mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-26 06:21:45 +02:00
1961 lines
36 KiB
Plaintext
1961 lines
36 KiB
Plaintext
HYDROGEN
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S 6
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1 6.359201 -0.004943
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2 3.546637 0.049579
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3 1.493442 0.037176
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4 0.551948 0.287908
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5 0.207203 0.009543
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6 0.079234 0.770084
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S 6
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1 6.359201 -0.016672
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2 3.546637 -0.005774
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3 1.493442 -0.227982
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4 0.551948 -0.285652
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5 0.207203 -1.071579
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6 0.079234 1.423767
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S 6
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1 6.359201 -0.018886
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2 3.546637 -0.058854
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3 1.493442 -0.556988
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4 0.551948 -1.084022
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5 0.207203 2.721525
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6 0.079234 -1.458091
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S 1
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1 0.102700 1.000000
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P 1
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1 1.407000 1.000000
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P 1
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1 0.388000 1.000000
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D 1
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1 1.057000 1.000000
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CARBON
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S 9
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1 13.073594 0.0051583
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2 6.541187 0.0603424
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3 4.573411 -0.1978471
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4 1.637494 -0.0810340
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5 0.819297 0.2321726
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6 0.409924 0.2914643
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7 0.231300 0.4336405
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8 0.102619 0.2131940
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9 0.051344 0.0049848
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S 1
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1 0.921552 1.000000
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S 1
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1 0.132800 1.000000
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P 9
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1 9.934169 0.0209076
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2 3.886955 0.0572698
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3 1.871016 0.1122682
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4 0.935757 0.2130082
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5 0.468003 0.2835815
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6 0.239473 0.3011207
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7 0.117063 0.2016934
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8 0.058547 0.0453575
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9 0.029281 0.0029775
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P 1
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1 0.376742 1.000000
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P 1
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1 0.126772 1.000000
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D 1
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1 1.141611 1.000000
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D 1
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1 0.329486 1.000000
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F 1
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1 0.773485 1.000000
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CHLORINE
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S 10
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1 0.122096 0.175451
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2 0.289394 0.607210
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3 0.657228 0.465346
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4 1.167709 -0.079460
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5 2.719209 -0.339622
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6 5.564288 0.092975
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7 11.667080 -0.010906
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8 25.009418 -0.000807
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9 53.798061 -0.000189
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10 99.938947 0.000063
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S 1
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1 0.188703 1.000
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S 1
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1 1.003905 1.000
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P 10
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1 0.075272 0.093475
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2 0.177298 0.343672
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3 0.389880 0.404212
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4 0.775457 0.251867
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5 1.391339 0.073840
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6 3.017894 -0.068164
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7 6.140684 0.014679
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8 12.639835 0.000722
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9 26.439040 -0.001040
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10 52.945707 -0.000037
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P 1
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1 0.122186 1.000
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P 1
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1 0.341503 1.000
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D 1
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1 0.361259 1.000
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D 1
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1 1.165615 1.000
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F 1
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1 0.721855 1.000
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COBALT
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S 13
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1 90.138338 0.000870
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2 46.360154 -0.012889
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3 23.733997 0.114398
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4 14.381697 -0.098019
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5 8.774183 -0.352394
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6 4.485868 -0.094570
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7 2.536663 0.500662
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8 1.239271 0.608796
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9 0.599131 0.189026
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10 0.224507 0.005508
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11 0.124709 -0.000242
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12 0.060740 -0.000070
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13 0.028274 0.000031
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S 13
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1 90.138338 -0.000171
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2 46.360154 0.002859
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3 23.733997 -0.027465
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4 14.381697 0.026028
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5 8.774183 0.087563
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6 4.485868 0.018143
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7 2.536663 -0.134608
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8 1.239271 -0.233508
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9 0.599131 -0.163697
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10 0.224507 0.120841
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11 0.124709 0.394955
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12 0.060740 0.509928
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13 0.028274 0.150457
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S 13
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1 90.138338 -0.000093
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2 46.360154 0.004385
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3 23.733997 -0.052442
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4 14.381697 0.044798
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5 8.774183 0.213744
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6 4.485868 -0.005708
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7 2.536663 -0.327530
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8 1.239271 -0.679295
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9 0.599131 0.252601
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10 0.224507 1.215183
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11 0.124709 0.250644
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12 0.060740 -0.593655
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13 0.028274 -0.588728
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S 13
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1 90.138338 -0.000342
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2 46.360154 0.009084
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3 23.733997 -0.110827
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4 14.381697 0.131865
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5 8.774183 0.389649
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6 4.485868 -0.021196
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7 2.536663 -1.176422
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8 1.239271 -0.747459
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9 0.599131 2.309439
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10 0.224507 0.259142
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11 0.124709 -1.979997
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12 0.060740 0.123168
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13 0.028274 0.937568
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S 1
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1 0.028274 1.0
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S 1
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1 0.014 1.0
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P 13
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1 139.014951 0.000085
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2 71.647198 -0.000721
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3 37.453971 0.006545
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4 20.948358 -0.009990
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5 13.091607 -0.084075
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6 6.797915 0.009770
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7 3.804866 0.282493
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8 1.960048 0.436288
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9 1.003909 0.313331
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10 0.508607 0.089041
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11 0.234227 0.007472
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12 0.083922 0.000983
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13 0.040103 0.000275
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P 13
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1 139.014951 0.000025
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2 71.647198 -0.000075
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3 37.453971 -0.000603
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4 20.948358 0.000027
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5 13.091607 0.022667
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6 6.797915 -0.011149
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7 3.804866 -0.056513
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8 1.960048 -0.127222
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9 1.003909 -0.059476
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10 0.508607 -0.037982
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11 0.234227 0.352856
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12 0.083922 0.508744
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13 0.040103 0.292061
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P 13
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1 139.014951 -0.000240
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2 71.647198 0.001541
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3 37.453971 -0.009509
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4 20.948358 0.025569
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5 13.091607 0.060650
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6 6.797915 -0.016616
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7 3.804866 -0.429847
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8 1.960048 -0.412446
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9 1.003909 0.088445
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10 0.508607 1.072784
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11 0.234227 0.014565
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12 0.083922 -0.720502
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13 0.040103 -0.024392
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P 13
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1 139.014951 -0.000032
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2 71.647198 -0.000195
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3 37.453971 0.005702
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4 20.948358 -0.022947
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5 13.091607 -0.125808
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6 6.797915 0.144929
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7 3.804866 0.804637
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8 1.960048 0.233167
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9 1.003909 -1.665718
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10 0.508607 0.275574
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11 0.234227 1.339764
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12 0.083922 -0.879771
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13 0.040103 -0.132801
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P 1
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1 0.040103 1.0
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P 1
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1 0.019 1.0
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D 11
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1 160.454443 0.000034
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2 52.961426 0.006240
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3 27.614188 0.034177
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4 12.737767 0.082700
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5 6.178095 0.177253
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6 3.025327 0.264353
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7 1.472888 0.292424
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8 0.714500 0.249507
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9 0.348985 0.171514
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10 0.173869 0.082044
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11 0.086676 0.040249
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D 11
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1 160.454443 -0.000033
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2 52.961426 -0.007451
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3 27.614188 -0.039607
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4 12.737767 -0.100623
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5 6.178095 -0.216952
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6 3.025327 -0.284736
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7 1.472888 -0.128478
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8 0.714500 0.176611
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9 0.348985 0.374429
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10 0.173869 0.291413
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11 0.086676 0.196435
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D 11
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1 160.454443 0.000054
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2 52.961426 0.009948
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3 27.614188 0.052544
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4 12.737767 0.139860
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5 6.178095 0.306445
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6 3.025327 0.246555
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7 1.472888 -0.284006
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8 0.714500 -0.594724
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9 0.348985 -0.024539
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10 0.173869 0.360938
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11 0.086676 0.447303
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D 1
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1 0.086676 1.0
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D 1
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1 0.043 1.0
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F 1
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1 0.240278 1.0
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F 1
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1 0.974322 1.0
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F 1
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1 3.95085 1.0
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G 1
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1 0.828387 1.0
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G 1
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1 2.524816 1.0
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CHROMIUM
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S 13
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1 73.977737 0.000864
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2 37.684349 -0.011595
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3 19.278723 0.090467
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4 12.130763 -0.024837
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5 7.453002 -0.330407
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6 3.756296 -0.200598
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7 2.084137 0.449766
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8 0.993314 0.647575
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9 0.483094 0.229025
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10 0.225854 0.009217
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11 0.115338 0.001132
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12 0.052134 -0.000367
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13 0.023679 0.000092
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S 13
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1 73.977737 -0.000183
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2 37.684349 0.002704
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3 19.278723 -0.022650
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4 12.130763 0.007181
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5 7.453002 0.087705
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6 3.756296 0.047616
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7 2.084137 -0.125672
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8 0.993314 -0.244571
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9 0.483094 -0.198419
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10 0.225854 0.030889
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11 0.115338 0.423935
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12 0.052134 0.576941
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13 0.023679 0.148323
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S 13
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1 73.977737 -0.000327
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2 37.684349 0.005309
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3 19.278723 -0.046905
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4 12.130763 0.015411
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5 7.453002 0.191697
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6 3.756296 0.099759
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7 2.084137 -0.338994
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8 0.993314 -0.695806
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9 0.483094 -0.007315
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10 0.225854 1.118599
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11 0.115338 0.717257
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12 0.052134 -0.868565
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13 0.023679 -0.467186
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S 13
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1 73.977737 -0.000698
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2 37.684349 0.010207
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3 19.278723 -0.091261
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4 12.130763 0.052207
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5 7.453002 0.342164
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6 3.756296 0.174866
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7 2.084137 -0.994258
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8 0.993314 -1.190604
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9 0.483094 2.271834
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10 0.225854 1.003013
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11 0.115338 -2.605235
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12 0.052134 0.265158
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13 0.023679 0.902286
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S 1
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1 0.023679 1.0
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S 1
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1 0.011 1.0
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P 13
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1 101.951240 0.000088
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2 52.309865 -0.000747
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3 27.142574 0.007135
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4 15.066862 -0.014702
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5 9.693669 -0.073353
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6 4.985710 0.012007
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7 2.761266 0.283117
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8 1.417673 0.440786
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9 0.728201 0.306775
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10 0.378189 0.081804
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11 0.189359 0.008839
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12 0.072301 0.001022
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13 0.037471 0.000325
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P 13
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1 101.951240 0.000028
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2 52.309865 -0.000085
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3 27.142574 -0.000751
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4 15.066862 0.000844
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5 9.693669 0.022656
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6 4.985710 -0.012781
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7 2.761266 -0.062386
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8 1.417673 -0.143581
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9 0.728201 -0.062281
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10 0.378189 -0.054471
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11 0.189359 0.377135
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12 0.072301 0.471633
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13 0.037471 0.311624
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P 13
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1 101.951240 -0.000137
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2 52.309865 0.000932
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3 27.142574 -0.006845
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4 15.066862 0.019831
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5 9.693669 0.043647
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6 4.985710 -0.019289
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7 2.761266 -0.281187
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8 1.417673 -0.370298
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9 0.728201 -0.199873
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10 0.378189 1.028552
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11 0.189359 0.423711
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12 0.072301 -0.800926
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13 0.037471 -0.141910
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P 13
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1 101.951240 0.000027
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2 52.309865 0.000180
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3 27.142574 -0.005742
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4 15.066862 0.020419
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5 9.693669 0.100527
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6 4.985710 -0.100608
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7 2.761266 -0.607746
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8 1.417673 -0.601705
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9 0.728201 1.450905
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10 0.378189 0.672299
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11 0.189359 -1.904823
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12 0.072301 0.665814
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13 0.037471 0.348522
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P 1
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1 0.037471 1.0
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P 1
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1 0.018 1.0
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D 11
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1 120.683729 -0.000006
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2 42.646591 0.003111
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3 21.154405 0.028641
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4 9.708242 0.076222
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5 4.614990 0.170595
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6 2.243726 0.266908
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7 1.086491 0.311039
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8 0.524700 0.267312
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9 0.255752 0.163336
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10 0.121497 0.062782
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11 0.054339 0.007872
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D 11
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1 120.683729 0.000017
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2 42.646591 -0.003576
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3 21.154405 -0.031476
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4 9.708242 -0.087583
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5 4.614990 -0.195740
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6 2.243726 -0.270132
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7 1.086491 -0.170034
|
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8 0.524700 0.143412
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9 0.255752 0.408687
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10 0.121497 0.370257
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11 0.054339 0.123112
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D 11
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1 120.683729 0.000040
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2 42.646591 -0.005181
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3 21.154405 -0.043393
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4 9.708242 -0.127734
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5 4.614990 -0.282070
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6 2.243726 -0.288390
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7 1.086491 0.168269
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8 0.524700 0.673062
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9 0.255752 0.099196
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10 0.121497 -0.570612
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11 0.054339 -0.297197
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D 1
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1 0.054339 1.0
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D 1
|
|
1 0.026 1.0
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F 1
|
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1 0.133195 1.0
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F 1
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1 0.558910 1.0
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F 1
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1 2.34529 1.0
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G 1
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1 0.436321 1.0
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G 1
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1 1.422099 1.0
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FLUORINE
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S 9
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1 71.1739093 -0.0000571
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2 33.3990384 0.0003627
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3 15.6728186 0.0095329
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4 7.35462020 -0.1270651
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5 3.45122590 0.0115271
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6 1.61952080 0.2905840
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7 0.75997570 0.4485667
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8 0.35662590 0.3123056
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9 0.16735010 0.0656252
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S 1
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1 2.289795 1.000000
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S 1
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1 0.327712 1.000000
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P 9
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1 27.8630509 0.0037577
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2 13.6624747 0.0434953
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3 6.69931000 0.0930502
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4 3.28496520 0.1772930
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5 1.61076240 0.2617590
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6 0.78982740 0.2896868
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7 0.38728700 0.2433414
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8 0.18990380 0.1254957
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9 0.09311810 0.0268434
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P 1
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1 0.804181 1.000000
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P 1
|
|
1 0.243660 1.000000
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D 1
|
|
1 3.297425 1.000000
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D 1
|
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1 0.900763 1.000000
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F 1
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1 1.859274 1.000000
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IRON
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S 13
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1 84.322332 0.000785
|
|
2 44.203528 -0.012781
|
|
3 23.288963 0.104635
|
|
4 13.385163 -0.119385
|
|
5 7.518052 -0.339804
|
|
6 4.101835 -0.049994
|
|
7 2.253571 0.476955
|
|
8 1.134924 0.593222
|
|
9 0.561550 0.200151
|
|
10 0.201961 0.008591
|
|
11 0.108698 -0.002188
|
|
12 0.053619 0.000677
|
|
13 0.025823 -0.000144
|
|
S 13
|
|
1 84.322332 -0.000162
|
|
2 44.203528 0.002921
|
|
3 23.288963 -0.025466
|
|
4 13.385163 0.031182
|
|
5 7.518052 0.086849
|
|
6 4.101835 0.006846
|
|
7 2.253571 -0.131856
|
|
8 1.134924 -0.227746
|
|
9 0.561550 -0.173079
|
|
10 0.201961 0.136142
|
|
11 0.108698 0.434013
|
|
12 0.053619 0.477555
|
|
13 0.025823 0.128804
|
|
S 13
|
|
1 84.322332 0.000002
|
|
2 44.203528 0.004103
|
|
3 23.288963 -0.046840
|
|
4 13.385163 0.052833
|
|
5 7.518052 0.218094
|
|
6 4.101835 -0.044999
|
|
7 2.253571 -0.287386
|
|
8 1.134924 -0.713220
|
|
9 0.561550 0.249174
|
|
10 0.201961 1.299872
|
|
11 0.108698 0.192119
|
|
12 0.053619 -0.658616
|
|
13 0.025823 -0.521047
|
|
S 13
|
|
1 84.322332 0.000012
|
|
2 44.203528 0.007598
|
|
3 23.288963 -0.094133
|
|
4 13.385163 0.127655
|
|
5 7.518052 0.435598
|
|
6 4.101835 -0.147911
|
|
7 2.253571 -1.084477
|
|
8 1.134924 -0.887003
|
|
9 0.561550 2.449946
|
|
10 0.201961 0.167976
|
|
11 0.108698 -2.114668
|
|
12 0.053619 0.452579
|
|
13 0.025823 0.801444
|
|
S 1
|
|
1 0.025823 1.0
|
|
S 1
|
|
1 0.012 1.0
|
|
P 13
|
|
1 125.092775 0.000056
|
|
2 65.211589 -0.000572
|
|
3 34.437599 0.007388
|
|
4 18.930704 -0.028481
|
|
5 10.873415 -0.063005
|
|
6 6.012172 0.024855
|
|
7 3.372205 0.277474
|
|
8 1.768641 0.425386
|
|
9 0.914516 0.314145
|
|
10 0.460895 0.090422
|
|
11 0.204490 0.006977
|
|
12 0.074741 0.001154
|
|
13 0.035671 0.000303
|
|
P 13
|
|
1 125.092775 0.000025
|
|
2 65.211589 -0.000070
|
|
3 34.437599 -0.001042
|
|
4 18.930704 0.005127
|
|
5 10.873415 0.018404
|
|
6 6.012172 -0.014692
|
|
7 3.372205 -0.061307
|
|
8 1.768641 -0.128638
|
|
9 0.914516 -0.070637
|
|
10 0.460895 -0.016314
|
|
11 0.204490 0.380702
|
|
12 0.074741 0.523071
|
|
13 0.035671 0.235765
|
|
P 13
|
|
1 125.092775 -0.000197
|
|
2 65.211589 0.001251
|
|
3 34.437599 -0.009154
|
|
4 18.930704 0.038201
|
|
5 10.873415 0.043097
|
|
6 6.012172 -0.029475
|
|
7 3.372205 -0.426996
|
|
8 1.768641 -0.394840
|
|
9 0.914516 0.077230
|
|
10 0.460895 1.119881
|
|
11 0.204490 -0.066494
|
|
12 0.074741 -0.721583
|
|
13 0.035671 -0.005695
|
|
P 13
|
|
1 125.092775 0.000264
|
|
2 65.211589 -0.001076
|
|
3 34.437599 -0.002591
|
|
4 18.930704 0.035519
|
|
5 10.873415 0.119554
|
|
6 6.012172 -0.204714
|
|
7 3.372205 -0.760627
|
|
8 1.768641 -0.262740
|
|
9 0.914516 1.779030
|
|
10 0.460895 -0.462742
|
|
11 0.204490 -1.241030
|
|
12 0.074741 0.940987
|
|
13 0.035671 0.083496
|
|
P 1
|
|
1 0.035671 1.0
|
|
P 1
|
|
1 0.017 1.0
|
|
D 11
|
|
1 152.736742 0.000029
|
|
2 50.772485 0.005238
|
|
3 26.253589 0.029325
|
|
4 12.137022 0.074901
|
|
5 5.853719 0.163411
|
|
6 2.856224 0.251057
|
|
7 1.386132 0.287603
|
|
8 0.670802 0.251862
|
|
9 0.330280 0.186736
|
|
10 0.170907 0.093570
|
|
11 0.086794 0.073811
|
|
D 11
|
|
1 152.736742 -0.000026
|
|
2 50.772485 -0.006329
|
|
3 26.253589 -0.034398
|
|
4 12.137022 -0.091765
|
|
5 5.853719 -0.201592
|
|
6 2.856224 -0.283930
|
|
7 1.386132 -0.161981
|
|
8 0.670802 0.128822
|
|
9 0.330280 0.360160
|
|
10 0.170907 0.277592
|
|
11 0.086794 0.261403
|
|
D 11
|
|
1 152.736742 0.000051
|
|
2 50.772485 0.008769
|
|
3 26.253589 0.047921
|
|
4 12.137022 0.132475
|
|
5 5.853719 0.297279
|
|
6 2.856224 0.275018
|
|
7 1.386132 -0.222842
|
|
8 0.670802 -0.619067
|
|
9 0.330280 -0.076290
|
|
10 0.170907 0.256056
|
|
11 0.086794 0.541482
|
|
D 1
|
|
1 0.086794 1.0
|
|
D 1
|
|
1 0.04 1.0
|
|
F 1
|
|
1 0.200905 1.0
|
|
F 1
|
|
1 0.824745 1.0
|
|
F 1
|
|
1 3.385699 1.0
|
|
G 1
|
|
1 0.679723 1.0
|
|
G 1
|
|
1 2.137024 1.0
|
|
|
|
MANGANESE
|
|
S 13
|
|
1 76.015816 0.000992
|
|
2 39.287425 -0.014765
|
|
3 20.413997 0.120351
|
|
4 12.220632 -0.123547
|
|
5 7.180198 -0.319950
|
|
6 3.850598 -0.106021
|
|
7 2.142243 0.472317
|
|
8 1.049440 0.620499
|
|
9 0.508652 0.204890
|
|
10 0.192102 0.005983
|
|
11 0.108912 -0.000130
|
|
12 0.053405 -0.000175
|
|
13 0.025223 0.000059
|
|
S 13
|
|
1 76.015816 -0.000199
|
|
2 39.287425 0.003344
|
|
3 20.413997 -0.029317
|
|
4 12.220632 0.031960
|
|
5 7.180198 0.083084
|
|
6 3.850598 0.021364
|
|
7 2.142243 -0.129827
|
|
8 1.049440 -0.238808
|
|
9 0.508652 -0.180485
|
|
10 0.192102 0.109481
|
|
11 0.108912 0.404375
|
|
12 0.053405 0.517748
|
|
13 0.025223 0.148273
|
|
S 13
|
|
1 76.015816 -0.000091
|
|
2 39.287425 0.005358
|
|
3 20.413997 -0.058289
|
|
4 12.220632 0.056077
|
|
5 7.180198 0.227722
|
|
6 3.850598 -0.008293
|
|
7 2.142243 -0.320247
|
|
8 1.049440 -0.812449
|
|
9 0.508652 0.324723
|
|
10 0.192102 1.446872
|
|
11 0.108912 0.022988
|
|
12 0.053405 -0.677035
|
|
13 0.025223 -0.454415
|
|
S 13
|
|
1 76.015816 -0.000522
|
|
2 39.287425 0.011330
|
|
3 20.413997 -0.115565
|
|
4 12.220632 0.148466
|
|
5 7.180198 0.360618
|
|
6 3.850598 0.024570
|
|
7 2.142243 -1.167352
|
|
8 1.049440 -0.874860
|
|
9 0.508652 2.547289
|
|
10 0.192102 0.100010
|
|
11 0.108912 -2.213201
|
|
12 0.053405 0.464675
|
|
13 0.025223 0.834977
|
|
S 1
|
|
1 0.025223 1.0
|
|
S 1
|
|
1 0.012 1.0
|
|
P 13
|
|
1 113.478683 0.000103
|
|
2 58.149046 -0.000896
|
|
3 30.029824 0.008851
|
|
4 16.750395 -0.019576
|
|
5 10.714033 -0.069249
|
|
6 5.558478 0.011297
|
|
7 3.080496 0.282218
|
|
8 1.582818 0.438781
|
|
9 0.810731 0.309937
|
|
10 0.413383 0.083951
|
|
11 0.195719 0.007553
|
|
12 0.072184 0.001106
|
|
13 0.035923 0.000285
|
|
P 13
|
|
1 113.478683 0.000021
|
|
2 58.149046 -0.000034
|
|
3 30.029824 -0.001184
|
|
4 16.750395 0.002162
|
|
5 10.714033 0.020978
|
|
6 5.558478 -0.011826
|
|
7 3.080496 -0.062380
|
|
8 1.582818 -0.137615
|
|
9 0.810731 -0.065755
|
|
10 0.413383 -0.033911
|
|
11 0.195719 0.382515
|
|
12 0.072184 0.508959
|
|
13 0.035923 0.257840
|
|
P 13
|
|
1 113.478683 -0.000200
|
|
2 58.149046 0.001371
|
|
3 30.029824 -0.010181
|
|
4 16.750395 0.030762
|
|
5 10.714033 0.045983
|
|
6 5.558478 -0.017031
|
|
7 3.080496 -0.397037
|
|
8 1.582818 -0.418005
|
|
9 0.810731 0.073119
|
|
10 0.413383 1.095819
|
|
11 0.195719 0.003833
|
|
12 0.072184 -0.756970
|
|
13 0.035923 -0.040676
|
|
P 13
|
|
1 113.478683 0.000014
|
|
2 58.149046 0.000421
|
|
3 30.029824 -0.008582
|
|
4 16.750395 0.038725
|
|
5 10.714033 0.099454
|
|
6 5.558478 -0.144661
|
|
7 3.080496 -0.821188
|
|
8 1.582818 -0.249872
|
|
9 0.810731 1.789394
|
|
10 0.413383 -0.399933
|
|
11 0.195719 -1.289110
|
|
12 0.072184 0.845789
|
|
13 0.035923 0.147713
|
|
P 1
|
|
1 0.035923 1.0
|
|
P 1
|
|
1 0.017 1.0
|
|
D 11
|
|
1 132.688043 0.000030
|
|
2 45.257740 0.005308
|
|
3 23.264934 0.029187
|
|
4 10.604446 0.076880
|
|
5 5.075071 0.168742
|
|
6 2.470085 0.256971
|
|
7 1.206045 0.289895
|
|
8 0.590669 0.257087
|
|
9 0.292045 0.181613
|
|
10 0.149158 0.089726
|
|
11 0.076548 0.034455
|
|
D 11
|
|
1 132.688043 -0.000021
|
|
2 45.257740 -0.005463
|
|
3 23.264934 -0.029079
|
|
4 10.604446 -0.079946
|
|
5 5.075071 -0.174638
|
|
6 2.470085 -0.253480
|
|
7 1.206045 -0.173991
|
|
8 0.590669 0.045744
|
|
9 0.292045 0.346287
|
|
10 0.149158 0.263668
|
|
11 0.076548 0.370832
|
|
D 11
|
|
1 132.688043 0.000060
|
|
2 45.257740 0.008408
|
|
3 23.264934 0.045875
|
|
4 10.604446 0.129436
|
|
5 5.075071 0.284631
|
|
6 2.470085 0.270459
|
|
7 1.206045 -0.102755
|
|
8 0.590669 -0.580996
|
|
9 0.292045 -0.180748
|
|
10 0.149158 0.022553
|
|
11 0.076548 0.722502
|
|
D 1
|
|
1 0.076548 1.0
|
|
D 1
|
|
1 0.03 1.0
|
|
F 1
|
|
1 0.162649 1.0
|
|
F 1
|
|
1 0.678412 1.0
|
|
F 1
|
|
1 2.829664 1.0
|
|
G 1
|
|
1 0.542598 1.0
|
|
G 1
|
|
1 1.744831 1.0
|
|
|
|
NICKEL
|
|
S 13
|
|
1 97.609231 0.000688
|
|
2 51.795589 -0.014336
|
|
3 27.566909 0.121035
|
|
4 15.531444 -0.144503
|
|
5 8.990857 -0.360791
|
|
6 4.804810 -0.003243
|
|
7 2.574616 0.497736
|
|
8 1.332789 0.552240
|
|
9 0.678890 0.196852
|
|
10 0.231285 0.010794
|
|
11 0.120013 -0.003782
|
|
12 0.057871 0.001393
|
|
13 0.027793 -0.000334
|
|
S 13
|
|
1 97.609231 -0.000136
|
|
2 51.795589 0.003181
|
|
3 27.566909 -0.028405
|
|
4 15.531444 0.036601
|
|
5 8.990857 0.086336
|
|
6 4.804810 -0.001113
|
|
7 2.574616 -0.136410
|
|
8 1.332789 -0.206882
|
|
9 0.678890 -0.163365
|
|
10 0.231285 0.143310
|
|
11 0.120013 0.450561
|
|
12 0.057871 0.458900
|
|
13 0.027793 0.116636
|
|
S 13
|
|
1 97.609231 -0.000144
|
|
2 51.795589 0.003299
|
|
3 27.566909 -0.029379
|
|
4 15.531444 0.038039
|
|
5 8.990857 0.088752
|
|
6 4.804810 -0.001605
|
|
7 2.574616 -0.142926
|
|
8 1.332789 -0.206444
|
|
9 0.678890 -0.160922
|
|
10 0.231285 0.137129
|
|
11 0.120013 0.452051
|
|
12 0.057871 0.453964
|
|
13 0.027793 0.122926
|
|
S 13
|
|
1 97.609231 0.000165
|
|
2 51.795589 0.004044
|
|
3 27.566909 -0.051760
|
|
4 15.531444 0.062082
|
|
5 8.990857 0.222547
|
|
6 4.804810 -0.077776
|
|
7 2.574616 -0.289946
|
|
8 1.332789 -0.660866
|
|
9 0.678890 0.279645
|
|
10 0.231285 1.245781
|
|
11 0.120013 0.119337
|
|
12 0.057871 -0.566533
|
|
13 0.027793 -0.560143
|
|
S 1
|
|
1 0.027793 1.0
|
|
S 1
|
|
1 0.013 1.0
|
|
P 13
|
|
1 148.055334 0.000088
|
|
2 72.086134 -0.001119
|
|
3 34.462396 0.021186
|
|
4 19.703322 -0.070032
|
|
5 15.218321 -0.047471
|
|
6 7.500730 0.023137
|
|
7 4.198271 0.275852
|
|
8 2.159830 0.433799
|
|
9 1.103715 0.310152
|
|
10 0.573058 0.089124
|
|
11 0.296213 0.010970
|
|
12 0.087733 0.001132
|
|
13 0.036681 0.000101
|
|
P 13
|
|
1 148.055334 0.000055
|
|
2 72.086134 -0.000191
|
|
3 34.462396 -0.002043
|
|
4 19.703322 0.003428
|
|
5 15.218321 0.023890
|
|
6 7.500730 -0.019526
|
|
7 4.198271 -0.041199
|
|
8 2.159830 -0.138172
|
|
9 1.103715 -0.018608
|
|
10 0.573058 -0.118437
|
|
11 0.296213 0.355825
|
|
12 0.087733 0.604126
|
|
13 0.036681 0.252636
|
|
P 13
|
|
1 148.055334 -0.000165
|
|
2 72.086134 0.001444
|
|
3 34.462396 -0.022779
|
|
4 19.703322 0.103668
|
|
5 15.218321 -0.002949
|
|
6 7.500730 -0.008709
|
|
7 4.198271 -0.449059
|
|
8 2.159830 -0.387352
|
|
9 1.103715 0.075969
|
|
10 0.573058 1.025025
|
|
11 0.296213 0.064695
|
|
12 0.087733 -0.729963
|
|
13 0.036681 -0.002806
|
|
P 13
|
|
1 148.055334 0.000029
|
|
2 72.086134 -0.000760
|
|
3 34.462396 0.024992
|
|
4 19.703322 -0.139884
|
|
5 15.218321 -0.010167
|
|
6 7.500730 0.082158
|
|
7 4.198271 0.887724
|
|
8 2.159830 0.082508
|
|
9 1.103715 -1.396107
|
|
10 0.573058 -0.189149
|
|
11 0.296213 1.539261
|
|
12 0.087733 -0.786978
|
|
13 0.036681 -0.131069
|
|
P 1
|
|
1 0.036681 1.0
|
|
P 1
|
|
1 0.018 1.0
|
|
D 11
|
|
1 177.801510 -0.000015
|
|
2 61.108038 0.002224
|
|
3 30.508234 0.026045
|
|
4 14.144383 0.092837
|
|
5 6.846193 0.186362
|
|
6 3.363485 0.268726
|
|
7 1.645977 0.295256
|
|
8 0.795663 0.251833
|
|
9 0.384212 0.161292
|
|
10 0.189273 0.070970
|
|
11 0.091549 0.022879
|
|
D 11
|
|
1 177.801510 0.000016
|
|
2 61.108038 -0.002556
|
|
3 30.508234 -0.029764
|
|
4 14.144383 -0.108691
|
|
5 6.846193 -0.223408
|
|
6 3.363485 -0.283618
|
|
7 1.645977 -0.120676
|
|
8 0.795663 0.193509
|
|
9 0.384212 0.377891
|
|
10 0.189273 0.297292
|
|
11 0.091549 0.174221
|
|
D 11
|
|
1 177.801510 -0.000004
|
|
2 61.108038 0.003190
|
|
3 30.508234 0.038575
|
|
4 14.144383 0.144009
|
|
5 6.846193 0.306792
|
|
6 3.363485 0.241988
|
|
7 1.645977 -0.292647
|
|
8 0.795663 -0.584145
|
|
9 0.384212 -0.027638
|
|
10 0.189273 0.403706
|
|
11 0.091549 0.421169
|
|
D 1
|
|
1 0.091549 1.0
|
|
D 1
|
|
1 0.04 1.0
|
|
F 1
|
|
1 0.283943 1.0
|
|
F 1
|
|
1 1.149919 1.0
|
|
F 1
|
|
1 4.656966 1.0
|
|
G 1
|
|
1 0.995016 1.0
|
|
G 1
|
|
1 2.993316 1.0
|
|
|
|
OXYGEN
|
|
S 9
|
|
1 54.775216 -0.0012444
|
|
2 25.616801 0.0107330
|
|
3 11.980245 0.0018889
|
|
4 6.992317 -0.1742537
|
|
5 2.620277 0.0017622
|
|
6 1.225429 0.3161846
|
|
7 0.577797 0.4512023
|
|
8 0.268022 0.3121534
|
|
9 0.125346 0.0511167
|
|
S 1
|
|
1 1.686633 1.0000000
|
|
S 1
|
|
1 0.237997 1.0000000
|
|
P 9
|
|
1 22.217266 0.0104866
|
|
2 10.74755 0.0366435
|
|
3 5.315785 0.0803674
|
|
4 2.660761 0.1627010
|
|
5 1.331816 0.2377791
|
|
6 0.678626 0.2811422
|
|
7 0.333673 0.2643189
|
|
8 0.167017 0.1466014
|
|
9 0.083598 0.0458145
|
|
P 1
|
|
1 0.600621 1.0000000
|
|
P 1
|
|
1 0.184696 1.0000000
|
|
D 1
|
|
1 2.404278 1.0000000
|
|
D 1
|
|
1 0.669340 1.0000000
|
|
F 1
|
|
1 1.423104 1.0000000
|
|
|
|
SULFUR
|
|
S 11
|
|
1 315.24967840 0.000233
|
|
2 141.17315500 -0.000557
|
|
3 63.21928635 0.007846
|
|
4 28.31046857 -0.139746
|
|
5 12.67781838 0.011705
|
|
6 5.67730197 0.400954
|
|
7 2.54237414 0.562552
|
|
8 1.13851021 0.135102
|
|
9 0.50984058 0.004551
|
|
10 0.22831365 0.000131
|
|
11 0.10224200 0.000385
|
|
S 11
|
|
1 315.24967840 -0.000035
|
|
2 141.17315500 -0.000046
|
|
3 63.21928635 -0.001545
|
|
4 28.31046857 0.046561
|
|
5 12.67781838 -0.007204
|
|
6 5.67730197 -0.163807
|
|
7 2.54237414 -0.356328
|
|
8 1.13851021 -0.102388
|
|
9 0.50984058 0.476460
|
|
10 0.22831365 0.568771
|
|
11 0.10224200 0.183715
|
|
S 1
|
|
1 0.154095 1.000000
|
|
S 1
|
|
1 0.998096 1.000000
|
|
P 11
|
|
1 105.77262714 -0.000130
|
|
2 50.58545925 0.016880
|
|
3 24.19235256 0.158150
|
|
4 11.56992407 0.258667
|
|
5 5.53328341 0.356166
|
|
6 2.64627711 0.294147
|
|
7 1.26557453 0.091060
|
|
8 0.60525743 0.007367
|
|
9 0.28946265 0.000547
|
|
10 0.13843469 0.000553
|
|
11 0.06620600 -0.000031
|
|
P 11
|
|
1 105.77262714 -0.000224
|
|
2 50.58545925 0.005129
|
|
3 24.19235256 0.038613
|
|
4 11.56992407 0.068551
|
|
5 5.53328341 0.100274
|
|
6 2.64627711 0.091605
|
|
7 1.26557453 -0.063653
|
|
8 0.60525743 -0.290231
|
|
9 0.28946265 -0.414484
|
|
10 0.13843469 -0.297929
|
|
11 0.06620600 -0.101003
|
|
P 1
|
|
1 0.118377 1.000000
|
|
P 1
|
|
1 0.806689 1.000000
|
|
D 1
|
|
1 0.803728 1.000000
|
|
D 1
|
|
1 0.269530 1.000000
|
|
F 1
|
|
1 0.559459 1.000000
|
|
|
|
SCANDIUM
|
|
S 13
|
|
1 66.885341 0.000530
|
|
2 33.819599 -0.004820
|
|
3 18.254490 0.001497
|
|
4 11.808446 0.125425
|
|
5 6.900398 -0.270066
|
|
6 3.228933 -0.326605
|
|
7 1.773981 0.289735
|
|
8 0.840523 0.630457
|
|
9 0.472620 0.269883
|
|
10 0.314717 0.139047
|
|
11 0.100371 0.008111
|
|
12 0.048701 -0.002666
|
|
13 0.022635 0.000614
|
|
S 13
|
|
1 66.885341 -0.000134
|
|
2 33.819599 0.001271
|
|
3 18.254490 -0.000752
|
|
4 11.808446 -0.033037
|
|
5 6.900398 0.075355
|
|
6 3.228933 0.090312
|
|
7 1.773981 -0.089219
|
|
8 0.840523 -0.216505
|
|
9 0.472620 -0.176500
|
|
10 0.314717 -0.131181
|
|
11 0.100371 0.341614
|
|
12 0.048701 0.608966
|
|
13 0.022635 0.240473
|
|
S 13
|
|
1 66.885341 -0.000687
|
|
2 33.819599 0.005444
|
|
3 18.254490 -0.015884
|
|
4 11.808446 -0.032814
|
|
5 6.900398 0.108358
|
|
6 3.228933 0.235631
|
|
7 1.773981 -0.311150
|
|
8 0.840523 -0.234723
|
|
9 0.472620 -1.200718
|
|
10 0.314717 1.048196
|
|
11 0.100371 1.607623
|
|
12 0.048701 -0.643134
|
|
13 0.022635 -0.837339
|
|
S 13
|
|
1 66.885341 -0.001496
|
|
2 33.819599 0.011574
|
|
3 18.254490 -0.039542
|
|
4 11.808446 -0.025971
|
|
5 6.900398 0.153997
|
|
6 3.228933 0.460404
|
|
7 1.773981 -0.772294
|
|
8 0.840523 -0.578586
|
|
9 0.472620 -1.812898
|
|
10 0.314717 3.681098
|
|
11 0.100371 -0.583535
|
|
12 0.048701 -2.233456
|
|
13 0.022635 1.905246
|
|
S 1
|
|
1 0.022635 1.0
|
|
S 1
|
|
1 0.011 1.0
|
|
P 13
|
|
1 77.687965 0.000088
|
|
2 39.720143 -0.000755
|
|
3 20.588415 0.006537
|
|
4 11.552484 -0.005944
|
|
5 7.633071 -0.070539
|
|
6 3.765354 -0.014599
|
|
7 2.056424 0.249676
|
|
8 1.048311 0.436532
|
|
9 0.549190 0.325322
|
|
10 0.304981 0.103373
|
|
11 0.166817 0.018978
|
|
12 0.061588 0.001353
|
|
13 0.024836 0.000122
|
|
P 13
|
|
1 77.687965 0.000012
|
|
2 39.720143 0.000002
|
|
3 20.588415 -0.000950
|
|
4 11.552484 -0.000472
|
|
5 7.633071 0.021251
|
|
6 3.765354 -0.002758
|
|
7 2.056424 -0.060262
|
|
8 1.048311 -0.141394
|
|
9 0.549190 -0.081787
|
|
10 0.304981 -0.099327
|
|
11 0.166817 0.309280
|
|
12 0.061588 0.623105
|
|
13 0.024836 0.261500
|
|
P 13
|
|
1 77.687965 -0.000053
|
|
2 39.720143 0.000499
|
|
3 20.588415 -0.004884
|
|
4 11.552484 0.005449
|
|
5 7.633071 0.055621
|
|
6 3.765354 0.002727
|
|
7 2.056424 -0.232938
|
|
8 1.048311 -0.500050
|
|
9 0.549190 -0.218611
|
|
10 0.304981 0.886574
|
|
11 0.166817 0.657112
|
|
12 0.061588 -0.824086
|
|
13 0.024836 -0.171436
|
|
P 13
|
|
1 77.687965 -0.000269
|
|
2 39.720143 0.001710
|
|
3 20.588415 -0.010083
|
|
4 11.552484 0.018798
|
|
5 7.633071 0.049498
|
|
6 3.765354 0.048059
|
|
7 2.056424 -0.409386
|
|
8 1.048311 -0.813409
|
|
9 0.549190 0.676043
|
|
10 0.304981 2.270655
|
|
11 0.166817 -2.757013
|
|
12 0.061588 0.557954
|
|
13 0.024836 0.499453
|
|
P 1
|
|
1 0.024836 1.0
|
|
P 1
|
|
1 0.012 1.0
|
|
D 11
|
|
1 60.996922 0.000056
|
|
2 22.088926 0.005065
|
|
3 10.187383 0.031740
|
|
4 4.631390 0.082146
|
|
5 2.148130 0.159084
|
|
6 1.015784 0.228110
|
|
7 0.487874 0.244131
|
|
8 0.247348 0.234199
|
|
9 0.129854 0.196760
|
|
10 0.062998 0.212891
|
|
11 0.021310 0.072798
|
|
D 11
|
|
1 60.996922 -0.000073
|
|
2 22.088926 -0.006086
|
|
3 10.187383 -0.038466
|
|
4 4.631390 -0.100226
|
|
5 2.148130 -0.193890
|
|
6 1.015784 -0.253318
|
|
7 0.487874 -0.214480
|
|
8 0.247348 0.054136
|
|
9 0.129854 0.267168
|
|
10 0.062998 0.517020
|
|
11 0.021310 0.163524
|
|
D 11
|
|
1 60.996922 0.000057
|
|
2 22.088926 0.008199
|
|
3 10.187383 0.049365
|
|
4 4.631390 0.135710
|
|
5 2.148130 0.246153
|
|
6 1.015784 0.258979
|
|
7 0.487874 -0.122052
|
|
8 0.247348 -0.447750
|
|
9 0.129854 -0.469557
|
|
10 0.062998 0.534917
|
|
11 0.021310 0.466434
|
|
D 1
|
|
1 0.021310 1.0
|
|
D 1
|
|
1 0.01 1.0
|
|
F 1
|
|
1 0.04021 1.0
|
|
F 1
|
|
1 0.172508 1.0
|
|
F 1
|
|
1 0.740081 1.0
|
|
G 1
|
|
1 0.132194 1.0
|
|
G 1
|
|
1 0.411857 1.0
|
|
|
|
TITANIUM
|
|
S 13
|
|
1 68.910511 0.000616
|
|
2 33.720700 -0.007501
|
|
3 18.159676 0.012218
|
|
4 12.419305 0.144739
|
|
5 7.532195 -0.328621
|
|
6 3.504444 -0.317517
|
|
7 1.910727 0.357422
|
|
8 0.888840 0.671406
|
|
9 0.447198 0.282226
|
|
10 0.281192 0.038673
|
|
11 0.100258 0.004559
|
|
12 0.046525 -0.001565
|
|
13 0.021840 0.000398
|
|
S 13
|
|
1 68.910511 -0.000156
|
|
2 33.720700 0.001966
|
|
3 18.159676 -0.003994
|
|
4 12.419305 -0.036377
|
|
5 7.532195 0.088593
|
|
6 3.504444 0.085630
|
|
7 1.910727 -0.105993
|
|
8 0.888840 -0.237421
|
|
9 0.447198 -0.235359
|
|
10 0.281192 -0.012960
|
|
11 0.100258 0.433582
|
|
12 0.046525 0.577873
|
|
13 0.021840 0.164360
|
|
S 13
|
|
1 68.910511 0.000635
|
|
2 33.720700 -0.006468
|
|
3 18.159676 0.023444
|
|
4 12.419305 0.038921
|
|
5 7.532195 -0.141180
|
|
6 3.504444 -0.214765
|
|
7 1.910727 0.320151
|
|
8 0.888840 0.451062
|
|
9 0.447198 0.855191
|
|
10 0.281192 -1.209224
|
|
11 0.100258 -1.319481
|
|
12 0.046525 0.866517
|
|
13 0.021840 0.618916
|
|
S 13
|
|
1 68.910511 -0.001178
|
|
2 33.720700 0.011877
|
|
3 18.159676 -0.047240
|
|
4 12.419305 -0.050922
|
|
5 7.532195 0.237746
|
|
6 3.504444 0.403185
|
|
7 1.910727 -0.790961
|
|
8 0.888840 -1.102276
|
|
9 0.447198 0.209446
|
|
10 0.281192 2.527352
|
|
11 0.100258 -1.789041
|
|
12 0.046525 -0.867842
|
|
13 0.021840 1.427395
|
|
S 1
|
|
1 0.021840 1.0
|
|
S 1
|
|
1 0.01 1.0
|
|
P 13
|
|
1 84.914002 0.000093
|
|
2 42.855051 -0.000836
|
|
3 21.700131 0.008679
|
|
4 12.214690 -0.011178
|
|
5 8.319164 -0.077767
|
|
6 4.091071 -0.006113
|
|
7 2.286543 0.271828
|
|
8 1.159810 0.459585
|
|
9 0.591343 0.315900
|
|
10 0.312862 0.071683
|
|
11 0.184828 0.010541
|
|
12 0.068590 0.000045
|
|
13 0.026791 -0.000837
|
|
P 13
|
|
1 84.914002 0.000020
|
|
2 42.855051 -0.000049
|
|
3 21.700131 -0.000761
|
|
4 12.214690 -0.000575
|
|
5 8.319164 0.018284
|
|
6 4.091071 -0.005943
|
|
7 2.286543 -0.043212
|
|
8 1.159810 -0.112513
|
|
9 0.591343 -0.052073
|
|
10 0.312862 -0.092263
|
|
11 0.184828 0.243946
|
|
12 0.068590 0.413101
|
|
13 0.026791 0.543985
|
|
P 13
|
|
1 84.914002 0.000019
|
|
2 42.855051 0.000138
|
|
3 21.700131 -0.004622
|
|
4 12.214690 0.004465
|
|
5 8.319164 0.065760
|
|
6 4.091071 -0.018927
|
|
7 2.286543 -0.222524
|
|
8 1.159810 -0.523890
|
|
9 0.591343 -0.071277
|
|
10 0.312862 0.812712
|
|
11 0.184828 0.625498
|
|
12 0.068590 -0.812189
|
|
13 0.026791 -0.185796
|
|
P 13
|
|
1 84.914002 -0.000257
|
|
2 42.855051 0.001725
|
|
3 21.700131 -0.012646
|
|
4 12.214690 0.029062
|
|
5 8.319164 0.058979
|
|
6 4.091071 0.030806
|
|
7 2.286543 -0.524373
|
|
8 1.159810 -0.720968
|
|
9 0.591343 1.023204
|
|
10 0.312862 1.973874
|
|
11 0.184828 -2.805092
|
|
12 0.068590 0.607954
|
|
13 0.026791 0.447653
|
|
P 1
|
|
1 0.026791 1.0
|
|
P 1
|
|
1 0.013 1.0
|
|
D 11
|
|
1 77.434559 0.000022
|
|
2 27.708477 0.004218
|
|
3 12.914284 0.030087
|
|
4 6.062674 0.084821
|
|
5 2.863898 0.171110
|
|
6 1.386559 0.247451
|
|
7 0.677058 0.277310
|
|
8 0.329864 0.261077
|
|
9 0.159474 0.190336
|
|
10 0.076174 0.119385
|
|
11 0.028570 0.031297
|
|
D 11
|
|
1 77.434559 -0.000025
|
|
2 27.708477 -0.004311
|
|
3 12.914284 -0.030913
|
|
4 6.062674 -0.088049
|
|
5 2.863898 -0.178330
|
|
6 1.386559 -0.234335
|
|
7 0.677058 -0.195775
|
|
8 0.329864 0.065872
|
|
9 0.159474 0.330536
|
|
10 0.076174 0.461229
|
|
11 0.028570 0.184273
|
|
D 11
|
|
1 77.434559 0.000010
|
|
2 27.708477 0.006187
|
|
3 12.914284 0.042630
|
|
4 6.062674 0.127524
|
|
5 2.863898 0.248289
|
|
6 1.386559 0.259761
|
|
7 0.677058 -0.070794
|
|
8 0.329864 -0.519396
|
|
9 0.159474 -0.373658
|
|
10 0.076174 0.455067
|
|
11 0.028570 0.489586
|
|
D 1
|
|
1 0.028570 1.0
|
|
D 1
|
|
1 0.014 1.0
|
|
F 1
|
|
1 0.066981 1.0
|
|
F 1
|
|
1 0.291553 1.0
|
|
F 1
|
|
1 1.269061 1.0
|
|
G 1
|
|
1 0.227422 1.0
|
|
G 1
|
|
1 0.707265 1.0
|
|
|
|
VANADIUM
|
|
S 13
|
|
1 68.577621 0.000804
|
|
2 34.937147 -0.011594
|
|
3 17.939491 0.092209
|
|
4 11.262123 -0.045477
|
|
5 6.776264 -0.287983
|
|
6 3.524091 -0.217648
|
|
7 1.938421 0.407509
|
|
8 0.927153 0.658193
|
|
9 0.448420 0.255234
|
|
10 0.209668 0.008620
|
|
11 0.103660 0.002734
|
|
12 0.050630 -0.001161
|
|
13 0.024201 0.000294
|
|
S 13
|
|
1 68.577621 -0.000177
|
|
2 34.937147 0.002791
|
|
3 17.939491 -0.023650
|
|
4 11.262123 0.012504
|
|
5 6.776264 0.078761
|
|
6 3.524091 0.054974
|
|
7 1.938421 -0.118955
|
|
8 0.927153 -0.245341
|
|
9 0.448420 -0.222959
|
|
10 0.209668 0.047809
|
|
11 0.103660 0.415374
|
|
12 0.050630 0.540880
|
|
13 0.024201 0.183421
|
|
S 13
|
|
1 68.577621 -0.000583
|
|
2 34.937147 0.009570
|
|
3 17.939491 -0.085606
|
|
4 11.262123 0.048426
|
|
5 6.776264 0.331239
|
|
6 3.524091 0.140352
|
|
7 1.938421 -0.907962
|
|
8 0.927153 -0.503878
|
|
9 0.448420 0.398938
|
|
10 0.209668 0.971131
|
|
11 0.103660 0.423999
|
|
12 0.050630 -0.628646
|
|
13 0.024201 -0.467495
|
|
S 13
|
|
1 68.577621 -0.000765
|
|
2 34.937147 0.014529
|
|
3 17.939491 -0.139618
|
|
4 11.262123 0.063073
|
|
5 6.776264 0.704193
|
|
6 3.524091 -0.011602
|
|
7 1.938421 -2.311604
|
|
8 0.927153 0.768269
|
|
9 0.448420 2.168920
|
|
10 0.209668 -1.062671
|
|
11 0.103660 -1.218151
|
|
12 0.050630 0.340809
|
|
13 0.024201 0.713322
|
|
S 1
|
|
1 0.024201 1.0
|
|
S 1
|
|
1 0.012 1.0
|
|
P 13
|
|
1 96.215967 0.000069
|
|
2 49.579340 -0.000672
|
|
3 25.638009 0.008199
|
|
4 14.025942 -0.027108
|
|
5 8.740334 -0.053021
|
|
6 4.634840 0.005002
|
|
7 2.553374 0.261986
|
|
8 1.321166 0.433544
|
|
9 0.681285 0.324947
|
|
10 0.349458 0.092342
|
|
11 0.172773 0.008964
|
|
12 0.063300 0.001185
|
|
13 0.033969 0.000104
|
|
P 13
|
|
1 96.215967 0.000040
|
|
2 49.579340 -0.000133
|
|
3 25.638009 -0.000955
|
|
4 14.025942 0.003719
|
|
5 8.740334 0.018866
|
|
6 4.634840 -0.012074
|
|
7 2.553374 -0.057107
|
|
8 1.321166 -0.146433
|
|
9 0.681285 -0.067365
|
|
10 0.349458 -0.068254
|
|
11 0.172773 0.403103
|
|
12 0.063300 0.502668
|
|
13 0.033969 0.261291
|
|
P 13
|
|
1 96.215967 -0.000053
|
|
2 49.579340 0.000023
|
|
3 25.638009 0.004629
|
|
4 14.025942 -0.007755
|
|
5 8.740334 -0.104133
|
|
6 4.634840 -0.017762
|
|
7 2.553374 0.728212
|
|
8 1.321166 0.218826
|
|
9 0.681285 -0.493223
|
|
10 0.349458 -0.838192
|
|
11 0.172773 0.398401
|
|
12 0.063300 0.664589
|
|
13 0.033969 0.033011
|
|
P 13
|
|
1 96.215967 -0.001262
|
|
2 49.579340 0.006419
|
|
3 25.638009 -0.021229
|
|
4 14.025942 0.115777
|
|
5 8.740334 -0.420740
|
|
6 4.634840 0.197742
|
|
7 2.553374 1.575600
|
|
8 1.321166 -1.067913
|
|
9 0.681285 -1.310083
|
|
10 0.349458 1.191147
|
|
11 0.172773 0.550516
|
|
12 0.063300 -0.718788
|
|
13 0.033969 -0.157441
|
|
P 1
|
|
1 0.033969 1.0
|
|
P 1
|
|
1 0.016 1.0
|
|
D 11
|
|
1 89.989649 0.000051
|
|
2 33.132961 0.004804
|
|
3 15.879656 0.029485
|
|
4 7.465803 0.086249
|
|
5 3.551993 0.179728
|
|
6 1.728185 0.261850
|
|
7 0.850498 0.291794
|
|
8 0.417673 0.259356
|
|
9 0.201523 0.174944
|
|
10 0.100711 0.062278
|
|
11 0.058959 0.027653
|
|
D 11
|
|
1 89.989649 -0.000038
|
|
2 33.132961 -0.004590
|
|
3 15.879656 -0.027563
|
|
4 7.465803 -0.082775
|
|
5 3.551993 -0.173494
|
|
6 1.728185 -0.236188
|
|
7 0.850498 -0.149226
|
|
8 0.417673 0.044145
|
|
9 0.201523 0.390500
|
|
10 0.100711 0.203064
|
|
11 0.058959 0.398002
|
|
D 11
|
|
1 89.989649 0.000128
|
|
2 33.132961 0.006652
|
|
3 15.879656 0.044635
|
|
4 7.465803 0.122559
|
|
5 3.551993 0.311147
|
|
6 1.728185 0.288813
|
|
7 0.850498 -0.142246
|
|
8 0.417673 -0.613737
|
|
9 0.201523 -0.123916
|
|
10 0.100711 -0.020235
|
|
11 0.058959 0.733259
|
|
D 1
|
|
1 0.058959 1.0
|
|
D 1
|
|
1 0.027 1.0
|
|
F 1
|
|
1 0.131136 1.0
|
|
F 1
|
|
1 0.552620 1.0
|
|
F 1
|
|
1 2.328788 1.0
|
|
G 1
|
|
1 0.616440 1.0
|
|
G 1
|
|
1 1.977796 1.0
|
|
|
|
ZINC
|
|
S 13
|
|
1 114.485022 0.000429
|
|
2 61.996430 -0.019339
|
|
3 40.117132 0.086254
|
|
4 20.119649 -0.088955
|
|
5 10.171676 -0.402671
|
|
6 5.601641 0.067304
|
|
7 2.864122 0.479215
|
|
8 1.592779 0.503960
|
|
9 0.826525 0.222088
|
|
10 0.263975 0.012203
|
|
11 0.145302 -0.004300
|
|
12 0.068195 0.001243
|
|
13 0.031465 -0.000267
|
|
S 13
|
|
1 114.485022 -0.000109
|
|
2 61.996430 0.004459
|
|
3 40.117132 -0.020067
|
|
4 20.119649 0.022338
|
|
5 10.171676 0.096698
|
|
6 5.601641 -0.021966
|
|
7 2.864122 -0.128768
|
|
8 1.592779 -0.181706
|
|
9 0.826525 -0.162311
|
|
10 0.263975 0.116264
|
|
11 0.145302 0.411314
|
|
12 0.068195 0.494257
|
|
13 0.031465 0.138103
|
|
S 13
|
|
1 114.485022 0.000666
|
|
2 61.996430 0.006269
|
|
3 40.117132 -0.046603
|
|
4 20.119649 0.050399
|
|
5 10.171676 0.363493
|
|
6 5.601641 -0.242840
|
|
7 2.864122 -0.382281
|
|
8 1.592779 -0.861567
|
|
9 0.826525 0.706077
|
|
10 0.263975 1.495001
|
|
11 0.145302 -0.453994
|
|
12 0.068195 -0.597822
|
|
13 0.031465 -0.256117
|
|
S 13
|
|
1 114.485022 0.000704
|
|
2 61.996430 0.012841
|
|
3 40.117132 -0.085910
|
|
4 20.119649 0.117982
|
|
5 10.171676 0.630164
|
|
6 5.601641 -0.600344
|
|
7 2.864122 -1.249060
|
|
8 1.592779 -0.329498
|
|
9 0.826525 2.592469
|
|
10 0.263975 -1.004481
|
|
11 0.145302 -1.379514
|
|
12 0.068195 1.046842
|
|
13 0.031465 0.324676
|
|
S 1
|
|
1 0.031465 1.0
|
|
S 1
|
|
1 0.015 1.0
|
|
P 13
|
|
1 158.770986 -0.000153
|
|
2 75.802876 0.001893
|
|
3 44.547824 0.010461
|
|
4 31.445269 -0.045141
|
|
5 13.080125 -0.084201
|
|
6 7.788616 0.104973
|
|
7 4.195040 0.307714
|
|
8 2.362276 0.368563
|
|
9 1.302584 0.286336
|
|
10 0.660704 0.095156
|
|
11 0.249042 0.005851
|
|
12 0.091781 -0.000034
|
|
13 0.048931 0.000252
|
|
P 13
|
|
1 158.770986 0.000053
|
|
2 75.802876 -0.000571
|
|
3 44.547824 -0.001073
|
|
4 31.445269 0.007463
|
|
5 13.080125 0.018676
|
|
6 7.788616 -0.028090
|
|
7 4.195040 -0.054438
|
|
8 2.362276 -0.093744
|
|
9 1.302584 -0.054169
|
|
10 0.660704 -0.007972
|
|
11 0.249042 0.356198
|
|
12 0.091781 0.412399
|
|
13 0.048931 0.361321
|
|
P 13
|
|
1 158.770986 -0.000170
|
|
2 75.802876 0.000604
|
|
3 44.547824 -0.019987
|
|
4 31.445269 0.061153
|
|
5 13.080125 0.067317
|
|
6 7.788616 -0.139211
|
|
7 4.195040 -0.527041
|
|
8 2.362276 -0.176194
|
|
9 1.302584 0.037129
|
|
10 0.660704 1.079322
|
|
11 0.249042 -0.050149
|
|
12 0.091781 -0.688971
|
|
13 0.048931 0.037331
|
|
P 13
|
|
1 158.770986 -0.000781
|
|
2 75.802876 0.007855
|
|
3 44.547824 -0.008671
|
|
4 31.445269 -0.040553
|
|
5 13.080125 -0.200062
|
|
6 7.788616 0.528599
|
|
7 4.195040 0.528552
|
|
8 2.362276 0.243576
|
|
9 1.302584 -1.807182
|
|
10 0.660704 0.629496
|
|
11 0.249042 1.137613
|
|
12 0.091781 -1.067150
|
|
13 0.048931 0.022190
|
|
P 1
|
|
1 0.048931 1.0
|
|
P 1
|
|
1 0.024 1.0
|
|
D 11
|
|
1 270.014061 -0.000016
|
|
2 100.161579 0.000696
|
|
3 43.530609 0.013536
|
|
4 21.262419 0.069350
|
|
5 10.577821 0.149559
|
|
6 5.343620 0.239588
|
|
7 2.704857 0.286744
|
|
8 1.353018 0.271459
|
|
9 0.660873 0.202426
|
|
10 0.309149 0.103307
|
|
11 0.133879 0.023211
|
|
D 11
|
|
1 270.014061 0.000013
|
|
2 100.161579 -0.000889
|
|
3 43.530609 -0.018640
|
|
4 21.262419 -0.094646
|
|
5 10.577821 -0.215659
|
|
6 5.343620 -0.322469
|
|
7 2.704857 -0.197529
|
|
8 1.353018 0.164448
|
|
9 0.660873 0.410017
|
|
10 0.309149 0.327838
|
|
11 0.133879 0.105749
|
|
D 11
|
|
1 270.014061 0.000007
|
|
2 100.161579 0.000868
|
|
3 43.530609 0.021631
|
|
4 21.262419 0.107748
|
|
5 10.577821 0.278997
|
|
6 5.343620 0.314543
|
|
7 2.704857 -0.241926
|
|
8 1.353018 -0.602415
|
|
9 0.660873 -0.118013
|
|
10 0.309149 0.545482
|
|
11 0.133879 0.363829
|
|
D 1
|
|
1 0.133879 1.0
|
|
D 1
|
|
1 0.06 1.0
|
|
F 1
|
|
1 0.385246 1.0
|
|
F 1
|
|
1 1.520399 1.0
|
|
F 1
|
|
1 6.000349 1.0
|
|
G 1
|
|
1 1.418972 1.0
|
|
G 1
|
|
1 4.099533 1.0
|
|
|
|
COPPER
|
|
S 13
|
|
1 104.471138 0.000741
|
|
2 55.955221 -0.013953
|
|
3 30.553953 0.105266
|
|
4 16.942394 -0.129399
|
|
5 9.452707 -0.362738
|
|
6 5.174537 0.013266
|
|
7 2.779171 0.489288
|
|
8 1.441817 0.562088
|
|
9 0.710674 0.190047
|
|
10 0.241540 0.005635
|
|
11 0.129621 -0.000582
|
|
12 0.059229 -0.000024
|
|
13 0.027110 0.000030
|
|
S 13
|
|
1 104.471138 -0.000133
|
|
2 55.955221 0.002999
|
|
3 30.553953 -0.024310
|
|
4 16.942394 0.031986
|
|
5 9.452707 0.089149
|
|
6 5.174537 -0.010750
|
|
7 2.779171 -0.128224
|
|
8 1.441817 -0.215720
|
|
9 0.710674 -0.149559
|
|
10 0.241540 0.142917
|
|
11 0.129621 0.446307
|
|
12 0.059229 0.484643
|
|
13 0.027110 0.093069
|
|
S 13
|
|
1 104.471138 0.000210
|
|
2 55.955221 0.003806
|
|
3 30.553953 -0.047312
|
|
4 16.942394 0.059957
|
|
5 9.452707 0.250642
|
|
6 5.174537 -0.119102
|
|
7 2.779171 -0.314069
|
|
8 1.441817 -0.689300
|
|
9 0.710674 0.403050
|
|
10 0.241540 1.270440
|
|
11 0.129621 -0.029029
|
|
12 0.059229 -0.622157
|
|
13 0.027110 -0.442074
|
|
S 13
|
|
1 104.471138 0.000366
|
|
2 55.955221 0.006720
|
|
3 30.553953 -0.091493
|
|
4 16.942394 0.142263
|
|
5 9.452707 0.471881
|
|
6 5.174537 -0.319708
|
|
7 2.779171 -1.068255
|
|
8 1.441817 -0.615049
|
|
9 0.710674 2.261282
|
|
10 0.241540 -0.020059
|
|
11 0.129621 -1.815746
|
|
12 0.059229 0.474174
|
|
13 0.027110 0.713597
|
|
S 1
|
|
1 0.027110 1.0
|
|
S 1
|
|
1 0.013 1.0
|
|
P 13
|
|
1 159.152840 0.000026
|
|
2 83.322776 -0.000402
|
|
3 44.840311 0.007405
|
|
4 25.020360 -0.030714
|
|
5 13.610016 -0.074348
|
|
6 7.761318 0.043430
|
|
7 4.303947 0.289703
|
|
8 2.290080 0.413467
|
|
9 1.202173 0.303762
|
|
10 0.607647 0.093494
|
|
11 0.257656 0.006663
|
|
12 0.090897 0.000567
|
|
13 0.041925 0.000176
|
|
P 13
|
|
1 159.152840 0.000034
|
|
2 83.322776 -0.000129
|
|
3 44.840311 -0.000802
|
|
4 25.020360 0.004747
|
|
5 13.610016 0.018595
|
|
6 7.761318 -0.017692
|
|
7 4.303947 -0.052614
|
|
8 2.290080 -0.110349
|
|
9 1.202173 -0.054701
|
|
10 0.607647 -0.026655
|
|
11 0.257656 0.335880
|
|
12 0.090897 0.509478
|
|
13 0.041925 0.302559
|
|
P 13
|
|
1 159.152840 -0.000228
|
|
2 83.322776 0.001414
|
|
3 44.840311 -0.010290
|
|
4 25.020360 0.043896
|
|
5 13.610016 0.052865
|
|
6 7.761318 -0.056565
|
|
7 4.303947 -0.480715
|
|
8 2.290080 -0.315984
|
|
9 1.202173 0.075679
|
|
10 0.607647 1.060747
|
|
11 0.257656 -0.008061
|
|
12 0.090897 -0.701601
|
|
13 0.041925 0.006941
|
|
P 13
|
|
1 159.152840 -0.000412
|
|
2 83.322776 0.001957
|
|
3 44.840311 0.000640
|
|
4 25.020360 -0.036753
|
|
5 13.610016 -0.147193
|
|
6 7.761318 0.297782
|
|
7 4.303947 0.705271
|
|
8 2.290080 0.196466
|
|
9 1.202173 -1.659406
|
|
10 0.607647 0.391500
|
|
11 0.257656 1.243284
|
|
12 0.090897 -0.957529
|
|
13 0.041925 -0.056091
|
|
P 1
|
|
1 0.041925 1.0
|
|
P 1
|
|
1 0.02 1.0
|
|
D 11
|
|
1 226.693527 0.000015
|
|
2 73.010278 0.004108
|
|
3 38.536518 0.028223
|
|
4 18.726700 0.069323
|
|
5 9.155485 0.156045
|
|
6 4.540884 0.251238
|
|
7 2.241175 0.297463
|
|
8 1.085869 0.274981
|
|
9 0.510612 0.193098
|
|
10 0.229608 0.086393
|
|
11 0.095781 0.014645
|
|
D 11
|
|
1 226.693527 -0.000013
|
|
2 73.010278 -0.005252
|
|
3 38.536518 -0.034982
|
|
4 18.726700 -0.088950
|
|
5 9.155485 -0.207194
|
|
6 4.540884 -0.302597
|
|
7 2.241175 -0.179327
|
|
8 1.085869 0.169069
|
|
9 0.510612 0.405904
|
|
10 0.229608 0.341871
|
|
11 0.095781 0.117080
|
|
D 11
|
|
1 226.693527 0.000016
|
|
2 73.010278 0.006157
|
|
3 38.536518 0.040361
|
|
4 18.726700 0.106038
|
|
5 9.155485 0.263299
|
|
6 4.540884 0.288496
|
|
7 2.241175 -0.186745
|
|
8 1.085869 -0.591539
|
|
9 0.510612 -0.138681
|
|
10 0.229608 0.547749
|
|
11 0.095781 0.362353
|
|
D 1
|
|
1 0.095781 1.0
|
|
D 1
|
|
1 0.045 1.0
|
|
F 1
|
|
1 0.331485 1.0
|
|
F 1
|
|
1 1.316717 1.0
|
|
F 1
|
|
1 5.230236 1.0
|
|
G 1
|
|
1 1.168290 1.0
|
|
G 1
|
|
1 3.445758 1.0
|