mirror of
https://github.com/QuantumPackage/qp2.git
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2176 lines
82 KiB
Plaintext
2176 lines
82 KiB
Plaintext
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!----------------------------------------------------------------------
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! Basis Set Exchange
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! Version 2.1.0+44.g1191679.dirty
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! https://www.basissetexchange.org
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!----------------------------------------------------------------------
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! Basis set: NASA Ames ANO
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! Description: VQZ3P Valence Quadruple Zeta + Polarization on All
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! Atoms
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! Role: orbital
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! Version: 0 (Data from the original Basis Set Exchange)
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!----------------------------------------------------------------------
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$DATA
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HYDROGEN
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S 8
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1 402.0099 -0.000242
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2 60.24196 -0.001776
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3 13.73217 -0.009897
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4 3.904505 -0.034765
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5 1.282709 -0.121376
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6 0.465544 -0.220777
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7 0.181120 -0.190184
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8 0.072791 -0.050657
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S 8
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1 402.0099 -0.000356
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2 60.24196 -0.001274
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3 13.73217 -0.018493
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4 3.904505 -0.017519
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5 1.282709 -0.457431
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6 0.465544 -0.322280
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7 0.181120 0.578838
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8 0.072791 0.118148
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S 8
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1 402.0099 -0.000419
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2 60.24196 -0.003615
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3 13.73217 -0.017507
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4 3.904505 -0.163684
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5 1.282709 -1.177592
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6 0.465544 1.845239
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7 0.181120 -0.711784
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8 0.072791 -0.171249
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S 8
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1 402.0099 0.000341
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2 60.24196 -0.019538
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3 13.73217 0.051377
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4 3.904505 -1.320052
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5 1.282709 1.740413
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6 0.465544 -0.668402
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7 0.181120 -0.499035
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8 0.072791 0.542970
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P 6
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1 9.88 0.003085
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2 3.95 0.002969
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3 1.58 0.083876
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4 0.63 0.325133
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5 0.25 0.189603
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6 0.10 0.017708
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P 6
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1 9.88 -0.017351
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2 3.95 0.021253
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3 1.58 -0.552816
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4 0.63 -0.152899
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5 0.25 0.524846
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6 0.10 0.014111
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P 6
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1 9.88 0.003736
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2 3.95 -0.274218
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3 1.58 -0.774419
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4 0.63 1.369931
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5 0.25 -0.735683
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6 0.10 -0.022704
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D 4
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1 4.00 0.001265
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2 1.60 -0.159915
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3 0.64 -0.382208
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4 0.26 -0.100487
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D 4
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1 4.00 -0.033799
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2 1.60 -0.659229
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3 0.64 0.215745
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4 0.26 0.321384
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F 3
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1 2.50 -0.040897
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2 1.00 -0.261579
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3 0.40 -0.104000
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BORON
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S 13
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1 46535.63 0.000038
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2 6970.783 0.000299
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3 1586.432 0.001568
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4 449.3104 0.006562
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5 146.5617 0.023191
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6 52.88387 0.069777
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7 20.55825 0.171617
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8 8.434628 0.319974
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9 3.607517 0.375777
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10 1.567314 0.182544
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11 0.459387 0.007889
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12 0.183777 -0.009326
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13 0.072352 -0.002376
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S 13
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1 46535.63 0.000007
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2 6970.783 0.000058
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3 1586.432 0.000304
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4 449.3104 0.001265
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5 146.5617 0.004571
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6 52.88387 0.013873
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7 20.55825 0.036846
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8 8.434628 0.075570
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9 3.607517 0.131180
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10 1.567314 0.104066
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11 0.459387 -0.294875
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12 0.183777 -0.595194
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13 0.072352 -0.252468
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S 13
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1 46535.63 -0.000010
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2 6970.783 -0.000078
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3 1586.432 -0.000425
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4 449.3104 -0.001687
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5 146.5617 -0.006494
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6 52.88387 -0.018372
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7 20.55825 -0.054677
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8 8.434628 -0.098844
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9 3.607517 -0.221627
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10 1.567314 -0.108733
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11 0.459387 1.367300
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12 0.183777 -0.160536
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13 0.072352 -1.010456
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S 13
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1 46535.63 -0.000016
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2 6970.783 -0.000085
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3 1586.432 -0.000733
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4 449.3104 -0.001500
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5 146.5617 -0.012664
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6 52.88387 -0.011885
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7 20.55825 -0.130981
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8 8.434628 -0.000911
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9 3.607517 -0.743566
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10 1.567314 0.880546
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11 0.459387 1.594506
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12 0.183777 -3.362576
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13 0.072352 1.999860
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S 13
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1 46535.63 -0.000028
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2 6970.783 -0.000133
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3 1586.432 -0.001334
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|
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4 449.3104 -0.002115
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|
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5 146.5617 -0.024103
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|
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6 52.88387 -0.017269
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7 20.55825 -0.281773
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8 8.434628 0.091928
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9 3.607517 -1.661949
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10 1.567314 3.748251
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11 0.459387 -4.367124
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12 0.183777 3.721124
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13 0.072352 -1.457942
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P 8
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1 69.07083 0.000788
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2 16.31631 0.006054
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3 5.115536 0.026815
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4 1.821835 0.087676
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5 0.713452 0.229915
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6 0.292123 0.392825
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7 0.121145 0.359187
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8 0.049631 0.126706
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P 8
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1 69.07083 -0.000678
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2 16.31631 -0.004642
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3 5.115536 -0.019109
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4 1.821835 -0.023670
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5 0.713452 -0.448901
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6 0.292123 -0.555594
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7 0.121145 0.675672
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8 0.049631 0.489832
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P 8
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1 69.07083 -0.002128
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2 16.31631 -0.021376
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3 5.115536 -0.085740
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4 1.821835 -0.442491
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5 0.713452 -0.792860
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6 0.292123 1.273422
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7 0.121145 0.068690
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8 0.049631 -0.643520
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P 8
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1 69.07083 0.004295
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2 16.31631 0.045542
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3 5.115536 0.227155
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4 1.821835 1.203824
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5 0.713452 -1.781172
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6 0.292123 0.555181
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7 0.121145 0.839504
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8 0.049631 -0.866332
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D 6
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1 4.94 0.004947
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2 1.98 0.021163
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3 0.79 0.228432
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4 0.32 0.554002
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5 0.13 0.335849
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6 0.05 0.031559
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D 6
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1 4.94 0.001242
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2 1.98 0.029549
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3 0.79 -0.852441
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4 0.32 -0.056274
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5 0.13 0.792354
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6 0.05 0.052314
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D 6
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1 4.94 -0.033289
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2 1.98 0.497184
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3 0.79 0.701245
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4 0.32 -1.563531
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5 0.13 0.938483
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6 0.05 0.134316
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F 4
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1 2.37 -0.000633
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2 0.95 0.268522
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3 0.38 0.656988
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4 0.15 0.236174
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F 4
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1 2.37 0.023422
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2 0.95 -0.976011
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3 0.38 0.302812
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4 0.15 0.585953
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G 2
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1 1.14 0.022612
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2 0.46 0.061839
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CARBON
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S 13
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1 50557.50 -0.000055
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|
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2 7524.786 -0.000434
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|
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3 1694.328 -0.002316
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|
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4 472.8228 -0.009872
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|
|
5 151.7108 -0.035217
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|
|
6 53.91875 -0.104184
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|
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7 20.65931 -0.241255
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|
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8 8.383976 -0.383929
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|
|
9 3.577015 -0.308219
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|
|
10 1.547118 -0.068528
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|
|
11 0.613013 -0.000830
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12 0.246068 -0.000782
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|
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13 0.099087 0.000040
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S 13
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|
|
1 50557.50 0.000012
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|
|
2 7524.786 0.000093
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|
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3 1694.328 0.000499
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|
|
4 472.8228 0.002130
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|
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5 151.7108 0.007730
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|
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6 53.91875 0.023564
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|
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7 20.65931 0.059522
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|
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8 8.383976 0.114336
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|
|
9 3.577015 0.152281
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|
|
10 1.547118 0.015144
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|
|
11 0.613013 -0.377171
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12 0.246068 -0.544696
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|
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13 0.099087 -0.211886
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S 13
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|
|
1 50557.50 0.000015
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|
|
2 7524.786 0.000113
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|
|
3 1694.328 0.000619
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||
|
|
4 472.8228 0.002573
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|
|
5 151.7108 0.009710
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||
|
|
6 53.91875 0.028622
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|
|
7 20.65931 0.078407
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||
|
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8 8.383976 0.140868
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||
|
|
9 3.577015 0.257204
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||
|
|
10 1.547118 -0.145945
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||
|
|
11 0.613013 -1.280769
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|
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12 0.246068 0.305096
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|
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13 0.099087 0.939557
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|
|
S 13
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||
|
|
1 50557.50 -0.000021
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||
|
|
2 7524.786 -0.000150
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||
|
|
3 1694.328 -0.000927
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||
|
|
4 472.8228 -0.003293
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||
|
|
5 151.7108 -0.015280
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||
|
|
6 53.91875 -0.036183
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||
|
|
7 20.65931 -0.141529
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||
|
|
8 8.383976 -0.158337
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||
|
|
9 3.577015 -0.619878
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||
|
|
10 1.547118 1.629238
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||
|
|
11 0.613013 0.368621
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|
|
12 0.246068 -2.658179
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||
|
|
13 0.099087 1.838912
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||
|
|
S 13
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||
|
|
1 50557.50 0.000027
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||
|
|
2 7524.786 0.000243
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||
|
|
3 1694.328 0.001060
|
||
|
|
4 472.8228 0.006084
|
||
|
|
5 151.7108 0.015497
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||
|
|
6 53.91875 0.084167
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||
|
|
7 20.65931 0.129583
|
||
|
|
8 8.383976 0.535215
|
||
|
|
9 3.577015 0.140466
|
||
|
|
10 1.547118 -3.383581
|
||
|
|
11 0.613013 5.478225
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|
|
12 0.246068 -4.600523
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||
|
|
13 0.099087 1.860274
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|
|
P 8
|
||
|
|
1 83.33316 0.001259
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||
|
|
2 19.55761 0.009684
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|
|
3 6.080365 0.042925
|
||
|
|
4 2.179317 0.135075
|
||
|
|
5 0.865150 0.287774
|
||
|
|
6 0.361944 0.381931
|
||
|
|
7 0.154740 0.295700
|
||
|
|
8 0.065429 0.089427
|
||
|
|
P 8
|
||
|
|
1 83.33316 -0.001428
|
||
|
|
2 19.55761 -0.012110
|
||
|
|
3 6.080365 -0.043938
|
||
|
|
4 2.179317 -0.171555
|
||
|
|
5 0.865150 -0.607195
|
||
|
|
6 0.361944 -0.112436
|
||
|
|
7 0.154740 0.705975
|
||
|
|
8 0.065429 0.294633
|
||
|
|
P 8
|
||
|
|
1 83.33316 -0.003397
|
||
|
|
2 19.55761 -0.034897
|
||
|
|
3 6.080365 -0.145801
|
||
|
|
4 2.179317 -0.714105
|
||
|
|
5 0.865150 -0.144719
|
||
|
|
6 0.361944 1.338070
|
||
|
|
7 0.154740 -0.515613
|
||
|
|
8 0.065429 -0.424749
|
||
|
|
P 8
|
||
|
|
1 83.33316 -0.008253
|
||
|
|
2 19.55761 -0.046337
|
||
|
|
3 6.080365 -0.453318
|
||
|
|
4 2.179317 -0.845806
|
||
|
|
5 0.865150 2.234981
|
||
|
|
6 0.361944 -1.756407
|
||
|
|
7 0.154740 0.104481
|
||
|
|
8 0.065429 0.589521
|
||
|
|
D 6
|
||
|
|
1 7.12 0.006043
|
||
|
|
2 2.85 0.032352
|
||
|
|
3 1.14 0.268056
|
||
|
|
4 0.46 0.562915
|
||
|
|
5 0.18 0.294757
|
||
|
|
6 0.07 0.018572
|
||
|
|
D 6
|
||
|
|
1 7.12 -0.002257
|
||
|
|
2 2.85 -0.081426
|
||
|
|
3 1.14 -0.881600
|
||
|
|
4 0.46 0.189866
|
||
|
|
5 0.18 0.677395
|
||
|
|
6 0.07 0.016009
|
||
|
|
D 6
|
||
|
|
1 7.12 0.042283
|
||
|
|
2 2.85 -0.651129
|
||
|
|
3 1.14 -0.356793
|
||
|
|
4 0.46 1.392676
|
||
|
|
5 0.18 -1.042108
|
||
|
|
6 0.07 -0.047233
|
||
|
|
F 4
|
||
|
|
1 3.42 -0.008675
|
||
|
|
2 1.37 -0.317713
|
||
|
|
3 0.55 -0.648192
|
||
|
|
4 0.22 -0.187225
|
||
|
|
F 4
|
||
|
|
1 3.42 0.057745
|
||
|
|
2 1.37 0.971363
|
||
|
|
3 0.55 -0.455924
|
||
|
|
4 0.22 -0.494937
|
||
|
|
G 2
|
||
|
|
1 1.64 0.220774
|
||
|
|
2 0.66 0.502049
|
||
|
|
|
||
|
|
NITROGEN
|
||
|
|
S 13
|
||
|
|
1 74761.72 -0.000050
|
||
|
|
2 11123.65 -0.000394
|
||
|
|
3 2512.606 -0.002088
|
||
|
|
4 703.7773 -0.008906
|
||
|
|
5 225.4788 -0.032081
|
||
|
|
6 79.61581 -0.097424
|
||
|
|
7 30.23728 -0.231729
|
||
|
|
8 12.26362 -0.377539
|
||
|
|
9 5.265086 -0.318623
|
||
|
|
10 2.333471 -0.082577
|
||
|
|
11 0.901856 -0.003102
|
||
|
|
12 0.358336 -0.000537
|
||
|
|
13 0.141093 -0.000084
|
||
|
|
S 13
|
||
|
|
1 74761.72 -0.000011
|
||
|
|
2 11123.65 -0.000087
|
||
|
|
3 2512.606 -0.000463
|
||
|
|
4 703.7773 -0.001978
|
||
|
|
5 225.4788 -0.007244
|
||
|
|
6 79.61581 -0.022646
|
||
|
|
7 30.23728 -0.058698
|
||
|
|
8 12.26362 -0.114575
|
||
|
|
9 5.265086 -0.154472
|
||
|
|
10 2.333471 -0.023766
|
||
|
|
11 0.901856 0.365334
|
||
|
|
12 0.358336 0.539150
|
||
|
|
13 0.141093 0.236131
|
||
|
|
S 13
|
||
|
|
1 74761.72 -0.000013
|
||
|
|
2 11123.65 -0.000100
|
||
|
|
3 2512.606 -0.000542
|
||
|
|
4 703.7773 -0.002261
|
||
|
|
5 225.4788 -0.008564
|
||
|
|
6 79.61581 -0.026012
|
||
|
|
7 30.23728 -0.072207
|
||
|
|
8 12.26362 -0.133802
|
||
|
|
9 5.265086 -0.239415
|
||
|
|
10 2.333471 0.077478
|
||
|
|
11 0.901856 1.180232
|
||
|
|
12 0.358336 -0.050772
|
||
|
|
13 0.141093 -1.073983
|
||
|
|
S 13
|
||
|
|
1 74761.72 -0.000019
|
||
|
|
2 11123.65 -0.000138
|
||
|
|
3 2512.606 -0.000849
|
||
|
|
4 703.7773 -0.002990
|
||
|
|
5 225.4788 -0.014082
|
||
|
|
6 79.61581 -0.033710
|
||
|
|
7 30.23728 -0.135403
|
||
|
|
8 12.26362 -0.158483
|
||
|
|
9 5.265086 -0.620534
|
||
|
|
10 2.333471 1.374187
|
||
|
|
11 0.901856 0.845725
|
||
|
|
12 0.358336 -2.897332
|
||
|
|
13 0.141093 1.826516
|
||
|
|
S 13
|
||
|
|
1 74761.72 -0.000026
|
||
|
|
2 11123.65 -0.000217
|
||
|
|
3 2512.606 -0.001029
|
||
|
|
4 703.7773 -0.005272
|
||
|
|
5 225.4788 -0.015631
|
||
|
|
6 79.61581 -0.071675
|
||
|
|
7 30.23728 -0.145173
|
||
|
|
8 12.26362 -0.482800
|
||
|
|
9 5.265086 -0.429283
|
||
|
|
10 2.333471 3.655894
|
||
|
|
11 0.901856 -5.394379
|
||
|
|
12 0.358336 4.312451
|
||
|
|
13 0.141093 -1.675136
|
||
|
|
P 8
|
||
|
|
1 126.6666 -0.001159
|
||
|
|
2 29.83739 -0.009076
|
||
|
|
3 9.394038 -0.041062
|
||
|
|
4 3.405104 -0.130864
|
||
|
|
5 1.350000 -0.281156
|
||
|
|
6 0.557696 -0.379487
|
||
|
|
7 0.232449 -0.308475
|
||
|
|
8 0.094264 -0.100123
|
||
|
|
P 8
|
||
|
|
1 126.6666 -0.001540
|
||
|
|
2 29.83739 -0.012756
|
||
|
|
3 9.394038 -0.054403
|
||
|
|
4 3.405104 -0.196078
|
||
|
|
5 1.350000 -0.572195
|
||
|
|
6 0.557696 -0.121098
|
||
|
|
7 0.232449 0.680096
|
||
|
|
8 0.094264 0.302474
|
||
|
|
P 8
|
||
|
|
1 126.6666 0.002931
|
||
|
|
2 29.83739 0.032059
|
||
|
|
3 9.394038 0.130149
|
||
|
|
4 3.405104 0.657730
|
||
|
|
5 1.350000 0.229988
|
||
|
|
6 0.557696 -1.350517
|
||
|
|
7 0.232449 0.467066
|
||
|
|
8 0.094264 0.471627
|
||
|
|
P 8
|
||
|
|
1 126.6666 -0.006382
|
||
|
|
2 29.83739 -0.044263
|
||
|
|
3 9.394038 -0.360497
|
||
|
|
4 3.405104 -0.966074
|
||
|
|
5 1.350000 2.127598
|
||
|
|
6 0.557696 -1.366618
|
||
|
|
7 0.232449 -0.259245
|
||
|
|
8 0.094264 0.725170
|
||
|
|
D 6
|
||
|
|
1 9.88 -0.007587
|
||
|
|
2 3.95 -0.039504
|
||
|
|
3 1.58 -0.295416
|
||
|
|
4 0.63 -0.557191
|
||
|
|
5 0.25 -0.267282
|
||
|
|
6 0.10 -0.022635
|
||
|
|
D 6
|
||
|
|
1 9.88 -0.007077
|
||
|
|
2 3.95 -0.137552
|
||
|
|
3 1.58 -0.839758
|
||
|
|
4 0.63 0.232279
|
||
|
|
5 0.25 0.645473
|
||
|
|
6 0.10 0.026255
|
||
|
|
D 6
|
||
|
|
1 9.88 0.040590
|
||
|
|
2 3.95 -0.697863
|
||
|
|
3 1.58 -0.231698
|
||
|
|
4 0.63 1.328067
|
||
|
|
5 0.25 -1.056272
|
||
|
|
6 0.10 -0.045379
|
||
|
|
F 4
|
||
|
|
1 4.74 -0.015633
|
||
|
|
2 1.90 -0.331439
|
||
|
|
3 0.76 -0.641922
|
||
|
|
4 0.30 -0.179149
|
||
|
|
F 4
|
||
|
|
1 4.74 0.098551
|
||
|
|
2 1.90 0.940625
|
||
|
|
3 0.76 -0.477682
|
||
|
|
4 0.30 -0.478952
|
||
|
|
G 2
|
||
|
|
1 2.28 -0.101690
|
||
|
|
2 0.91 -0.218289
|
||
|
|
|
||
|
|
OXYGEN
|
||
|
|
S 13
|
||
|
|
1 105374.9 -0.000046
|
||
|
|
2 15679.24 -0.000361
|
||
|
|
3 3534.545 -0.001920
|
||
|
|
4 987.3652 -0.008206
|
||
|
|
5 315.9788 -0.029725
|
||
|
|
6 111.6543 -0.090452
|
||
|
|
7 42.69945 -0.217402
|
||
|
|
8 17.39560 -0.368720
|
||
|
|
9 7.438309 -0.337277
|
||
|
|
10 3.222862 -0.096808
|
||
|
|
11 1.253877 -0.002669
|
||
|
|
12 0.495155 -0.001198
|
||
|
|
13 0.191665 0.000031
|
||
|
|
S 13
|
||
|
|
1 105374.9 0.000010
|
||
|
|
2 15679.24 0.000082
|
||
|
|
3 3534.545 0.000438
|
||
|
|
4 987.3652 0.001875
|
||
|
|
5 315.9788 0.006909
|
||
|
|
6 111.6543 0.021587
|
||
|
|
7 42.69945 0.056473
|
||
|
|
8 17.39560 0.113245
|
||
|
|
9 7.438309 0.160700
|
||
|
|
10 3.222862 0.033672
|
||
|
|
11 1.253877 -0.360244
|
||
|
|
12 0.495155 -0.547066
|
||
|
|
13 0.191665 -0.238532
|
||
|
|
S 13
|
||
|
|
1 105374.9 -0.000013
|
||
|
|
2 15679.24 -0.000099
|
||
|
|
3 3534.545 -0.000538
|
||
|
|
4 987.3652 -0.002249
|
||
|
|
5 315.9788 -0.008573
|
||
|
|
6 111.6543 -0.026009
|
||
|
|
7 42.69945 -0.072913
|
||
|
|
8 17.39560 -0.139884
|
||
|
|
9 7.438309 -0.260578
|
||
|
|
10 3.222862 0.072981
|
||
|
|
11 1.253877 1.285286
|
||
|
|
12 0.495155 -0.224648
|
||
|
|
13 0.191665 -0.966820
|
||
|
|
S 13
|
||
|
|
1 105374.9 -0.000018
|
||
|
|
2 15679.24 -0.000124
|
||
|
|
3 3534.545 -0.000819
|
||
|
|
4 987.3652 -0.002651
|
||
|
|
5 315.9788 -0.013902
|
||
|
|
6 111.6543 -0.028890
|
||
|
|
7 42.69945 -0.137142
|
||
|
|
8 17.39560 -0.128323
|
||
|
|
9 7.438309 -0.717294
|
||
|
|
10 3.222862 1.553181
|
||
|
|
11 1.253877 0.573748
|
||
|
|
12 0.495155 -2.684091
|
||
|
|
13 0.191665 1.772327
|
||
|
|
S 13
|
||
|
|
1 105374.9 0.000023
|
||
|
|
2 15679.24 0.000201
|
||
|
|
3 3534.545 0.000892
|
||
|
|
4 987.3652 0.005000
|
||
|
|
5 315.9788 0.013048
|
||
|
|
6 111.6543 0.068218
|
||
|
|
7 42.69945 0.114918
|
||
|
|
8 17.39560 0.512689
|
||
|
|
9 7.438309 0.423285
|
||
|
|
10 3.222862 -3.643658
|
||
|
|
11 1.253877 5.381736
|
||
|
|
12 0.495155 -4.301668
|
||
|
|
13 0.191665 1.689285
|
||
|
|
P 8
|
||
|
|
1 200.0000 -0.000897
|
||
|
|
2 46.53337 -0.007402
|
||
|
|
3 14.62181 -0.035085
|
||
|
|
4 5.313066 -0.115793
|
||
|
|
5 2.102525 -0.258867
|
||
|
|
6 0.850223 -0.372168
|
||
|
|
7 0.337597 -0.336295
|
||
|
|
8 0.128892 -0.140077
|
||
|
|
P 8
|
||
|
|
1 200.0000 -0.001170
|
||
|
|
2 46.53337 -0.009536
|
||
|
|
3 14.62181 -0.046191
|
||
|
|
4 5.313066 -0.154755
|
||
|
|
5 2.102525 -0.487739
|
||
|
|
6 0.850223 -0.273960
|
||
|
|
7 0.337597 0.566424
|
||
|
|
8 0.128892 0.460619
|
||
|
|
P 8
|
||
|
|
1 200.0000 0.001820
|
||
|
|
2 46.53337 0.020119
|
||
|
|
3 14.62181 0.082495
|
||
|
|
4 5.313066 0.422031
|
||
|
|
5 2.102525 0.587292
|
||
|
|
6 0.850223 -1.080478
|
||
|
|
7 0.337597 -0.229096
|
||
|
|
8 0.128892 0.823293
|
||
|
|
P 8
|
||
|
|
1 200.0000 0.002565
|
||
|
|
2 46.53337 0.037524
|
||
|
|
3 14.62181 0.147452
|
||
|
|
4 5.313066 0.976999
|
||
|
|
5 2.102525 -0.989148
|
||
|
|
6 0.850223 -0.585557
|
||
|
|
7 0.337597 1.671555
|
||
|
|
8 0.128892 -1.142214
|
||
|
|
D 6
|
||
|
|
1 12.65 0.009119
|
||
|
|
2 5.06 0.049617
|
||
|
|
3 2.02 0.330495
|
||
|
|
4 0.81 0.551857
|
||
|
|
5 0.32 0.230948
|
||
|
|
6 0.13 0.019148
|
||
|
|
D 6
|
||
|
|
1 12.65 -0.006998
|
||
|
|
2 5.06 -0.179980
|
||
|
|
3 2.02 -0.796089
|
||
|
|
4 0.81 0.279497
|
||
|
|
5 0.32 0.624143
|
||
|
|
6 0.13 0.044391
|
||
|
|
D 6
|
||
|
|
1 12.65 0.018186
|
||
|
|
2 5.06 -0.703947
|
||
|
|
3 2.02 -0.166310
|
||
|
|
4 0.81 1.251742
|
||
|
|
5 0.32 -0.998267
|
||
|
|
6 0.13 -0.094737
|
||
|
|
F 4
|
||
|
|
1 6.07 0.024630
|
||
|
|
2 2.43 0.330576
|
||
|
|
3 0.97 0.602600
|
||
|
|
4 0.39 0.230568
|
||
|
|
F 4
|
||
|
|
1 6.07 0.134170
|
||
|
|
2 2.43 0.843333
|
||
|
|
3 0.97 -0.315933
|
||
|
|
4 0.39 -0.580666
|
||
|
|
G 2
|
||
|
|
1 3.11 0.206885
|
||
|
|
2 1.24 0.514253
|
||
|
|
|
||
|
|
FLUORINE
|
||
|
|
S 13
|
||
|
|
1 103109.5 -0.000064
|
||
|
|
2 15281.01 -0.000503
|
||
|
|
3 3441.539 -0.002668
|
||
|
|
4 967.0948 -0.011200
|
||
|
|
5 314.0353 -0.039097
|
||
|
|
6 113.4423 -0.112263
|
||
|
|
7 44.64473 -0.247199
|
||
|
|
8 18.94287 -0.368004
|
||
|
|
9 8.532743 -0.290863
|
||
|
|
10 3.919401 -0.078165
|
||
|
|
11 1.568157 -0.003566
|
||
|
|
12 0.623290 -0.000828
|
||
|
|
13 0.240861 -0.000099
|
||
|
|
S 13
|
||
|
|
1 103109.5 0.000015
|
||
|
|
2 15281.01 0.000117
|
||
|
|
3 3441.539 0.000621
|
||
|
|
4 967.0948 0.002616
|
||
|
|
5 314.0353 0.009306
|
||
|
|
6 113.4423 0.027721
|
||
|
|
7 44.64473 0.067355
|
||
|
|
8 18.94287 0.122466
|
||
|
|
9 8.532743 0.151291
|
||
|
|
10 3.919401 0.007970
|
||
|
|
11 1.568157 -0.371551
|
||
|
|
12 0.623290 -0.541431
|
||
|
|
13 0.240861 -0.224182
|
||
|
|
S 13
|
||
|
|
1 103109.5 0.000019
|
||
|
|
2 15281.01 0.000145
|
||
|
|
3 3441.539 0.000783
|
||
|
|
4 967.0948 0.003236
|
||
|
|
5 314.0353 0.011877
|
||
|
|
6 113.4423 0.034513
|
||
|
|
7 44.64473 0.090200
|
||
|
|
8 18.94287 0.157367
|
||
|
|
9 8.532743 0.271584
|
||
|
|
10 3.919401 -0.175650
|
||
|
|
11 1.568157 -1.330309
|
||
|
|
12 0.623290 0.429562
|
||
|
|
13 0.240861 0.847667
|
||
|
|
S 13
|
||
|
|
1 103109.5 0.000026
|
||
|
|
2 15281.01 0.000180
|
||
|
|
3 3441.539 0.001159
|
||
|
|
4 967.0948 0.003783
|
||
|
|
5 314.0353 0.018861
|
||
|
|
6 113.4423 0.037668
|
||
|
|
7 44.64473 0.171226
|
||
|
|
8 18.94287 0.124901
|
||
|
|
9 8.532743 0.828972
|
||
|
|
10 3.919401 -2.097659
|
||
|
|
11 1.568157 0.189516
|
||
|
|
12 0.623290 2.177270
|
||
|
|
13 0.240861 -1.640569
|
||
|
|
S 13
|
||
|
|
1 103109.5 -0.000029
|
||
|
|
2 15281.01 -0.000292
|
||
|
|
3 3441.539 -0.001044
|
||
|
|
4 967.0948 -0.007517
|
||
|
|
5 314.0353 -0.012561
|
||
|
|
6 113.4423 -0.102506
|
||
|
|
7 44.64473 -0.058826
|
||
|
|
8 18.94287 -0.835659
|
||
|
|
9 8.532743 0.383816
|
||
|
|
10 3.919401 2.923816
|
||
|
|
11 1.568157 -5.174471
|
||
|
|
12 0.623290 4.409498
|
||
|
|
13 0.240861 -1.809366
|
||
|
|
P 8
|
||
|
|
1 245.3303 0.000991
|
||
|
|
2 56.91901 0.008313
|
||
|
|
3 17.60457 0.040851
|
||
|
|
4 6.274995 0.135691
|
||
|
|
5 2.447030 0.281048
|
||
|
|
6 0.995060 0.360529
|
||
|
|
7 0.403973 0.314310
|
||
|
|
8 0.154810 0.132717
|
||
|
|
P 8
|
||
|
|
1 245.3303 -0.001341
|
||
|
|
2 56.91901 -0.011638
|
||
|
|
3 17.60457 -0.056092
|
||
|
|
4 6.274995 -0.208630
|
||
|
|
5 2.447030 -0.532629
|
||
|
|
6 0.995060 -0.137046
|
||
|
|
7 0.403973 0.598996
|
||
|
|
8 0.154810 0.375471
|
||
|
|
P 8
|
||
|
|
1 245.3303 0.001951
|
||
|
|
2 56.91901 0.023985
|
||
|
|
3 17.60457 0.094178
|
||
|
|
4 6.274995 0.546877
|
||
|
|
5 2.447030 0.395190
|
||
|
|
6 0.995060 -1.269725
|
||
|
|
7 0.403973 0.179966
|
||
|
|
8 0.154810 0.644577
|
||
|
|
P 8
|
||
|
|
1 245.3303 -0.003529
|
||
|
|
2 56.91901 -0.036530
|
||
|
|
3 17.60457 -0.214649
|
||
|
|
4 6.274995 -1.030307
|
||
|
|
5 2.447030 1.592455
|
||
|
|
6 0.995060 -0.321087
|
||
|
|
7 0.403973 -1.096566
|
||
|
|
8 0.154810 1.002414
|
||
|
|
D 6
|
||
|
|
1 16.01 -0.010626
|
||
|
|
2 6.40 -0.055418
|
||
|
|
3 2.56 -0.354098
|
||
|
|
4 1.02 -0.545329
|
||
|
|
5 0.41 -0.207019
|
||
|
|
6 0.16 -0.020040
|
||
|
|
D 6
|
||
|
|
1 16.01 -0.009184
|
||
|
|
2 6.40 -0.211056
|
||
|
|
3 2.56 -0.776653
|
||
|
|
4 1.02 0.327502
|
||
|
|
5 0.41 0.595853
|
||
|
|
6 0.16 0.047261
|
||
|
|
D 6
|
||
|
|
1 16.01 0.009537
|
||
|
|
2 6.40 -0.748953
|
||
|
|
3 2.56 -0.050937
|
||
|
|
4 1.02 1.193008
|
||
|
|
5 0.41 -1.026690
|
||
|
|
6 0.16 -0.073271
|
||
|
|
F 4
|
||
|
|
1 7.68 0.027929
|
||
|
|
2 3.07 0.352296
|
||
|
|
3 1.23 0.601979
|
||
|
|
4 0.49 0.204756
|
||
|
|
F 4
|
||
|
|
1 7.68 0.170267
|
||
|
|
2 3.07 0.822597
|
||
|
|
3 1.23 -0.365360
|
||
|
|
4 0.49 -0.556483
|
||
|
|
G 2
|
||
|
|
1 3.69 0.242250
|
||
|
|
2 1.48 0.484800
|
||
|
|
|
||
|
|
NEON
|
||
|
|
S 13
|
||
|
|
1 166165.1 -0.000047
|
||
|
|
2 23107.52 -0.000401
|
||
|
|
3 5060.154 -0.002193
|
||
|
|
4 1384.612 -0.009588
|
||
|
|
5 436.5126 -0.035074
|
||
|
|
6 153.4715 -0.104652
|
||
|
|
7 59.38909 -0.237715
|
||
|
|
8 24.86197 -0.369603
|
||
|
|
9 11.01570 -0.306176
|
||
|
|
10 4.965175 -0.084181
|
||
|
|
11 1.936503 -0.003726
|
||
|
|
12 0.765728 -0.000906
|
||
|
|
13 0.295538 -0.000097
|
||
|
|
S 13
|
||
|
|
1 166165.1 0.000011
|
||
|
|
2 23107.52 0.000094
|
||
|
|
3 5060.154 0.000518
|
||
|
|
4 1384.612 0.002266
|
||
|
|
5 436.5126 0.008454
|
||
|
|
6 153.4715 0.026049
|
||
|
|
7 59.38909 0.065296
|
||
|
|
8 24.86197 0.122338
|
||
|
|
9 11.01570 0.158177
|
||
|
|
10 4.965175 0.006805
|
||
|
|
11 1.936503 -0.384026
|
||
|
|
12 0.765728 -0.536453
|
||
|
|
13 0.295538 -0.215301
|
||
|
|
S 13
|
||
|
|
1 166165.1 0.000014
|
||
|
|
2 23107.52 0.000118
|
||
|
|
3 5060.154 0.000664
|
||
|
|
4 1384.612 0.002819
|
||
|
|
5 436.5126 0.010980
|
||
|
|
6 153.4715 0.032457
|
||
|
|
7 59.38909 0.089380
|
||
|
|
8 24.86197 0.155650
|
||
|
|
9 11.01570 0.294009
|
||
|
|
10 4.965175 -0.205604
|
||
|
|
11 1.936503 -1.358461
|
||
|
|
12 0.765728 0.538444
|
||
|
|
13 0.295538 0.779587
|
||
|
|
S 13
|
||
|
|
1 166165.1 0.000020
|
||
|
|
2 23107.52 0.000145
|
||
|
|
3 5060.154 0.000986
|
||
|
|
4 1384.612 0.003257
|
||
|
|
5 436.5126 0.017425
|
||
|
|
6 153.4715 0.034769
|
||
|
|
7 59.38909 0.168618
|
||
|
|
8 24.86197 0.121079
|
||
|
|
9 11.01570 0.892687
|
||
|
|
10 4.965175 -2.266433
|
||
|
|
11 1.936503 0.503499
|
||
|
|
12 0.765728 1.900048
|
||
|
|
13 0.295538 -1.557561
|
||
|
|
S 13
|
||
|
|
1 166165.1 0.000020
|
||
|
|
2 23107.52 0.000233
|
||
|
|
3 5060.154 0.000773
|
||
|
|
4 1384.612 0.006368
|
||
|
|
5 436.5126 0.010250
|
||
|
|
6 153.4715 0.092651
|
||
|
|
7 59.38909 0.046375
|
||
|
|
8 24.86197 0.809354
|
||
|
|
9 11.01570 -0.351813
|
||
|
|
10 4.965175 -2.760272
|
||
|
|
11 1.936503 4.996421
|
||
|
|
12 0.765728 -4.433914
|
||
|
|
13 0.295538 1.881727
|
||
|
|
P 8
|
||
|
|
1 234.9450 0.001583
|
||
|
|
2 55.07739 0.012576
|
||
|
|
3 17.38955 0.056998
|
||
|
|
4 6.389537 0.168176
|
||
|
|
5 2.542082 0.307218
|
||
|
|
6 1.033764 0.359320
|
||
|
|
7 0.418788 0.277782
|
||
|
|
8 0.164627 0.095940
|
||
|
|
P 8
|
||
|
|
1 234.9450 0.002212
|
||
|
|
2 55.07739 0.018574
|
||
|
|
3 17.38955 0.081483
|
||
|
|
4 6.389537 0.293860
|
||
|
|
5 2.542082 0.540769
|
||
|
|
6 1.033764 -0.095210
|
||
|
|
7 0.418788 -0.607276
|
||
|
|
8 0.164627 -0.246871
|
||
|
|
P 8
|
||
|
|
1 234.9450 0.003426
|
||
|
|
2 55.07739 0.036509
|
||
|
|
3 17.38955 0.144993
|
||
|
|
4 6.389537 0.739066
|
||
|
|
5 2.542082 -0.121854
|
||
|
|
6 1.033764 -1.203908
|
||
|
|
7 0.418788 0.637119
|
||
|
|
8 0.164627 0.370506
|
||
|
|
P 8
|
||
|
|
1 234.9450 0.007793
|
||
|
|
2 55.07739 0.040782
|
||
|
|
3 17.38955 0.439186
|
||
|
|
4 6.389537 0.773263
|
||
|
|
5 2.542082 -2.139612
|
||
|
|
6 1.033764 1.673826
|
||
|
|
7 0.418788 -0.078819
|
||
|
|
8 0.164627 -0.596945
|
||
|
|
D 6
|
||
|
|
1 19.76 0.011914
|
||
|
|
2 7.91 0.061798
|
||
|
|
3 3.16 0.370852
|
||
|
|
4 1.26 0.537473
|
||
|
|
5 0.51 0.191842
|
||
|
|
6 0.20 0.020017
|
||
|
|
D 6
|
||
|
|
1 19.76 0.011580
|
||
|
|
2 7.91 0.234597
|
||
|
|
3 3.16 0.759752
|
||
|
|
4 1.26 -0.363052
|
||
|
|
5 0.51 -0.574924
|
||
|
|
6 0.20 -0.049291
|
||
|
|
D 6
|
||
|
|
1 19.76 -0.003903
|
||
|
|
2 7.91 0.786085
|
||
|
|
3 3.16 -0.040908
|
||
|
|
4 1.26 -1.133020
|
||
|
|
5 0.51 1.028387
|
||
|
|
6 0.20 0.062378
|
||
|
|
F 4
|
||
|
|
1 9.49 0.026660
|
||
|
|
2 3.79 0.387758
|
||
|
|
3 1.52 0.608593
|
||
|
|
4 0.61 0.149002
|
||
|
|
F 4
|
||
|
|
1 9.49 -0.208206
|
||
|
|
2 3.79 -0.797617
|
||
|
|
3 1.52 0.436453
|
||
|
|
4 0.61 0.521925
|
||
|
|
G 2
|
||
|
|
1 4.55 -0.251480
|
||
|
|
2 1.82 -0.477401
|
||
|
|
|
||
|
|
ALUMINUM
|
||
|
|
S 20
|
||
|
|
1 446287.3 -0.000022
|
||
|
|
2 192715.4 -0.000008
|
||
|
|
3 83218.17 -0.000099
|
||
|
|
4 35935.19 -0.000202
|
||
|
|
5 15517.50 -0.000655
|
||
|
|
6 6700.754 -0.001798
|
||
|
|
7 2893.513 -0.005134
|
||
|
|
8 1249.474 -0.014384
|
||
|
|
9 539.5468 -0.039042
|
||
|
|
10 232.9866 -0.100228
|
||
|
|
11 100.6081 -0.222149
|
||
|
|
12 43.44448 -0.370884
|
||
|
|
13 18.76016 -0.319359
|
||
|
|
14 8.100993 -0.075862
|
||
|
|
15 3.498164 -0.002455
|
||
|
|
16 1.510574 -0.000886
|
||
|
|
17 0.652295 -0.000039
|
||
|
|
18 0.281673 0.000018
|
||
|
|
19 0.121632 -0.000011
|
||
|
|
20 0.052523 0.000005
|
||
|
|
S 20
|
||
|
|
1 446287.3 0.000006
|
||
|
|
2 192715.4 0.000002
|
||
|
|
3 83218.17 0.000026
|
||
|
|
4 35935.19 0.000053
|
||
|
|
5 15517.50 0.000171
|
||
|
|
6 6700.754 0.000468
|
||
|
|
7 2893.513 0.001342
|
||
|
|
8 1249.474 0.003789
|
||
|
|
9 539.5468 0.010467
|
||
|
|
10 232.9866 0.027947
|
||
|
|
11 100.6081 0.067613
|
||
|
|
12 43.44448 0.138053
|
||
|
|
13 18.76016 0.178639
|
||
|
|
14 8.100993 -0.002875
|
||
|
|
15 3.498164 -0.417521
|
||
|
|
16 1.510574 -0.553154
|
||
|
|
17 0.652295 -0.155293
|
||
|
|
18 0.281673 0.002837
|
||
|
|
19 0.121632 -0.002272
|
||
|
|
20 0.052523 0.000476
|
||
|
|
S 20
|
||
|
|
1 446287.3 0.000002
|
||
|
|
2 192715.4 0.000001
|
||
|
|
3 83218.17 0.000008
|
||
|
|
4 35935.19 0.000016
|
||
|
|
5 15517.50 0.000054
|
||
|
|
6 6700.754 0.000143
|
||
|
|
7 2893.513 0.000424
|
||
|
|
8 1249.474 0.001164
|
||
|
|
9 539.5468 0.003308
|
||
|
|
10 232.9866 0.008661
|
||
|
|
11 100.6081 0.021643
|
||
|
|
12 43.44448 0.043934
|
||
|
|
13 18.76016 0.062028
|
||
|
|
14 8.100993 -0.007907
|
||
|
|
15 3.498164 -0.172531
|
||
|
|
16 1.510574 -0.390658
|
||
|
|
17 0.652295 -0.316818
|
||
|
|
18 0.281673 1.810978
|
||
|
|
19 0.121632 -0.196424
|
||
|
|
20 0.052523 -1.096358
|
||
|
|
S 19
|
||
|
|
1 446287.3 0.000001
|
||
|
|
2 83218.17 0.000006
|
||
|
|
3 35935.19 0.000012
|
||
|
|
4 15517.50 0.000040
|
||
|
|
5 6700.754 0.000108
|
||
|
|
6 2893.513 0.000313
|
||
|
|
7 1249.474 0.000877
|
||
|
|
8 539.5468 0.002446
|
||
|
|
9 232.9866 0.006502
|
||
|
|
10 100.6081 0.015947
|
||
|
|
11 43.44448 0.032830
|
||
|
|
12 18.76016 0.044489
|
||
|
|
13 8.100993 -0.002118
|
||
|
|
14 3.498164 -0.119075
|
||
|
|
15 1.510574 -0.243527
|
||
|
|
16 0.652295 -0.184158
|
||
|
|
17 0.281673 0.299091
|
||
|
|
18 0.121632 0.637516
|
||
|
|
19 0.052523 0.282280
|
||
|
|
S 19
|
||
|
|
1 446287.3 -0.000003
|
||
|
|
2 83218.17 -0.000015
|
||
|
|
3 35935.19 -0.000011
|
||
|
|
4 15517.50 -0.000102
|
||
|
|
5 6700.754 -0.000128
|
||
|
|
6 2893.513 -0.000757
|
||
|
|
7 1249.474 -0.001180
|
||
|
|
8 539.5468 -0.005633
|
||
|
|
9 232.9866 -0.009364
|
||
|
|
10 100.6081 -0.036785
|
||
|
|
11 43.44448 -0.045064
|
||
|
|
12 18.76016 -0.129556
|
||
|
|
13 8.100993 0.124695
|
||
|
|
14 3.498164 0.031752
|
||
|
|
15 1.510574 1.351290
|
||
|
|
16 0.652295 -1.812829
|
||
|
|
17 0.281673 -1.251399
|
||
|
|
18 0.121632 3.693235
|
||
|
|
19 0.052523 -2.208926
|
||
|
|
S 19
|
||
|
|
1 446287.3 0.000004
|
||
|
|
2 83218.17 0.000022
|
||
|
|
3 35935.19 0.000023
|
||
|
|
4 15517.50 0.000145
|
||
|
|
5 6700.754 0.000234
|
||
|
|
6 2893.513 0.001086
|
||
|
|
7 1249.474 0.002065
|
||
|
|
8 539.5468 0.008148
|
||
|
|
9 232.9866 0.016495
|
||
|
|
10 100.6081 0.054418
|
||
|
|
11 43.44448 0.082752
|
||
|
|
12 18.76016 0.190719
|
||
|
|
13 8.100993 -0.226908
|
||
|
|
14 3.498164 -0.316810
|
||
|
|
15 1.510574 -1.830450
|
||
|
|
16 0.652295 6.109718
|
||
|
|
17 0.281673 -7.932830
|
||
|
|
18 0.121632 5.940530
|
||
|
|
19 0.052523 -2.205402
|
||
|
|
P 13
|
||
|
|
1 1086.697 -0.000265
|
||
|
|
2 439.5274 -0.000782
|
||
|
|
3 177.7720 -0.004130
|
||
|
|
4 71.90196 -0.017006
|
||
|
|
5 29.08159 -0.063666
|
||
|
|
6 11.76239 -0.187080
|
||
|
|
7 4.757435 -0.360806
|
||
|
|
8 1.924200 -0.405218
|
||
|
|
9 0.778265 -0.179523
|
||
|
|
10 0.314778 -0.009035
|
||
|
|
11 0.127316 -0.003534
|
||
|
|
12 0.051494 0.001306
|
||
|
|
13 0.020827 -0.000488
|
||
|
|
P 13
|
||
|
|
1 1086.697 -0.000050
|
||
|
|
2 439.5274 -0.000149
|
||
|
|
3 177.7720 -0.000777
|
||
|
|
4 71.90196 -0.003237
|
||
|
|
5 29.08159 -0.012184
|
||
|
|
6 11.76239 -0.036704
|
||
|
|
7 4.757435 -0.071795
|
||
|
|
8 1.924200 -0.087493
|
||
|
|
9 0.778265 -0.030591
|
||
|
|
10 0.314778 0.229434
|
||
|
|
11 0.127316 0.501670
|
||
|
|
12 0.051494 0.368084
|
||
|
|
13 0.020827 0.052482
|
||
|
|
P 13
|
||
|
|
1 1086.697 -0.000063
|
||
|
|
2 439.5274 -0.000170
|
||
|
|
3 177.7720 -0.000982
|
||
|
|
4 71.90196 -0.003832
|
||
|
|
5 29.08159 -0.014997
|
||
|
|
6 11.76239 -0.043493
|
||
|
|
7 4.757435 -0.091430
|
||
|
|
8 1.924200 -0.107408
|
||
|
|
9 0.778265 -0.137066
|
||
|
|
10 0.314778 0.817866
|
||
|
|
11 0.127316 0.388483
|
||
|
|
12 0.051494 -0.949857
|
||
|
|
13 0.020827 -0.146913
|
||
|
|
P 13
|
||
|
|
1 1086.697 -0.000035
|
||
|
|
2 439.5274 -0.000532
|
||
|
|
3 177.7720 -0.000558
|
||
|
|
4 71.90196 -0.008459
|
||
|
|
5 29.08159 -0.014267
|
||
|
|
6 11.76239 -0.088060
|
||
|
|
7 4.757435 -0.083572
|
||
|
|
8 1.924200 -0.356544
|
||
|
|
9 0.778265 0.345581
|
||
|
|
10 0.314778 1.442860
|
||
|
|
11 0.127316 -2.240619
|
||
|
|
12 0.051494 0.983724
|
||
|
|
13 0.020827 0.239809
|
||
|
|
P 13
|
||
|
|
1 1086.697 -0.000023
|
||
|
|
2 439.5274 -0.001228
|
||
|
|
3 177.7720 -0.000404
|
||
|
|
4 71.90196 -0.018592
|
||
|
|
5 29.08159 -0.022672
|
||
|
|
6 11.76239 -0.196101
|
||
|
|
7 4.757435 -0.128689
|
||
|
|
8 1.924200 -0.761449
|
||
|
|
9 0.778265 2.640352
|
||
|
|
10 0.314778 -2.786699
|
||
|
|
11 0.127316 1.468811
|
||
|
|
12 0.051494 0.002612
|
||
|
|
13 0.020827 -0.510805
|
||
|
|
D 6
|
||
|
|
1 3.07 0.012695
|
||
|
|
2 1.23 0.007830
|
||
|
|
3 0.49 0.173939
|
||
|
|
4 0.20 0.592145
|
||
|
|
5 0.08 0.352372
|
||
|
|
6 0.03 0.017019
|
||
|
|
D 6
|
||
|
|
1 3.07 0.028205
|
||
|
|
2 1.23 -0.133443
|
||
|
|
3 0.49 0.739803
|
||
|
|
4 0.20 0.329582
|
||
|
|
5 0.08 -0.939027
|
||
|
|
6 0.03 -0.053449
|
||
|
|
D 6
|
||
|
|
1 3.07 0.081998
|
||
|
|
2 1.23 0.122054
|
||
|
|
3 0.49 -1.555212
|
||
|
|
4 0.20 1.952965
|
||
|
|
5 0.08 -0.932190
|
||
|
|
6 0.03 -0.189257
|
||
|
|
F 4
|
||
|
|
1 1.58 0.021013
|
||
|
|
2 0.63 -0.142686
|
||
|
|
3 0.25 -0.685988
|
||
|
|
4 0.1 -0.318534
|
||
|
|
F 4
|
||
|
|
1 1.58 -0.149642
|
||
|
|
2 0.63 0.778278
|
||
|
|
3 0.25 0.227638
|
||
|
|
4 0.1 -0.864127
|
||
|
|
G 2
|
||
|
|
1 1.06 -0.084737
|
||
|
|
2 0.42 -0.232140
|
||
|
|
|
||
|
|
PHOSPHORUS
|
||
|
|
S 18
|
||
|
|
1 1948462. 0.000006
|
||
|
|
2 291808.8 0.000046
|
||
|
|
3 66414.49 0.000239
|
||
|
|
4 18812.82 0.001011
|
||
|
|
5 6137.677 0.003667
|
||
|
|
6 2215.792 0.011827
|
||
|
|
7 864.2240 0.034203
|
||
|
|
8 358.3963 0.087565
|
||
|
|
9 156.1584 0.189405
|
||
|
|
10 70.83940 0.315500
|
||
|
|
11 33.20326 0.332462
|
||
|
|
12 15.77306 0.158936
|
||
|
|
13 6.641184 0.017679
|
||
|
|
14 3.067501 -0.000625
|
||
|
|
15 1.416215 0.000726
|
||
|
|
16 0.470811 -0.000224
|
||
|
|
17 0.211579 0.000106
|
||
|
|
18 0.088777 -0.000033
|
||
|
|
S 18
|
||
|
|
1 1948462. 0.000002
|
||
|
|
2 291808.8 0.000012
|
||
|
|
3 66414.49 0.000065
|
||
|
|
4 18812.82 0.000274
|
||
|
|
5 6137.677 0.001001
|
||
|
|
6 2215.792 0.003239
|
||
|
|
7 864.2240 0.009555
|
||
|
|
8 358.3963 0.025249
|
||
|
|
9 156.1584 0.059367
|
||
|
|
10 70.83940 0.115238
|
||
|
|
11 33.20326 0.169620
|
||
|
|
12 15.77306 0.098439
|
||
|
|
13 6.641184 -0.244163
|
||
|
|
14 3.067501 -0.564563
|
||
|
|
15 1.416215 -0.334720
|
||
|
|
16 0.470811 -0.023480
|
||
|
|
17 0.211579 0.004239
|
||
|
|
18 0.088777 -0.001179
|
||
|
|
S 18
|
||
|
|
1 1948462. -0.000001
|
||
|
|
2 291808.8 -0.000004
|
||
|
|
3 66414.49 -0.000023
|
||
|
|
4 18812.82 -0.000094
|
||
|
|
5 6137.677 -0.000353
|
||
|
|
6 2215.792 -0.001109
|
||
|
|
7 864.2240 -0.003397
|
||
|
|
8 358.3963 -0.008634
|
||
|
|
9 156.1584 -0.021642
|
||
|
|
10 70.83940 -0.039862
|
||
|
|
11 33.20326 -0.068305
|
||
|
|
12 15.77306 -0.029620
|
||
|
|
13 6.641184 0.110509
|
||
|
|
14 3.067501 0.381690
|
||
|
|
15 1.416215 0.408647
|
||
|
|
16 0.470811 -1.872574
|
||
|
|
17 0.211579 0.364059
|
||
|
|
18 0.088777 1.043061
|
||
|
|
S 18
|
||
|
|
1 1948462. -0.000001
|
||
|
|
2 291808.8 -0.000005
|
||
|
|
3 66414.49 -0.000033
|
||
|
|
4 18812.82 -0.000107
|
||
|
|
5 6137.677 -0.000542
|
||
|
|
6 2215.792 -0.001151
|
||
|
|
7 864.2240 -0.005572
|
||
|
|
8 358.3963 -0.007844
|
||
|
|
9 156.1584 -0.039408
|
||
|
|
10 70.83940 -0.024415
|
||
|
|
11 33.20326 -0.162834
|
||
|
|
12 15.77306 0.105766
|
||
|
|
13 6.641184 -0.162066
|
||
|
|
14 3.067501 1.491696
|
||
|
|
15 1.416215 -1.190097
|
||
|
|
16 0.470811 -2.223143
|
||
|
|
17 0.211579 4.240841
|
||
|
|
18 0.088777 -2.327339
|
||
|
|
S 18
|
||
|
|
1 1948462. -0.000001
|
||
|
|
2 291808.8 -0.000009
|
||
|
|
3 66414.49 -0.000063
|
||
|
|
4 18812.82 -0.000189
|
||
|
|
5 6137.677 -0.001043
|
||
|
|
6 2215.792 -0.001974
|
||
|
|
7 864.2240 -0.010920
|
||
|
|
8 358.3963 -0.012978
|
||
|
|
9 156.1584 -0.080204
|
||
|
|
10 70.83940 -0.034087
|
||
|
|
11 33.20326 -0.365113
|
||
|
|
12 15.77306 0.338842
|
||
|
|
13 6.641184 -0.113146
|
||
|
|
14 3.067501 2.959416
|
||
|
|
15 1.416215 -5.513378
|
||
|
|
16 0.470811 6.180165
|
||
|
|
17 0.211579 -5.096540
|
||
|
|
18 0.088777 1.830261
|
||
|
|
S 17
|
||
|
|
1 291808.8 0.000003
|
||
|
|
2 66414.49 0.000018
|
||
|
|
3 18812.82 0.000076
|
||
|
|
4 6137.677 0.000277
|
||
|
|
5 2215.792 0.000892
|
||
|
|
6 864.2240 0.002648
|
||
|
|
7 358.3963 0.006978
|
||
|
|
8 156.1584 0.016644
|
||
|
|
9 70.83940 0.032456
|
||
|
|
10 33.20326 0.049999
|
||
|
|
11 15.77306 0.028933
|
||
|
|
12 6.641184 -0.080043
|
||
|
|
13 3.067501 -0.254941
|
||
|
|
14 1.416215 -0.275550
|
||
|
|
15 0.470811 0.325504
|
||
|
|
16 0.211579 0.646168
|
||
|
|
17 0.088777 0.247194
|
||
|
|
P 13
|
||
|
|
1 2956.262 0.000110
|
||
|
|
2 700.2848 0.000969
|
||
|
|
3 227.3139 0.005399
|
||
|
|
4 86.56184 0.022171
|
||
|
|
5 36.33386 0.070711
|
||
|
|
6 16.29347 0.171535
|
||
|
|
7 7.578966 0.300225
|
||
|
|
8 3.578859 0.360617
|
||
|
|
9 1.698042 0.235640
|
||
|
|
10 0.763358 0.048380
|
||
|
|
11 0.342119 0.000072
|
||
|
|
12 0.148620 0.000993
|
||
|
|
13 0.062345 -0.000187
|
||
|
|
P 13
|
||
|
|
1 2956.262 0.000026
|
||
|
|
2 700.2848 0.000233
|
||
|
|
3 227.3139 0.001301
|
||
|
|
4 86.56184 0.005380
|
||
|
|
5 36.33386 0.017407
|
||
|
|
6 16.29347 0.043301
|
||
|
|
7 7.578966 0.077458
|
||
|
|
8 3.578859 0.098345
|
||
|
|
9 1.698042 0.060703
|
||
|
|
10 0.763358 -0.141890
|
||
|
|
11 0.342119 -0.422219
|
||
|
|
12 0.148620 -0.441605
|
||
|
|
13 0.062345 -0.153297
|
||
|
|
P 13
|
||
|
|
1 2956.262 -0.000035
|
||
|
|
2 700.2848 -0.000289
|
||
|
|
3 227.3139 -0.001714
|
||
|
|
4 86.56184 -0.006667
|
||
|
|
5 36.33386 -0.022979
|
||
|
|
6 16.29347 -0.053361
|
||
|
|
7 7.578966 -0.107915
|
||
|
|
8 3.578859 -0.107998
|
||
|
|
9 1.698042 -0.167154
|
||
|
|
10 0.763358 0.528248
|
||
|
|
11 0.342119 0.794933
|
||
|
|
12 0.148620 -0.714293
|
||
|
|
13 0.062345 -0.490726
|
||
|
|
P 13
|
||
|
|
1 2956.262 -0.000054
|
||
|
|
2 700.2848 -0.000515
|
||
|
|
3 227.3139 -0.002699
|
||
|
|
4 86.56184 -0.012086
|
||
|
|
5 36.33386 -0.036192
|
||
|
|
6 16.29347 -0.102554
|
||
|
|
7 7.578966 -0.171587
|
||
|
|
8 3.578859 -0.211741
|
||
|
|
9 1.698042 -0.042557
|
||
|
|
10 0.763358 1.819462
|
||
|
|
11 0.342119 -1.685200
|
||
|
|
12 0.148620 -0.228031
|
||
|
|
13 0.062345 0.843544
|
||
|
|
P 13
|
||
|
|
1 2956.262 0.000057
|
||
|
|
2 700.2848 0.001226
|
||
|
|
3 227.3139 0.002907
|
||
|
|
4 86.56184 0.029584
|
||
|
|
5 36.33386 0.039702
|
||
|
|
6 16.29347 0.283076
|
||
|
|
7 7.578966 0.051994
|
||
|
|
8 3.578859 0.887569
|
||
|
|
9 1.698042 -2.517965
|
||
|
|
10 0.763358 1.669612
|
||
|
|
11 0.342119 0.568002
|
||
|
|
12 0.148620 -1.781050
|
||
|
|
13 0.062345 1.161436
|
||
|
|
D 6
|
||
|
|
1 4.60 -0.019876
|
||
|
|
2 1.84 -0.017841
|
||
|
|
3 0.74 -0.326571
|
||
|
|
4 0.29 -0.608418
|
||
|
|
5 0.12 -0.178895
|
||
|
|
6 0.047 -0.010694
|
||
|
|
D 6
|
||
|
|
1 4.60 0.006354
|
||
|
|
2 1.84 0.095553
|
||
|
|
3 0.74 -1.009810
|
||
|
|
4 0.29 0.269899
|
||
|
|
5 0.12 0.735615
|
||
|
|
6 0.047 -0.027012
|
||
|
|
D 6
|
||
|
|
1 4.60 0.185220
|
||
|
|
2 1.84 -0.374420
|
||
|
|
3 0.74 -0.879255
|
||
|
|
4 0.29 1.894539
|
||
|
|
5 0.12 -1.437576
|
||
|
|
6 0.047 0.114688
|
||
|
|
F 4
|
||
|
|
1 2.21 0.022867
|
||
|
|
2 0.88 -0.315256
|
||
|
|
3 0.35 -0.695736
|
||
|
|
4 0.14 -0.136446
|
||
|
|
F 4
|
||
|
|
1 2.21 -0.115282
|
||
|
|
2 0.88 1.091764
|
||
|
|
3 0.35 -0.490259
|
||
|
|
4 0.14 -0.504323
|
||
|
|
G 2
|
||
|
|
1 1.06 -0.084737
|
||
|
|
2 0.42 -0.232140
|
||
|
|
|
||
|
|
TITANIUM
|
||
|
|
S 20
|
||
|
|
1 5309148.1 0.000004
|
||
|
|
2 794951.65 0.000034
|
||
|
|
3 180907.56 0.000180
|
||
|
|
4 51241.933 0.000759
|
||
|
|
5 16717.449 0.002757
|
||
|
|
6 6035.2659 0.008925
|
||
|
|
7 2353.8571 0.026062
|
||
|
|
8 976.14646 0.068190
|
||
|
|
9 425.43563 0.154349
|
||
|
|
10 193.04677 0.280281
|
||
|
|
11 90.439369 0.348398
|
||
|
|
12 43.020713 0.221706
|
||
|
|
13 19.190555 0.040021
|
||
|
|
14 9.4257164 -0.002138
|
||
|
|
15 4.6052434 0.001721
|
||
|
|
16 2.0378343 -0.000802
|
||
|
|
17 0.9800318 0.000357
|
||
|
|
18 0.4456254 -0.000146
|
||
|
|
19 0.1064170 0.000055
|
||
|
|
20 0.0525705 -0.000048
|
||
|
|
S 20
|
||
|
|
1 5309148.1 -0.000001
|
||
|
|
2 794951.65 -0.000010
|
||
|
|
3 180907.56 -0.000053
|
||
|
|
4 51241.933 -0.000224
|
||
|
|
5 16717.449 -0.000818
|
||
|
|
6 6035.2659 -0.002659
|
||
|
|
7 2353.8571 -0.007879
|
||
|
|
8 976.14646 -0.021222
|
||
|
|
9 425.43563 -0.051422
|
||
|
|
10 193.04677 -0.106701
|
||
|
|
11 90.439369 -0.174682
|
||
|
|
12 43.020713 -0.156040
|
||
|
|
13 19.190555 0.129303
|
||
|
|
14 9.4257164 0.538462
|
||
|
|
15 4.6052434 0.435726
|
||
|
|
16 2.0378343 0.068121
|
||
|
|
17 0.9800318 -0.002443
|
||
|
|
18 0.4456254 0.001966
|
||
|
|
19 0.1064170 -0.000440
|
||
|
|
20 0.0525705 0.000392
|
||
|
|
S 20
|
||
|
|
1 5309148.1 -0.000011
|
||
|
|
2 794951.65 0.000087
|
||
|
|
3 180907.56 -0.000055
|
||
|
|
4 51241.933 -0.000015
|
||
|
|
5 16717.449 -0.000138
|
||
|
|
6 6035.2659 -0.000389
|
||
|
|
7 2353.8571 -0.001261
|
||
|
|
8 976.14646 -0.003106
|
||
|
|
9 425.43563 -0.008501
|
||
|
|
10 193.04677 -0.015420
|
||
|
|
11 90.439369 -0.032454
|
||
|
|
12 43.020713 -0.018895
|
||
|
|
13 19.190555 0.003542
|
||
|
|
14 9.4257164 0.200331
|
||
|
|
15 4.6052434 0.119204
|
||
|
|
16 2.0378343 0.057966
|
||
|
|
17 0.9800318 -1.023822
|
||
|
|
18 0.4456254 0.273519
|
||
|
|
19 0.1064170 2.047855
|
||
|
|
20 0.0525705 -1.191405
|
||
|
|
S 20
|
||
|
|
1 5309148.1 -0.000027
|
||
|
|
2 794951.65 0.000143
|
||
|
|
3 180907.56 -0.000467
|
||
|
|
4 51241.933 0.001839
|
||
|
|
5 16717.449 -0.001563
|
||
|
|
6 6035.2659 0.000044
|
||
|
|
7 2353.8571 -0.002250
|
||
|
|
8 976.14646 -0.004663
|
||
|
|
9 425.43563 -0.013189
|
||
|
|
10 193.04677 -0.023380
|
||
|
|
11 90.439369 -0.051757
|
||
|
|
12 43.020713 -0.025104
|
||
|
|
13 19.190555 -0.007924
|
||
|
|
14 9.4257164 0.360594
|
||
|
|
15 4.6052434 0.164091
|
||
|
|
16 2.0378343 0.023936
|
||
|
|
17 0.9800318 -2.356403
|
||
|
|
18 0.4456254 2.684618
|
||
|
|
19 0.1064170 -0.033120
|
||
|
|
20 0.0525705 -2.366239
|
||
|
|
S 19
|
||
|
|
1 794951.65 0.000004
|
||
|
|
2 180907.56 0.000018
|
||
|
|
3 51241.933 0.000078
|
||
|
|
4 16717.449 0.000284
|
||
|
|
5 6035.2659 0.000923
|
||
|
|
6 2353.8571 0.002742
|
||
|
|
7 976.14646 0.007400
|
||
|
|
8 425.43563 0.018119
|
||
|
|
9 193.04677 0.038103
|
||
|
|
10 90.439369 0.064879
|
||
|
|
11 43.020713 0.060671
|
||
|
|
12 19.190555 -0.055249
|
||
|
|
13 9.4257164 -0.312603
|
||
|
|
14 4.6052434 -0.401656
|
||
|
|
15 2.0378343 0.171687
|
||
|
|
16 0.9800318 0.689493
|
||
|
|
17 0.4456254 0.394215
|
||
|
|
18 0.1064170 0.025701
|
||
|
|
19 0.0525705 -0.009829
|
||
|
|
S 19
|
||
|
|
1 794951.65 -0.000001
|
||
|
|
2 180907.56 -0.000005
|
||
|
|
3 51241.933 -0.000020
|
||
|
|
4 16717.449 -0.000072
|
||
|
|
5 6035.2659 -0.000233
|
||
|
|
6 2353.8571 -0.000694
|
||
|
|
7 976.14646 -0.001870
|
||
|
|
8 425.43563 -0.004586
|
||
|
|
9 193.04677 -0.009641
|
||
|
|
10 90.439369 -0.016477
|
||
|
|
11 43.020713 -0.015436
|
||
|
|
12 19.190555 0.014060
|
||
|
|
13 9.4257164 0.083681
|
||
|
|
14 4.6052434 0.112482
|
||
|
|
15 2.0378343 -0.058959
|
||
|
|
16 0.9800318 -0.251977
|
||
|
|
17 0.4456254 -0.280924
|
||
|
|
18 0.1064170 0.345554
|
||
|
|
19 0.0525705 0.619130
|
||
|
|
S 1
|
||
|
|
1 0.0243568 1.0
|
||
|
|
P 15
|
||
|
|
1 7999.8045 0.000088
|
||
|
|
2 1894.4515 0.000777
|
||
|
|
3 615.18748 0.004404
|
||
|
|
4 234.92741 0.018664
|
||
|
|
5 99.213753 0.062070
|
||
|
|
6 44.916140 0.159077
|
||
|
|
7 21.249717 0.296964
|
||
|
|
8 10.330458 0.368813
|
||
|
|
9 5.1049799 0.234829
|
||
|
|
10 2.4406904 0.049347
|
||
|
|
11 1.1512050 0.000987
|
||
|
|
12 0.5295556 0.000804
|
||
|
|
13 0.2211900 -0.000220
|
||
|
|
14 0.088 0.000102
|
||
|
|
15 0.035 -0.000052
|
||
|
|
P 15
|
||
|
|
1 7999.8045 -0.000029
|
||
|
|
2 1894.4515 -0.000260
|
||
|
|
3 615.18748 -0.001473
|
||
|
|
4 234.92741 -0.006316
|
||
|
|
5 99.213753 -0.021338
|
||
|
|
6 44.916140 -0.056771
|
||
|
|
7 21.249717 -0.109794
|
||
|
|
8 10.330458 -0.147167
|
||
|
|
9 5.1049799 -0.055063
|
||
|
|
10 2.4406904 0.244958
|
||
|
|
11 1.1512050 0.472245
|
||
|
|
12 0.5295556 0.360512
|
||
|
|
13 0.2211900 0.081128
|
||
|
|
14 0.088 -0.001509
|
||
|
|
15 0.035 0.002163
|
||
|
|
P 15
|
||
|
|
1 7999.8045 0.000009
|
||
|
|
2 1894.4515 0.000080
|
||
|
|
3 615.18748 0.000463
|
||
|
|
4 234.92741 0.001957
|
||
|
|
5 99.213753 0.006722
|
||
|
|
6 44.916140 0.017642
|
||
|
|
7 21.249717 0.034953
|
||
|
|
8 10.330458 0.045819
|
||
|
|
9 5.1049799 0.018077
|
||
|
|
10 2.4406904 -0.095217
|
||
|
|
11 1.1512050 -0.173268
|
||
|
|
12 0.5295556 -0.188422
|
||
|
|
13 0.2211900 0.240792
|
||
|
|
14 0.088 0.713435
|
||
|
|
15 0.035 0.206950
|
||
|
|
P 15
|
||
|
|
1 7999.8045 -0.000271
|
||
|
|
2 1894.4515 0.000241
|
||
|
|
3 615.18748 0.000941
|
||
|
|
4 234.92741 0.003634
|
||
|
|
5 99.213753 0.013130
|
||
|
|
6 44.916140 0.034302
|
||
|
|
7 21.249717 0.066544
|
||
|
|
8 10.330458 0.097163
|
||
|
|
9 5.1049799 0.027816
|
||
|
|
10 2.4406904 -0.181878
|
||
|
|
11 1.1512050 -0.592254
|
||
|
|
12 0.5295556 0.126350
|
||
|
|
13 0.2211900 1.297233
|
||
|
|
14 0.088 -0.558772
|
||
|
|
15 0.035 -0.523505
|
||
|
|
P 15
|
||
|
|
1 7999.8045 -0.000927
|
||
|
|
2 1894.4515 0.004183
|
||
|
|
3 615.18748 -0.014198
|
||
|
|
4 234.92741 0.015430
|
||
|
|
5 99.213753 0.005824
|
||
|
|
6 44.916140 0.046823
|
||
|
|
7 21.249717 0.048629
|
||
|
|
8 10.330458 0.166151
|
||
|
|
9 5.1049799 -0.044102
|
||
|
|
10 2.4406904 -0.196063
|
||
|
|
11 1.1512050 -1.018317
|
||
|
|
12 0.5295556 1.721356
|
||
|
|
13 0.2211900 -0.284124
|
||
|
|
14 0.088 -1.369249
|
||
|
|
15 0.035 1.300642
|
||
|
|
P 1
|
||
|
|
1 0.014 1.0
|
||
|
|
D 9
|
||
|
|
1 89.569201 0.001851
|
||
|
|
2 26.584356 0.013854
|
||
|
|
3 9.7710323 0.054772
|
||
|
|
4 3.9619329 0.148753
|
||
|
|
5 1.6892689 0.266078
|
||
|
|
6 0.7156706 0.326101
|
||
|
|
7 0.2938106 0.312702
|
||
|
|
8 0.1108305 0.223159
|
||
|
|
9 0.044 0.088219
|
||
|
|
D 9
|
||
|
|
1 89.569201 -0.001683
|
||
|
|
2 26.584356 -0.012689
|
||
|
|
3 9.7710323 -0.050375
|
||
|
|
4 3.9619329 -0.139029
|
||
|
|
5 1.6892689 -0.235533
|
||
|
|
6 0.7156706 -0.243687
|
||
|
|
7 0.2938106 0.029629
|
||
|
|
8 0.1108305 0.446759
|
||
|
|
9 0.044 0.433638
|
||
|
|
D 9
|
||
|
|
1 89.569201 0.002537
|
||
|
|
2 26.584356 0.018217
|
||
|
|
3 9.7710323 0.075384
|
||
|
|
4 3.9619329 0.207771
|
||
|
|
5 1.6892689 0.302164
|
||
|
|
6 0.7156706 0.090361
|
||
|
|
7 0.2938106 -0.595270
|
||
|
|
8 0.1108305 -0.362387
|
||
|
|
9 0.044 0.610297
|
||
|
|
D 1
|
||
|
|
1 0.018 1.0
|
||
|
|
F 6
|
||
|
|
1 5.435 0.022889
|
||
|
|
2 2.174 0.091344
|
||
|
|
3 0.870 0.272104
|
||
|
|
4 0.348 0.471564
|
||
|
|
5 0.139 0.369143
|
||
|
|
6 0.056 0.105819
|
||
|
|
F 6
|
||
|
|
1 5.435 -0.068354
|
||
|
|
2 2.174 -0.272516
|
||
|
|
3 0.870 -0.528880
|
||
|
|
4 0.348 -0.062389
|
||
|
|
5 0.139 0.541599
|
||
|
|
6 0.056 0.265375
|
||
|
|
|
||
|
|
IRON
|
||
|
|
S 19
|
||
|
|
1 4316265.30 0.000009
|
||
|
|
2 646342.420 0.000067
|
||
|
|
3 147089.730 0.000354
|
||
|
|
4 41661.5220 0.001494
|
||
|
|
5 13590.7650 0.005411
|
||
|
|
6 4905.75000 0.017353
|
||
|
|
7 1912.74580 0.049540
|
||
|
|
8 792.604340 0.123035
|
||
|
|
9 344.806480 0.249293
|
||
|
|
10 155.899890 0.358572
|
||
|
|
11 72.2309080 0.277479
|
||
|
|
12 32.7250650 0.067193
|
||
|
|
13 15.6676220 -0.001156
|
||
|
|
14 7.50348280 0.001932
|
||
|
|
15 3.31222330 -0.000892
|
||
|
|
16 1.55847120 0.000386
|
||
|
|
17 .683913700 -0.000151
|
||
|
|
18 .146756700 0.000056
|
||
|
|
19 .070583400 -0.000044
|
||
|
|
S 19
|
||
|
|
1 4316265.30 0.000003
|
||
|
|
2 646342.420 0.000020
|
||
|
|
3 147089.730 0.000108
|
||
|
|
4 41661.5220 0.000454
|
||
|
|
5 13590.7650 0.001650
|
||
|
|
6 4905.75000 0.005342
|
||
|
|
7 1912.74580 0.015619
|
||
|
|
8 792.604340 0.040889
|
||
|
|
9 344.806480 0.092911
|
||
|
|
10 155.899890 0.168946
|
||
|
|
11 72.2309080 0.191001
|
||
|
|
12 32.7250650 -0.044002
|
||
|
|
13 15.6676220 -0.515483
|
||
|
|
14 7.50348280 -0.505173
|
||
|
|
15 3.31222330 -0.092299
|
||
|
|
16 1.55847120 0.002409
|
||
|
|
17 .683913700 -0.002262
|
||
|
|
18 .146756700 0.000468
|
||
|
|
19 .070583400 -0.000418
|
||
|
|
S 19
|
||
|
|
1 4316265.30 0.000001
|
||
|
|
2 646342.420 0.000008
|
||
|
|
3 147089.730 0.000040
|
||
|
|
4 41661.5220 0.000167
|
||
|
|
5 13590.7650 0.000608
|
||
|
|
6 4905.75000 0.001974
|
||
|
|
7 1912.74580 0.005780
|
||
|
|
8 792.604340 0.015252
|
||
|
|
9 344.806480 0.035056
|
||
|
|
10 155.899890 0.065883
|
||
|
|
11 72.2309080 0.078156
|
||
|
|
12 32.7250650 -0.018912
|
||
|
|
13 15.6676220 -0.303216
|
||
|
|
14 7.50348280 -0.457642
|
||
|
|
15 3.31222330 0.128421
|
||
|
|
16 1.55847120 0.717393
|
||
|
|
17 .683913700 0.403553
|
||
|
|
18 .146756700 0.023145
|
||
|
|
19 .070583400 -0.005506
|
||
|
|
S 19
|
||
|
|
1 4316265.30 -0.000001
|
||
|
|
2 646342.420 -0.000006
|
||
|
|
3 147089.730 -0.000032
|
||
|
|
4 41661.5220 -0.000138
|
||
|
|
5 13590.7650 -0.000483
|
||
|
|
6 4905.75000 -0.001645
|
||
|
|
7 1912.74580 -0.004545
|
||
|
|
8 792.604340 -0.012905
|
||
|
|
9 344.806480 -0.027211
|
||
|
|
10 155.899890 -0.058435
|
||
|
|
11 72.2309080 -0.055987
|
||
|
|
12 32.7250650 -0.009793
|
||
|
|
13 15.6676220 0.352411
|
||
|
|
14 7.50348280 0.455088
|
||
|
|
15 3.31222330 -0.446218
|
||
|
|
16 1.55847120 -2.170656
|
||
|
|
17 .683913700 2.996031
|
||
|
|
18 .146756700 -1.569077
|
||
|
|
19 .070583400 -0.197813
|
||
|
|
S 18
|
||
|
|
1 646342.420 -0.000002
|
||
|
|
2 147089.730 -0.000009
|
||
|
|
3 41661.5220 -0.000039
|
||
|
|
4 13590.7650 -0.000142
|
||
|
|
5 4905.75000 -0.000460
|
||
|
|
6 1912.74580 -0.001346
|
||
|
|
7 792.604340 -0.003561
|
||
|
|
8 344.806480 -0.008179
|
||
|
|
9 155.899890 -0.015484
|
||
|
|
10 72.2309080 -0.018372
|
||
|
|
11 32.7250650 0.004264
|
||
|
|
12 15.6676220 0.075628
|
||
|
|
13 7.50348280 0.118873
|
||
|
|
14 3.31222330 -0.041986
|
||
|
|
15 1.55847120 -0.247512
|
||
|
|
16 .683913700 -0.249210
|
||
|
|
17 .146756700 0.340501
|
||
|
|
18 .070583400 0.564151
|
||
|
|
S 18
|
||
|
|
1 646342.420 -0.000004
|
||
|
|
2 147089.730 -0.000019
|
||
|
|
3 41661.5220 -0.000082
|
||
|
|
4 13590.7650 -0.000281
|
||
|
|
5 4905.75000 -0.000981
|
||
|
|
6 1912.74580 -0.002626
|
||
|
|
7 792.604340 -0.007743
|
||
|
|
8 344.806480 -0.015494
|
||
|
|
9 155.899890 -0.035419
|
||
|
|
10 72.2309080 -0.029221
|
||
|
|
11 32.7250650 -0.013399
|
||
|
|
12 15.6676220 0.211988
|
||
|
|
13 7.50348280 0.169143
|
||
|
|
14 3.31222330 0.074202
|
||
|
|
15 1.55847120 -1.177627
|
||
|
|
16 .683913700 0.472714
|
||
|
|
17 .146756700 1.996919
|
||
|
|
18 .070583400 -1.427930
|
||
|
|
S 1
|
||
|
|
1 .031448900 1.0
|
||
|
|
P 14
|
||
|
|
1 7721.48860 0.000177
|
||
|
|
2 1829.12580 0.001551
|
||
|
|
3 593.627950 0.008640
|
||
|
|
4 226.205360 0.035486
|
||
|
|
5 95.2614540 0.110819
|
||
|
|
6 42.8592030 0.251569
|
||
|
|
7 20.0497130 0.381678
|
||
|
|
8 9.62088520 0.309884
|
||
|
|
9 4.54137050 0.087806
|
||
|
|
10 2.11350010 0.003723
|
||
|
|
11 .947200800 0.001514
|
||
|
|
12 .391242800 -0.000285
|
||
|
|
13 .156480000 0.000212
|
||
|
|
14 .062592000 -0.000095
|
||
|
|
P 14
|
||
|
|
1 7721.48860 0.000064
|
||
|
|
2 1829.12580 0.000560
|
||
|
|
3 593.627950 0.003143
|
||
|
|
4 226.205360 0.013061
|
||
|
|
5 95.2614540 0.042113
|
||
|
|
6 42.8592030 0.099493
|
||
|
|
7 20.0497130 0.161326
|
||
|
|
8 9.62088520 0.114619
|
||
|
|
9 4.54137050 -0.181266
|
||
|
|
10 2.11350010 -0.475358
|
||
|
|
11 .947200800 -0.408146
|
||
|
|
12 .391242800 -0.104154
|
||
|
|
13 .156480000 0.001094
|
||
|
|
14 .062592000 -0.002733
|
||
|
|
P 14
|
||
|
|
1 7721.48860 0.000021
|
||
|
|
2 1829.12580 0.000185
|
||
|
|
3 593.627950 0.001030
|
||
|
|
4 226.205360 0.004316
|
||
|
|
5 95.2614540 0.013851
|
||
|
|
6 42.8592030 0.033173
|
||
|
|
7 20.0497130 0.053729
|
||
|
|
8 9.62088520 0.039398
|
||
|
|
9 4.54137050 -0.077469
|
||
|
|
10 2.11350010 -0.200369
|
||
|
|
11 .947200800 -0.191568
|
||
|
|
12 .391242800 0.207753
|
||
|
|
13 .156480000 0.686833
|
||
|
|
14 .062592000 0.258947
|
||
|
|
P 14
|
||
|
|
1 7721.48860 0.000044
|
||
|
|
2 1829.12580 0.000378
|
||
|
|
3 593.627950 0.002152
|
||
|
|
4 226.205360 0.008844
|
||
|
|
5 95.2614540 0.029019
|
||
|
|
6 42.8592030 0.067781
|
||
|
|
7 20.0497130 0.115762
|
||
|
|
8 9.62088520 0.088235
|
||
|
|
9 4.54137050 -0.194680
|
||
|
|
10 2.11350010 -0.647328
|
||
|
|
11 .947200800 0.144059
|
||
|
|
12 .391242800 1.222377
|
||
|
|
13 .156480000 -0.445491
|
||
|
|
14 .062592000 -0.557791
|
||
|
|
P 14
|
||
|
|
1 7721.48860 -0.000056
|
||
|
|
2 1829.12580 -0.000512
|
||
|
|
3 593.627950 -0.002783
|
||
|
|
4 226.205360 -0.012020
|
||
|
|
5 95.2614540 -0.037310
|
||
|
|
6 42.8592030 -0.093343
|
||
|
|
7 20.0497130 -0.146378
|
||
|
|
8 9.62088520 -0.202301
|
||
|
|
9 4.54137050 0.603378
|
||
|
|
10 2.11350010 0.927497
|
||
|
|
11 .947200800 -2.115277
|
||
|
|
12 .391242800 0.964122
|
||
|
|
13 .156480000 0.771691
|
||
|
|
14 .062592000 -1.040723
|
||
|
|
P 1
|
||
|
|
1 .025037000 1.0
|
||
|
|
D 10
|
||
|
|
1 217.368830 -0.000916
|
||
|
|
2 64.9997550 -0.007814
|
||
|
|
3 24.7731370 -0.035374
|
||
|
|
4 10.4361400 -0.107699
|
||
|
|
5 4.67965330 -0.225221
|
||
|
|
6 2.12562250 -0.316899
|
||
|
|
7 .945242100 -0.320364
|
||
|
|
8 .402685300 -0.246899
|
||
|
|
9 .156651000 -0.116074
|
||
|
|
10 .062660000 -0.014853
|
||
|
|
D 10
|
||
|
|
1 217.368830 -0.001001
|
||
|
|
2 64.9997550 -0.008546
|
||
|
|
3 24.7731370 -0.039091
|
||
|
|
4 10.4361400 -0.121626
|
||
|
|
5 4.67965330 -0.255675
|
||
|
|
6 2.12562250 -0.283714
|
||
|
|
7 .945242100 -0.022763
|
||
|
|
8 .402685300 0.418369
|
||
|
|
9 .156651000 0.472514
|
||
|
|
10 .062660000 0.113985
|
||
|
|
D 10
|
||
|
|
1 217.368830 -0.001484
|
||
|
|
2 64.9997550 -0.012905
|
||
|
|
3 24.7731370 -0.059271
|
||
|
|
4 10.4361400 -0.195608
|
||
|
|
5 4.67965330 -0.381061
|
||
|
|
6 2.12562250 -0.123783
|
||
|
|
7 .945242100 0.636899
|
||
|
|
8 .402685300 0.336801
|
||
|
|
9 .156651000 -0.600318
|
||
|
|
10 .062660000 -0.263852
|
||
|
|
D 10
|
||
|
|
1 217.368830 -0.001979
|
||
|
|
2 64.9997550 -0.017507
|
||
|
|
3 24.7731370 -0.080747
|
||
|
|
4 10.4361400 -0.293476
|
||
|
|
5 4.67965330 -0.501291
|
||
|
|
6 2.12562250 0.704008
|
||
|
|
7 .945242100 0.558908
|
||
|
|
8 .402685300 -1.145649
|
||
|
|
9 .156651000 0.309749
|
||
|
|
10 .062660000 0.461953
|
||
|
|
F 6
|
||
|
|
1 16.9972000 0.013273
|
||
|
|
2 6.79890000 0.079455
|
||
|
|
3 2.71960000 0.290603
|
||
|
|
4 1.08780000 0.466045
|
||
|
|
5 .435100000 0.355163
|
||
|
|
6 .174100000 0.125910
|
||
|
|
F 6
|
||
|
|
1 16.9972000 0.027682
|
||
|
|
2 6.79890000 0.189193
|
||
|
|
3 2.71960000 0.522497
|
||
|
|
4 1.08780000 0.150599
|
||
|
|
5 .435100000 -0.526954
|
||
|
|
6 .174100000 -0.373500
|
||
|
|
F 6
|
||
|
|
1 16.9972000 -0.043420
|
||
|
|
2 6.79890000 -0.408688
|
||
|
|
3 2.71960000 -0.455472
|
||
|
|
4 1.08780000 0.825299
|
||
|
|
5 .435100000 0.043968
|
||
|
|
6 .174100000 -0.684586
|
||
|
|
G 4
|
||
|
|
1 8.159 0.008366
|
||
|
|
2 3.263 0.058110
|
||
|
|
3 1.305 0.107720
|
||
|
|
4 0.522 0.083876
|
||
|
|
G 4
|
||
|
|
1 8.159 0.038731
|
||
|
|
2 3.263 0.127818
|
||
|
|
3 1.305 0.020599
|
||
|
|
4 0.522 -0.152931
|
||
|
|
|
||
|
|
NICKEL
|
||
|
|
S 19
|
||
|
|
1 5048010.4 0.000009
|
||
|
|
2 755918.10 0.000067
|
||
|
|
3 172026.25 0.000351
|
||
|
|
4 48724.572 0.001480
|
||
|
|
5 15894.892 0.005361
|
||
|
|
6 5737.4685 0.017199
|
||
|
|
7 2237.0513 0.049128
|
||
|
|
8 927.03020 0.122169
|
||
|
|
9 403.34615 0.248112
|
||
|
|
10 182.42816 0.358269
|
||
|
|
11 84.589171 0.279103
|
||
|
|
12 38.422931 0.068284
|
||
|
|
13 18.468791 -0.001183
|
||
|
|
14 8.8681903 0.001914
|
||
|
|
15 3.9188697 -0.000879
|
||
|
|
16 1.8398525 0.000377
|
||
|
|
17 .80466260 -0.000145
|
||
|
|
18 .16984630 0.000051
|
||
|
|
19 .07936990 -0.000040
|
||
|
|
S 19
|
||
|
|
1 5048010.4 -0.000003
|
||
|
|
2 755918.10 -0.000020
|
||
|
|
3 172026.25 -0.000108
|
||
|
|
4 48724.572 -0.000454
|
||
|
|
5 15894.892 -0.001651
|
||
|
|
6 5737.4685 -0.005346
|
||
|
|
7 2237.0513 -0.015642
|
||
|
|
8 927.03020 -0.041001
|
||
|
|
9 403.34615 -0.093397
|
||
|
|
10 182.42816 -0.170411
|
||
|
|
11 84.589171 -0.193753
|
||
|
|
12 38.422931 0.043614
|
||
|
|
13 18.468791 0.519492
|
||
|
|
14 8.8681903 0.503727
|
||
|
|
15 3.9188697 0.091295
|
||
|
|
16 1.8398525 -0.002225
|
||
|
|
17 .80466260 0.002226
|
||
|
|
18 .16984630 -0.000429
|
||
|
|
19 .07936990 0.000363
|
||
|
|
S 19
|
||
|
|
1 5048010.4 0.000001
|
||
|
|
2 755918.10 0.000007
|
||
|
|
3 172026.25 0.000038
|
||
|
|
4 48724.572 0.000161
|
||
|
|
5 15894.892 0.000587
|
||
|
|
6 5737.4685 0.001904
|
||
|
|
7 2237.0513 0.005580
|
||
|
|
8 927.03020 0.014753
|
||
|
|
9 403.34615 0.034036
|
||
|
|
10 182.42816 0.064347
|
||
|
|
11 84.589171 0.077112
|
||
|
|
12 38.422931 -0.018512
|
||
|
|
13 18.468791 -0.304420
|
||
|
|
14 8.8681903 -0.451256
|
||
|
|
15 3.9188697 0.148494
|
||
|
|
16 1.8398525 0.713386
|
||
|
|
17 .80466260 0.397936
|
||
|
|
18 .16984630 0.023123
|
||
|
|
19 .07936990 -0.009300
|
||
|
|
S 19
|
||
|
|
1 5048010.4 0.000024
|
||
|
|
2 755918.10 -0.000013
|
||
|
|
3 172026.25 -0.000012
|
||
|
|
4 48724.572 -0.000074
|
||
|
|
5 15894.892 -0.000237
|
||
|
|
6 5737.4685 -0.000853
|
||
|
|
7 2237.0513 -0.002255
|
||
|
|
8 927.03020 -0.006646
|
||
|
|
9 403.34615 -0.013576
|
||
|
|
10 182.42816 -0.030098
|
||
|
|
11 84.589171 -0.026883
|
||
|
|
12 38.422931 -0.008589
|
||
|
|
13 18.468791 0.175891
|
||
|
|
14 8.8681903 0.159678
|
||
|
|
15 3.9188697 0.025037
|
||
|
|
16 1.8398525 -0.907860
|
||
|
|
17 .80466260 0.265587
|
||
|
|
18 .16984630 1.612249
|
||
|
|
19 .07936990 -0.611243
|
||
|
|
S 19
|
||
|
|
1 5048010.4 -0.000033
|
||
|
|
2 755918.10 0.000257
|
||
|
|
3 172026.25 -0.000174
|
||
|
|
4 48724.572 -0.000054
|
||
|
|
5 15894.892 -0.000511
|
||
|
|
6 5737.4685 -0.001403
|
||
|
|
7 2237.0513 -0.004365
|
||
|
|
8 927.03020 -0.011487
|
||
|
|
9 403.34615 -0.025446
|
||
|
|
10 182.42816 -0.053304
|
||
|
|
11 84.589171 -0.051732
|
||
|
|
12 38.422931 -0.011273
|
||
|
|
13 18.468791 0.319838
|
||
|
|
14 8.8681903 0.395085
|
||
|
|
15 3.9188697 -0.254727
|
||
|
|
16 1.8398525 -2.126565
|
||
|
|
17 .80466260 2.515758
|
||
|
|
18 .16984630 -0.212599
|
||
|
|
19 .07936990 -1.729154
|
||
|
|
S 18
|
||
|
|
1 755918.10 -0.000002
|
||
|
|
2 172026.25 -0.000009
|
||
|
|
3 48724.572 -0.000037
|
||
|
|
4 15894.892 -0.000134
|
||
|
|
5 5737.4685 -0.000434
|
||
|
|
6 2237.0513 -0.001271
|
||
|
|
7 927.03020 -0.003368
|
||
|
|
8 403.34615 -0.007754
|
||
|
|
9 182.42816 -0.014750
|
||
|
|
10 84.589171 -0.017611
|
||
|
|
11 38.422931 0.003992
|
||
|
|
12 18.468791 0.073074
|
||
|
|
13 8.8681903 0.111167
|
||
|
|
14 3.9188697 -0.044051
|
||
|
|
15 1.8398525 -0.232421
|
||
|
|
16 .80466260 -0.227638
|
||
|
|
17 .16984630 0.311421
|
||
|
|
18 .07936990 0.546897
|
||
|
|
S 1
|
||
|
|
1 .03470020 1.0
|
||
|
|
P 14
|
||
|
|
1 9148.7958 0.000174
|
||
|
|
2 2167.1706 0.001527
|
||
|
|
3 703.38566 0.008522
|
||
|
|
4 268.13423 0.035142
|
||
|
|
5 113.00781 0.110271
|
||
|
|
6 50.913395 0.251737
|
||
|
|
7 23.877402 0.382502
|
||
|
|
8 11.489237 0.308882
|
||
|
|
9 5.4368839 0.087167
|
||
|
|
10 2.5338366 0.003948
|
||
|
|
11 1.1353088 0.001598
|
||
|
|
12 .46789110 -0.000226
|
||
|
|
13 .18720000 0.000217
|
||
|
|
14 .07490000 -0.000090
|
||
|
|
P 14
|
||
|
|
1 9148.7958 -0.000062
|
||
|
|
2 2167.1706 -0.000546
|
||
|
|
3 703.38566 -0.003073
|
||
|
|
4 268.13423 -0.012827
|
||
|
|
5 113.00781 -0.041614
|
||
|
|
6 50.913395 -0.099134
|
||
|
|
7 23.877402 -0.161340
|
||
|
|
8 11.489237 -0.110793
|
||
|
|
9 5.4368839 0.189465
|
||
|
|
10 2.5338366 0.475350
|
||
|
|
11 1.1353088 0.401497
|
||
|
|
12 .46789110 0.105572
|
||
|
|
13 .18720000 -0.000378
|
||
|
|
14 .07490000 0.002796
|
||
|
|
P 14
|
||
|
|
1 9148.7958 0.000030
|
||
|
|
2 2167.1706 0.000203
|
||
|
|
3 703.38566 0.001338
|
||
|
|
4 268.13423 0.005127
|
||
|
|
5 113.00781 0.017388
|
||
|
|
6 50.913395 0.040915
|
||
|
|
7 23.877402 0.068018
|
||
|
|
8 11.489237 0.047733
|
||
|
|
9 5.4368839 -0.103846
|
||
|
|
10 2.5338366 -0.271626
|
||
|
|
11 1.1353088 -0.149754
|
||
|
|
12 .46789110 0.317906
|
||
|
|
13 .18720000 0.616339
|
||
|
|
14 .07490000 0.227648
|
||
|
|
P 14
|
||
|
|
1 9148.7958 -0.000663
|
||
|
|
2 2167.1706 0.000796
|
||
|
|
3 703.38566 0.001776
|
||
|
|
4 268.13423 0.010821
|
||
|
|
5 113.00781 0.029062
|
||
|
|
6 50.913395 0.076994
|
||
|
|
7 23.877402 0.122731
|
||
|
|
8 11.489237 0.104810
|
||
|
|
9 5.4368839 -0.259759
|
||
|
|
10 2.5338366 -0.689698
|
||
|
|
11 1.1353088 0.368842
|
||
|
|
12 .46789110 1.065488
|
||
|
|
13 .18720000 -0.534481
|
||
|
|
14 .07490000 -0.501120
|
||
|
|
P 14
|
||
|
|
1 9148.7958 0.001277
|
||
|
|
2 2167.1706 -0.006550
|
||
|
|
3 703.38566 0.006386
|
||
|
|
4 268.13423 0.012148
|
||
|
|
5 113.00781 0.039683
|
||
|
|
6 50.913395 0.107185
|
||
|
|
7 23.877402 0.144230
|
||
|
|
8 11.489237 0.259002
|
||
|
|
9 5.4368839 -0.872390
|
||
|
|
10 2.5338366 -0.557811
|
||
|
|
11 1.1353088 2.028320
|
||
|
|
12 .46789110 -1.235798
|
||
|
|
13 .18720000 -0.476567
|
||
|
|
14 .07490000 0.896794
|
||
|
|
P 1
|
||
|
|
1 .02990000 1.0
|
||
|
|
D 10
|
||
|
|
1 258.866660 0.000946
|
||
|
|
2 77.4960410 0.008119
|
||
|
|
3 29.5897180 0.037044
|
||
|
|
4 12.5152750 0.112436
|
||
|
|
5 5.62446750 0.229636
|
||
|
|
6 2.55130290 0.313490
|
||
|
|
7 1.12805970 0.309281
|
||
|
|
8 .475373000 0.244529
|
||
|
|
9 .182127800 0.132149
|
||
|
|
10 .072900000 0.033888
|
||
|
|
D 10
|
||
|
|
1 258.866660 -0.000960
|
||
|
|
2 77.4960410 -0.008276
|
||
|
|
3 29.5897180 -0.038053
|
||
|
|
4 12.5152750 -0.118044
|
||
|
|
5 5.62446750 -0.241878
|
||
|
|
6 2.55130290 -0.257468
|
||
|
|
7 1.12805970 -0.035377
|
||
|
|
8 .475373000 0.330634
|
||
|
|
9 .182127800 0.464445
|
||
|
|
10 .072900000 0.244912
|
||
|
|
D 10
|
||
|
|
1 258.866660 -0.001347
|
||
|
|
2 77.4960410 -0.011970
|
||
|
|
3 29.5897180 -0.055013
|
||
|
|
4 12.5152750 -0.178089
|
||
|
|
5 5.62446750 -0.353782
|
||
|
|
6 2.55130290 -0.154695
|
||
|
|
7 1.12805970 0.506435
|
||
|
|
8 .475373000 0.448044
|
||
|
|
9 .182127800 -0.362943
|
||
|
|
10 .072900000 -0.475177
|
||
|
|
D 10
|
||
|
|
1 258.866660 0.002000
|
||
|
|
2 77.4960410 0.016789
|
||
|
|
3 29.5897180 0.077436
|
||
|
|
4 12.5152750 0.282531
|
||
|
|
5 5.62446750 0.479875
|
||
|
|
6 2.55130290 -0.552208
|
||
|
|
7 1.12805970 -0.644128
|
||
|
|
8 .475373000 0.832028
|
||
|
|
9 .182127800 0.224739
|
||
|
|
10 .072900000 -0.681850
|
||
|
|
F 6
|
||
|
|
1 19.7642000 0.017112
|
||
|
|
2 7.90570000 0.098203
|
||
|
|
3 3.16220000 0.337379
|
||
|
|
4 1.26490000 0.475797
|
||
|
|
5 .506000000 0.304324
|
||
|
|
6 .202400000 0.095371
|
||
|
|
F 6
|
||
|
|
1 19.7642000 0.034643
|
||
|
|
2 7.90570000 0.251500
|
||
|
|
3 3.16220000 0.556641
|
||
|
|
4 1.26490000 -0.032855
|
||
|
|
5 .506000000 -0.545210
|
||
|
|
6 .202400000 -0.276561
|
||
|
|
$END
|