mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-18 19:32:20 +01:00
312 lines
8.4 KiB
Plaintext
312 lines
8.4 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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D 1
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1 0.0250000 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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D 1
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1 0.0349000 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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D 1
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1 0.0464000 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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D 1
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1 0.0587000 1.0000000
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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
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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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D 1
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1 0.0670000 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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D 1
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1 0.0706000 1.0000000
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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
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1 0.8055000 1.0000000
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S 1
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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
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1 0.0230000 1.0000000
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D 3
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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
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1 1.0660000 1.0000000
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D 1
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1 0.2606000 1.0000000
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D 1
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1 0.0822000 1.0000000
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NICKEL
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S 1
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1 7.6200000 1.0000000
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S 1
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1 2.2940000 1.0000000
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S 1
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1 0.8760000 1.0000000
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S 1
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1 0.1153000 1.0000000
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S 1
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1 0.0396000 1.0000000
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P 1
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1 23.6600000 1.0000000
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P 1
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1 2.8930000 1.0000000
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P 1
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1 0.9435000 1.0000000
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P 1
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1 0.0840000 1.0000000
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P 1
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1 0.0240000 1.0000000
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D 3
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1 42.7200000 0.0372699
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2 11.7600000 0.1956103
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3 3.8170000 0.4561273
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D 1
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1 1.1690000 1.0000000
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D 1
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1 0.2836000 1.0000000
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D 1
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1 0.0898000 1.0000000
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COPPER
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S 1
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1 8.1760000 1.0000000
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S 1
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1 2.5680000 1.0000000
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S 1
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1 0.9587000 1.0000000
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S 1
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1 0.1153000 1.0000000
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S 1
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1 0.0396000 1.0000000
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P 1
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1 25.6300000 1.0000000
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P 1
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1 3.1660000 1.0000000
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P 1
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1 1.0230000 1.0000000
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P 1
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1 0.0860000 1.0000000
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P 1
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1 0.0240000 1.0000000
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D 3
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1 41.3400000 0.0465424
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2 11.4200000 0.2227824
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3 3.8390000 0.4539059
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D 1
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1 1.2300000 1.0000000
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D 1
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1 0.3102000 1.0000000
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D 1
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1 0.1010000 1.0000000
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ZINC
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S 1
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1 0.7997000 1.0000000
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S 1
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1 0.1752000 1.0000000
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S 1
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1 0.0556000 1.0000000
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P 1
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1 0.1202000 1.0000000
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P 1
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1 0.0351000 1.0000000
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D 3
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1 68.8500000 0.0258532
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2 18.3200000 0.1651195
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3 5.9220000 0.4468212
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D 1
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1 1.9270000 1.0000000
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D 1
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1 0.5528000 1.0000000
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D 1
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1 0.1700000 1.0000000
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