mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-14 10:03:47 +01:00
497 lines
16 KiB
Plaintext
497 lines
16 KiB
Plaintext
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SCANDIUM
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S 6
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1 188961.0000000 0.0002500
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2 28491.4000000 0.0019300
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3 6572.4300000 0.0098000
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4 1881.0300000 0.0394000
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5 617.9790000 0.1253200
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6 225.1270000 0.2957700
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S 2
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1 88.5664000 0.4190000
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2 36.5819000 0.2413900
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S 1
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1 11.0358000 1.0000000
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S 1
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1 4.4906300 1.0000000
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S 1
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1 1.1293500 1.0000000
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S 1
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1 0.4546130 1.0000000
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S 1
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1 0.0775330 1.0000000
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S 1
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1 0.0307900 1.0000000
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P 3
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1 1113.8200000 0.0022300
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2 266.2440000 0.0176400
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3 86.5763000 0.0812300
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P 3
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1 32.5934000 0.2404000
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2 13.2190000 0.4251700
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3 5.5835700 0.3597200
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P 1
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1 2.1859400 1.0000000
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P 2
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1 0.8950110 0.5760200
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2 0.3519750 0.3089000
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P 1
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1 0.1346200 1.0000000
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P 1
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1 0.0465480 1.0000000
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D 3
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1 22.4283000 0.0214000
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2 6.0347900 0.1130400
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3 1.9790500 0.3139300
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D 1
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1 0.6667500 1.0000000
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D 1
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1 0.2182310 1.0000000
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D 1
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1 0.0588000 1.0000000
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F 3
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1 0.8918597 0.1737857
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2 0.3198414 0.5973381
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3 0.1369599 0.3929396
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TITANIUM
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S 6
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1 206082.0000000 0.0002500
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2 31226.8000000 0.0019300
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3 7199.3200000 0.0098800
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4 2048.7500000 0.0399400
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5 670.7900000 0.1273700
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6 243.6500000 0.2998100
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S 2
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1 95.9250000 0.4182500
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2 39.8101000 0.2358200
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S 1
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1 12.2205000 1.0000000
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S 1
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1 5.0088200 1.0000000
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S 1
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1 1.2856900 1.0000000
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S 1
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1 0.5128060 1.0000000
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S 1
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1 0.0855760 1.0000000
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S 1
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1 0.0333020 1.0000000
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P 3
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1 1264.7000000 0.0021400
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2 301.2300000 0.0172500
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3 96.9777000 0.0811700
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P 3
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1 36.3727000 0.2414300
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2 14.7814000 0.4263100
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3 6.2746500 0.3571400
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P 1
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1 2.4787800 1.0000000
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P 2
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1 1.0161800 0.5770900
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2 0.3981620 0.2998600
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P 1
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1 0.1523400 1.0000000
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P 1
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1 0.0510800 1.0000000
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D 3
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1 25.9924000 0.0225300
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2 7.0863400 0.1196100
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3 2.3487100 0.3270000
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D 1
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1 0.8001980 1.0000000
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D 1
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1 0.2620490 1.0000000
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D 1
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1 0.0720000 1.0000000
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F 3
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1 1.3935308 0.1737857
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2 0.4997522 0.5973381
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3 0.2139998 0.3929396
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VANADIUM
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S 6
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1 226878.0000000 0.0002500
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2 33899.6000000 0.0019700
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3 7720.2400000 0.0101700
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4 2191.5300000 0.0409800
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5 719.1690000 0.1298000
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6 262.0860000 0.3025900
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S 2
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1 103.6530000 0.4163700
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2 43.2548000 0.2313300
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S 1
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1 13.5088000 1.0000000
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S 1
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1 5.5671500 1.0000000
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S 1
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1 1.4517400 1.0000000
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S 1
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1 0.5744450 1.0000000
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S 1
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1 0.0928200 1.0000000
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S 1
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1 0.0355320 1.0000000
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P 3
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1 1398.4300000 0.0021400
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2 331.5710000 0.0173500
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3 107.0020000 0.0812800
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P 3
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1 40.3183000 0.2413000
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2 16.4635000 0.4262200
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3 7.0235200 0.3557800
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P 1
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1 2.7902500 1.0000000
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P 2
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1 1.1460900 0.5769300
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2 0.4472720 0.2947000
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P 1
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1 0.1668720 1.0000000
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P 1
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1 0.0545670 1.0000000
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D 3
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1 30.2212000 0.0227000
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2 8.2721800 0.1224800
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3 2.7582300 0.3328600
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D 1
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1 0.9421370 1.0000000
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D 1
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1 0.3052980 1.0000000
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D 1
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1 0.0820000 1.0000000
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F 3
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1 2.0066843 0.1737857
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2 0.7196432 0.5973381
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3 0.3081598 0.3929396
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CHROMIUM
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S 6
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1 236658.0000000 0.0002700
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2 35364.0000000 0.0020800
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3 8058.3100000 0.0107100
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4 2294.2300000 0.0428400
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5 756.1180000 0.1342000
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6 277.0000000 0.3079800
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S 2
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1 110.1790000 0.4136100
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2 46.3710000 0.2224100
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S 1
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1 14.8215000 1.0000000
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S 1
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1 6.1326200 1.0000000
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S 1
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1 1.6295900 1.0000000
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S 1
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1 0.6411770 1.0000000
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S 1
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1 0.0995110 1.0000000
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S 1
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1 0.0375880 1.0000000
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P 3
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1 1478.7700000 0.0022800
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2 351.4900000 0.0183600
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3 113.8260000 0.0850300
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P 3
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1 43.1567000 0.2476100
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2 17.7775000 0.4271800
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3 7.6612800 0.3457900
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P 1
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1 3.0776500 1.0000000
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P 2
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1 1.2661900 0.5749000
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2 0.4935340 0.2847300
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P 1
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1 0.1810100 1.0000000
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P 1
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1 0.0579200 1.0000000
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D 3
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1 34.0221000 0.0232800
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2 9.4316100 0.1256400
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3 3.1591800 0.3389700
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D 1
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1 1.0799500 1.0000000
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D 1
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1 0.3465820 1.0000000
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D 1
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1 0.0912000 1.0000000
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F 3
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1 2.7313203 0.1737857
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2 0.9795143 0.5973381
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3 0.4194397 0.3929396
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MANGANESE
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S 6
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1 243694.0000000 0.0002900
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2 35995.0000000 0.0022500
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3 8223.5600000 0.0115200
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4 2353.1200000 0.0455900
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5 780.9650000 0.1403900
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6 288.5190000 0.3147200
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S 2
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1 115.7010000 0.4097400
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2 49.1175000 0.2107900
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S 1
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1 16.0885000 1.0000000
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S 1
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1 6.7043000 1.0000000
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S 1
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1 1.8051700 1.0000000
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S 1
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1 0.7030110 1.0000000
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S 1
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1 0.1063850 1.0000000
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S 1
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1 0.0396160 1.0000000
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P 3
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1 1500.3900000 0.0025800
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2 358.8000000 0.0204800
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3 116.6990000 0.0929300
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P 3
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1 44.6132000 0.2607400
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2 18.5985000 0.4288900
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3 8.1377800 0.3259800
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P 1
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1 3.3373400 1.0000000
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P 2
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1 1.3789500 0.5693500
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2 0.5386390 0.2735400
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P 1
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1 0.1914750 1.0000000
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P 1
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1 0.0604200 1.0000000
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D 3
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1 37.8977000 0.0240900
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2 10.5201000 0.1307300
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3 3.5376400 0.3464800
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D 1
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1 1.2121700 1.0000000
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D 1
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1 0.3879120 1.0000000
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D 1
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1 0.1054000 1.0000000
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F 3
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1 3.5674388 0.1737857
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2 1.2793657 0.5973381
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3 0.5478396 0.3929396
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IRON
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S 6
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1 257539.0000000 0.0002900
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2 38636.9000000 0.0022600
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3 8891.4400000 0.0115200
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4 2544.0100000 0.0456600
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5 844.7770000 0.1403500
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6 312.5270000 0.3142000
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S 2
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1 125.5930000 0.4087800
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2 53.4987000 0.2116300
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S 1
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1 17.7151000 1.0000000
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S 1
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1 7.3767700 1.0000000
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S 1
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1 2.0184700 1.0000000
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S 1
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1 0.7799350 1.0000000
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S 1
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1 0.1142200 1.0000000
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S 1
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1 0.0418890 1.0000000
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P 3
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1 1678.4000000 0.0024900
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2 396.3920000 0.0201500
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3 128.5880000 0.0919900
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P 3
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1 49.1158000 0.2599100
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2 20.5035000 0.4288700
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3 8.9871200 0.3269100
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P 1
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1 3.6824900 1.0000000
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P 2
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1 1.5217500 0.5692500
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2 0.5926840 0.2686300
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P 1
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1 0.2023700 1.0000000
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P 1
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1 0.0627600 1.0000000
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D 3
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1 41.4526000 0.0251100
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2 11.5403000 0.1362600
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3 3.8854300 0.3532300
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D 1
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1 1.3238000 1.0000000
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D 1
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1 0.4166800 1.0000000
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D 1
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1 0.1133000 1.0000000
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F 3
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1 4.5150397 0.1737857
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2 1.6191972 0.5973381
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3 0.6933595 0.3929396
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COBALT
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S 6
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|
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1 270991.0000000 0.0003100
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2 39734.8000000 0.0024200
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3 9057.4600000 0.0123800
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4 2598.2100000 0.0484900
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5 868.2000000 0.1467200
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6 323.4310000 0.3212700
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S 2
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1 130.8600000 0.4049700
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|
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2 56.1219000 0.1996100
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S 1
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|
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1 18.9219000 1.0000000
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|
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S 1
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|
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1 7.9523800 1.0000000
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S 1
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|
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1 2.1975400 1.0000000
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S 1
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|
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1 0.8467130 1.0000000
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S 1
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1 0.1222660 1.0000000
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S 1
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1 0.0441720 1.0000000
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P 3
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1 1636.2100000 0.0029600
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2 390.9030000 0.0233600
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3 127.8840000 0.1034300
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P 3
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1 49.2413000 0.2795400
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2 20.7512000 0.4326800
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3 9.2036800 0.2986100
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P 1
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1 3.8177900 1.0000000
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P 2
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1 1.5876200 0.5562500
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2 0.6246600 0.2434500
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P 1
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1 0.2119620 1.0000000
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P 1
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1 0.0651030 1.0000000
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D 3
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1 44.9774000 0.0262700
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2 12.5690000 0.1418200
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3 4.2442200 0.3594200
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D 1
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1 1.4433000 1.0000000
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D 1
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1 0.4499650 1.0000000
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D 1
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1 0.1219000 1.0000000
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F 3
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1 5.5741231 0.1737857
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2 1.9990089 0.5973381
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3 0.8559993 0.3929396
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NICKEL
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S 6
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1 284878.0000000 0.0003200
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2 41997.9000000 0.0024600
|
||
|
|
3 9627.6700000 0.0125400
|
||
|
|
4 2761.9600000 0.0492600
|
||
|
|
5 920.4880000 0.1495000
|
||
|
|
6 341.8050000 0.3264000
|
||
|
|
S 2
|
||
|
|
1 138.0230000 0.4047400
|
||
|
|
2 59.2587000 0.1918600
|
||
|
|
S 1
|
||
|
|
1 20.3712000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 8.5940000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.3941700 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.9181690 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1301760 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0463920 1.0000000
|
||
|
|
P 3
|
||
|
|
1 1774.1800000 0.0029500
|
||
|
|
2 423.4030000 0.0233700
|
||
|
|
3 138.3110000 0.1040600
|
||
|
|
P 3
|
||
|
|
1 53.1703000 0.2822600
|
||
|
|
2 22.3874000 0.4348600
|
||
|
|
3 9.9284800 0.2944200
|
||
|
|
P 1
|
||
|
|
1 4.1162500 1.0000000
|
||
|
|
P 2
|
||
|
|
1 1.7103100 0.5527300
|
||
|
|
2 0.6725280 0.2344100
|
||
|
|
P 1
|
||
|
|
1 0.2198820 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0666700 1.0000000
|
||
|
|
D 3
|
||
|
|
1 48.9403000 0.0270600
|
||
|
|
2 13.7169000 0.1459800
|
||
|
|
3 4.6395100 0.3641800
|
||
|
|
D 1
|
||
|
|
1 1.5743300 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4864090 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1316000 1.0000000
|
||
|
|
F 3
|
||
|
|
1 6.7446890 0.1737857
|
||
|
|
2 2.4188007 0.5973381
|
||
|
|
3 1.0357592 0.3929396
|
||
|
|
|
||
|
|
COPPER
|
||
|
|
S 6
|
||
|
|
1 337200.0000000 0.0002800
|
||
|
|
2 50072.9000000 0.0021700
|
||
|
|
3 11373.4000000 0.0112200
|
||
|
|
4 3239.8200000 0.0446210
|
||
|
|
5 1071.9700000 0.1383600
|
||
|
|
6 395.0990000 0.3125500
|
||
|
|
S 2
|
||
|
|
1 158.3990000 0.4106000
|
||
|
|
2 67.3591000 0.2145300
|
||
|
|
S 1
|
||
|
|
1 22.2983000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 9.3935700 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.5784800 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.9640800 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1133030 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0407910 1.0000000
|
||
|
|
P 3
|
||
|
|
1 2245.2900000 0.0022600
|
||
|
|
2 532.1060000 0.0184100
|
||
|
|
3 172.1950000 0.0864600
|
||
|
|
P 3
|
||
|
|
1 65.3239000 0.2545000
|
||
|
|
2 27.0551000 0.4341900
|
||
|
|
3 11.7435000 0.3339000
|
||
|
|
P 1
|
||
|
|
1 4.6938200 1.0000000
|
||
|
|
P 2
|
||
|
|
1 1.9066700 0.5693600
|
||
|
|
2 0.7114450 0.2470200
|
||
|
|
P 1
|
||
|
|
1 0.2325980 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0692990 1.0000000
|
||
|
|
D 3
|
||
|
|
1 48.5439000 0.0309700
|
||
|
|
2 13.5490000 0.1619600
|
||
|
|
3 4.5162800 0.3781200
|
||
|
|
D 1
|
||
|
|
1 1.4732900 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4148750 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1491000 1.0000000
|
||
|
|
F 3
|
||
|
|
1 8.0267373 0.1737857
|
||
|
|
2 2.8785728 0.5973381
|
||
|
|
3 1.2326390 0.3929396
|
||
|
|
|
||
|
|
|