S 1
|
|
1 0.5167000 1.0000000
|
|
S 1
|
|
1 0.2651000 1.0000000
|
|
S 1
|
|
1 0.0580000 1.0000000
|
|
P 1
|
|
1 2.9110000 1.0000000
|
|
P 1
|
|
1 1.8360000 1.0000000
|
|
P 1
|
|
1 0.5982000 1.0000000
|
|
P 1
|
|
1 0.0996000 1.0000000
|
|
P 1
|
|
1 0.0290000 1.0000000
|
|
D 1
|
|
1 1.2430000 1.0000000
|
|
D 1
|
|
1 0.4271000 1.0000000
|
|
D 1
|
|
1 0.1370000 1.0000000
|
|
F 1
|
|
1 0.9930000 1.0000000
|
|
|
|
GOLD
|
|
S 1
|
|
1 2.8090000 1.0000000
|
|
S 1
|
|
1 1.5950000 1.0000000
|
|
S 1
|
|
1 0.5327000 1.0000000
|
|
S 1
|
|
1 0.2826000 1.0000000
|
|
S 1
|
|
1 0.0598000 1.0000000
|
|
P 1
|
|
1 3.6840000 1.0000000
|
|
P 1
|
|
1 1.6660000 1.0000000
|
|
P 1
|
|
1 0.5989000 1.0000000
|
|
P 1
|
|
1 0.0977000 1.0000000
|
|
P 1
|
|
1 0.0279000 1.0000000
|
|
D 1
|
|
1 1.2870000 1.0000000
|
|
D 1
|
|
1 0.4335000 1.0000000
|
|
D 1
|
|
1 0.1396000 1.0000000
|
|
F 1
|
|
1 1.0500000 1.0000000
|
|
|
|
|