mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-16 19:13:50 +01:00
2911 lines
77 KiB
Plaintext
2911 lines
77 KiB
Plaintext
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HYDROGEN
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S 8
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1 23.843185 0.00411490
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2 10.212443 0.01046440
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3 4.374164 0.02801110
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4 1.873529 0.07588620
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5 0.802465 0.18210620
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6 0.343709 0.34852140
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7 0.147217 0.37823130
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8 0.063055 0.11642410
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S 1
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1 0.028726 1.00000000
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S 1
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1 0.081856 1.00000000
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S 1
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1 0.233254 1.00000000
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S 1
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1 0.664673 1.00000000
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P 1
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1 0.095522 1.00000000
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P 1
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1 0.284469 1.00000000
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P 1
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1 0.847159 1.00000000
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P 1
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1 2.522868 1.00000000
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D 1
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1 0.216033 1.00000000
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D 1
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1 0.665279 1.00000000
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D 1
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1 2.048739 1.00000000
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F 1
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1 0.444647 1.00000000
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F 1
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1 1.421460 1.00000000
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SODIUM
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S 12
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1 50.364926 -0.00144900
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2 24.480199 -0.00059000
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3 11.898760 -0.11881800
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4 5.783470 -0.01085600
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5 2.811093 0.25078300
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6 1.366350 0.44727600
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7 0.664123 0.34725400
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8 0.322801 0.08065200
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9 0.156900 0.00120800
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10 0.076262 0.00040900
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11 0.037068 0.00011200
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12 0.018017 0.00007200
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S 12
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1 50.364926 0.00021200
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2 24.480199 0.00037900
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3 11.898760 0.01958200
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4 5.783470 0.00062300
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5 2.811093 -0.04578100
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6 1.366350 -0.08872800
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7 0.664123 -0.11295200
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8 0.322801 -0.10839600
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9 0.156900 0.00990100
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10 0.076262 0.35541800
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11 0.037068 0.56145100
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12 0.018017 0.19899800
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S 1
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1 1.171050 1.00000000
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S 1
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1 0.304809 1.00000000
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S 1
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1 0.079338 1.00000000
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S 1
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1 0.039669 1.00000000
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P 12
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1 77.769943 0.00005400
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2 42.060816 -0.00001600
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3 22.748020 0.01257100
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4 12.302957 0.07960100
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5 6.653887 0.14044200
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6 3.598664 0.21214100
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7 1.946289 0.26179900
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8 1.052624 0.25582000
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9 0.569297 0.18035900
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10 0.307897 0.07216500
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11 0.166522 0.01066300
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12 0.090061 0.00153800
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P 12
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1 77.769943 -0.00065600
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2 42.060816 0.00313700
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3 22.748020 -0.01100400
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4 12.302957 0.00937600
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5 6.653887 -0.06647900
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6 3.598664 0.05895900
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7 1.946289 -0.22105000
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8 1.052624 0.30349100
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9 0.569297 -0.67170500
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10 0.307897 1.06436000
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11 0.166522 -1.53048900
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12 0.090061 1.84316700
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P 1
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1 0.375990 1.00000000
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P 1
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1 0.119184 1.00000000
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P 1
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1 0.037780 1.00000000
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P 1
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1 0.018890 1.00000000
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D 1
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1 0.671851 1.00000000
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D 1
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1 0.217686 1.00000000
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D 1
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1 0.070532 1.00000000
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D 1
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1 0.035266 1.00000000
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F 1
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1 0.210906 1.00000000
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F 1
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1 0.102314 1.00000000
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F 1
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1 0.051157 1.00000000
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G 1
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1 0.169674 1.00000000
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G 1
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1 0.084837 1.00000000
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MAGNESIUM
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S 12
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1 63.931893 -0.00079400
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2 31.602596 0.00747900
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3 15.621687 -0.13624600
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4 7.722059 -0.03203300
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5 3.817142 0.21682300
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6 1.886877 0.45136400
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7 0.932714 0.37759900
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8 0.461056 0.09431900
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9 0.227908 0.00170300
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10 0.112659 0.00048500
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11 0.055689 -0.00015100
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12 0.027528 0.00003100
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S 12
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1 63.931893 0.00010600
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2 31.602596 -0.00108600
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3 15.621687 0.02867600
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4 7.722059 0.00578100
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5 3.817142 -0.05065300
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6 1.886877 -0.11687700
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7 0.932714 -0.16512100
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8 0.461056 -0.11801600
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9 0.227908 0.10836500
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|
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10 0.112659 0.41475500
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|
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11 0.055689 0.47763300
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|
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12 0.027528 0.17347600
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S 1
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|
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1 0.215508 1.00000000
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|
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S 1
|
||
|
|
1 0.088055 1.00000000
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|
|
S 1
|
||
|
|
1 0.035979 1.00000000
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|
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S 1
|
||
|
|
1 0.017989 1.00000000
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P 12
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1 28.231094 0.01131700
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2 14.891993 0.08703900
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3 7.855575 0.16268300
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4 4.143841 0.24138600
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5 2.185889 0.29006400
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6 1.153064 0.25299100
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7 0.608245 0.13309700
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8 0.320851 0.02894100
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9 0.169250 0.00320900
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|
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10 0.089280 0.00026800
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11 0.047095 0.00025700
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12 0.024843 -0.00003700
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P 12
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1 28.231094 -0.00182200
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2 14.891993 -0.01360300
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3 7.855575 -0.02570000
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4 4.143841 -0.03907600
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5 2.185889 -0.04877900
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|
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6 1.153064 -0.04599000
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7 0.608245 -0.03165800
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8 0.320851 0.04917800
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9 0.169250 0.18690900
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10 0.089280 0.37939600
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11 0.047095 0.33543100
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12 0.024843 0.18405800
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P 1
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|
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1 0.610333 1.00000000
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|
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P 1
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|
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1 0.243027 1.00000000
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|
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P 1
|
||
|
|
1 0.096770 1.00000000
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|
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P 1
|
||
|
|
1 0.048385 1.00000000
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|
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D 1
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||
|
|
1 0.373257 1.00000000
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|
|
D 1
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||
|
|
1 0.193055 1.00000000
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||
|
|
D 1
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||
|
|
1 0.099851 1.00000000
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||
|
|
D 1
|
||
|
|
1 0.049925 1.00000000
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||
|
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F 1
|
||
|
|
1 0.365954 1.00000000
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||
|
|
F 1
|
||
|
|
1 0.178764 1.00000000
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||
|
|
F 1
|
||
|
|
1 0.089382 1.00000000
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|
|
G 1
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||
|
|
1 0.303088 1.00000000
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G 1
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|
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1 0.151544 1.00000000
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ALUMINUM
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S 12
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1 78.990577 -0.00048100
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2 39.484884 0.01309500
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||
|
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3 19.737241 -0.14615300
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||
|
|
4 9.866021 -0.04520600
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||
|
|
5 4.931711 0.19070800
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||
|
|
6 2.465206 0.45320700
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||
|
|
7 1.232278 0.39882400
|
||
|
|
8 0.615977 0.10364800
|
||
|
|
9 0.307907 0.00224700
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||
|
|
10 0.153913 0.00079000
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||
|
|
11 0.076936 -0.00014000
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|
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12 0.038458 0.00006400
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S 12
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|
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1 78.990577 0.00002400
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||
|
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2 39.484884 -0.00262700
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||
|
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3 19.737241 0.03694800
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||
|
|
4 9.866021 0.01070500
|
||
|
|
5 4.931711 -0.05334200
|
||
|
|
6 2.465206 -0.14418800
|
||
|
|
7 1.232278 -0.21396900
|
||
|
|
8 0.615977 -0.12558500
|
||
|
|
9 0.307907 0.19397000
|
||
|
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10 0.153913 0.48467400
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||
|
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11 0.076936 0.41941400
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||
|
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12 0.038458 0.11043000
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|
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S 1
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|
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1 0.355123 1.00000000
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|
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S 1
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|
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1 0.145459 1.00000000
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|
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S 1
|
||
|
|
1 0.059580 1.00000000
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|
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S 1
|
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|
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1 0.023248 1.00000000
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P 12
|
||
|
|
1 33.993368 0.01190800
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|
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2 17.617051 0.09748500
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||
|
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3 9.130030 0.18047400
|
||
|
|
4 4.731635 0.26552200
|
||
|
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5 2.452168 0.30797700
|
||
|
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6 1.270835 0.23506100
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||
|
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7 0.658610 0.08963100
|
||
|
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8 0.341324 0.01108300
|
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|
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9 0.176891 0.00157700
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|
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10 0.091674 0.00000700
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|
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11 0.047510 0.00021500
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|
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12 0.024622 -0.00002200
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P 12
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|
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1 33.993368 -0.00218300
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|
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2 17.617051 -0.01736200
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|
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3 9.130030 -0.03229200
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||
|
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4 4.731635 -0.04981000
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||
|
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5 2.452168 -0.05992600
|
||
|
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6 1.270835 -0.05255300
|
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|
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7 0.658610 0.00198900
|
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|
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8 0.341324 0.13005200
|
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|
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9 0.176891 0.28008900
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||
|
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10 0.091674 0.37433900
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|
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11 0.047510 0.27285700
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|
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12 0.024622 0.08514500
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P 1
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||
|
|
1 0.308018 1.00000000
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|
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P 1
|
||
|
|
1 0.189753 1.00000000
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||
|
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P 1
|
||
|
|
1 0.116896 1.00000000
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||
|
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P 1
|
||
|
|
1 0.012953 1.00000000
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||
|
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D 1
|
||
|
|
1 0.474317 1.00000000
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||
|
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D 1
|
||
|
|
1 0.194600 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.079839 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.027624 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.399394 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.157978 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.059610 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.352315 1.00000000
|
||
|
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G 1
|
||
|
|
1 0.146861 1.00000000
|
||
|
|
|
||
|
|
SILICON
|
||
|
|
S 12
|
||
|
|
1 96.651837 -0.00044000
|
||
|
|
2 48.652547 0.01867100
|
||
|
|
3 24.490692 -0.15435300
|
||
|
|
4 12.328111 -0.05773800
|
||
|
|
5 6.205717 0.16808700
|
||
|
|
6 3.123831 0.45342800
|
||
|
|
7 1.572472 0.41767500
|
||
|
|
8 0.791550 0.11190100
|
||
|
|
9 0.398450 0.00333700
|
||
|
|
10 0.200572 0.00099500
|
||
|
|
11 0.100964 -0.00003800
|
||
|
|
12 0.050823 0.00006900
|
||
|
|
S 12
|
||
|
|
1 96.651837 -0.00000400
|
||
|
|
2 48.652547 -0.00442100
|
||
|
|
3 24.490692 0.04336200
|
||
|
|
4 12.328111 0.01585300
|
||
|
|
5 6.205717 -0.05170600
|
||
|
|
6 3.123831 -0.16289500
|
||
|
|
7 1.572472 -0.25021800
|
||
|
|
8 0.791550 -0.12421600
|
||
|
|
9 0.398450 0.24632500
|
||
|
|
10 0.200572 0.50589900
|
||
|
|
11 0.100964 0.38631400
|
||
|
|
12 0.050823 0.08770100
|
||
|
|
S 1
|
||
|
|
1 0.521945 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.210852 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.085179 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.038162 1.00000000
|
||
|
|
P 12
|
||
|
|
1 40.315996 0.01293800
|
||
|
|
2 21.171265 0.09812900
|
||
|
|
3 11.117733 0.17932400
|
||
|
|
4 5.838290 0.26388600
|
||
|
|
5 3.065879 0.30927200
|
||
|
|
6 1.609995 0.23274800
|
||
|
|
7 0.845462 0.08590000
|
||
|
|
8 0.443980 0.01026000
|
||
|
|
9 0.233149 0.00156000
|
||
|
|
10 0.122434 -0.00000300
|
||
|
|
11 0.064294 0.00023200
|
||
|
|
12 0.033763 -0.00002300
|
||
|
|
P 12
|
||
|
|
1 40.315996 0.00283300
|
||
|
|
2 21.171265 0.02086900
|
||
|
|
3 11.117733 0.03823600
|
||
|
|
4 5.838290 0.05967900
|
||
|
|
5 3.065879 0.07277600
|
||
|
|
6 1.609995 0.06112900
|
||
|
|
7 0.845462 -0.01677600
|
||
|
|
8 0.443980 -0.17225900
|
||
|
|
9 0.233149 -0.32119600
|
||
|
|
10 0.122434 -0.36282800
|
||
|
|
11 0.064294 -0.22078900
|
||
|
|
12 0.033763 -0.05515200
|
||
|
|
P 1
|
||
|
|
1 1.198128 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.493328 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.203127 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.096781 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.700012 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.285783 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.116672 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.048042 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.532333 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.212995 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.089837 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.457311 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.206420 1.00000000
|
||
|
|
|
||
|
|
PHOSPHORUS
|
||
|
|
S 12
|
||
|
|
1 269.443884 0.00005500
|
||
|
|
2 127.601401 -0.00062400
|
||
|
|
3 60.428603 0.01940000
|
||
|
|
4 28.617367 -0.16550900
|
||
|
|
5 13.552418 -0.05426500
|
||
|
|
6 6.418062 0.25444000
|
||
|
|
7 3.039422 0.54966100
|
||
|
|
8 1.439389 0.32228500
|
||
|
|
9 0.681656 0.02663200
|
||
|
|
10 0.322814 0.00420300
|
||
|
|
11 0.152876 -0.00123300
|
||
|
|
12 0.072398 0.00049700
|
||
|
|
S 12
|
||
|
|
1 269.443884 0.00001800
|
||
|
|
2 127.601401 -0.00002600
|
||
|
|
3 60.428603 -0.00493300
|
||
|
|
4 28.617367 0.05012000
|
||
|
|
5 13.552418 0.01580100
|
||
|
|
6 6.418062 -0.08446300
|
||
|
|
7 3.039422 -0.24674200
|
||
|
|
8 1.439389 -0.27632600
|
||
|
|
9 0.681656 0.10027400
|
||
|
|
10 0.322814 0.51720100
|
||
|
|
11 0.152876 0.47975800
|
||
|
|
12 0.072398 0.12409900
|
||
|
|
S 1
|
||
|
|
1 0.686898 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.276109 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.110986 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.052455 1.00000000
|
||
|
|
P 12
|
||
|
|
1 48.154282 0.01288400
|
||
|
|
2 25.406431 0.09709500
|
||
|
|
3 13.404555 0.17821500
|
||
|
|
4 7.072308 0.26596400
|
||
|
|
5 3.731384 0.31293300
|
||
|
|
6 1.968696 0.23068600
|
||
|
|
7 1.038693 0.08048900
|
||
|
|
8 0.548020 0.00908500
|
||
|
|
9 0.289138 0.00124800
|
||
|
|
10 0.152550 -0.00006600
|
||
|
|
11 0.080486 0.00012900
|
||
|
|
12 0.042465 -0.00002900
|
||
|
|
P 12
|
||
|
|
1 48.154282 -0.00315200
|
||
|
|
2 25.406431 -0.02300600
|
||
|
|
3 13.404555 -0.04239800
|
||
|
|
4 7.072308 -0.06747700
|
||
|
|
5 3.731384 -0.08295200
|
||
|
|
6 1.968696 -0.06602600
|
||
|
|
7 1.038693 0.03446800
|
||
|
|
8 0.548020 0.20901800
|
||
|
|
9 0.289138 0.34717900
|
||
|
|
10 0.152550 0.34480600
|
||
|
|
11 0.080486 0.18173100
|
||
|
|
12 0.042465 0.03664900
|
||
|
|
P 1
|
||
|
|
1 1.581855 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.658132 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.273816 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.134437 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.984476 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.399580 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.162182 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.067272 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.694441 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.279257 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.113734 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.589583 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.245362 1.00000000
|
||
|
|
|
||
|
|
SULFUR
|
||
|
|
S 12
|
||
|
|
1 306.317903 0.00006400
|
||
|
|
2 146.602801 -0.00078500
|
||
|
|
3 70.163647 0.02247100
|
||
|
|
4 33.580104 -0.16987100
|
||
|
|
5 16.071334 -0.06189700
|
||
|
|
6 7.691691 0.24003900
|
||
|
|
7 3.681219 0.55164900
|
||
|
|
8 1.761820 0.33438600
|
||
|
|
9 0.843202 0.03132300
|
||
|
|
10 0.403554 0.00443600
|
||
|
|
11 0.193140 -0.00101500
|
||
|
|
12 0.092436 0.00050700
|
||
|
|
S 12
|
||
|
|
1 306.317903 0.00002100
|
||
|
|
2 146.602801 -0.00000400
|
||
|
|
3 70.163647 -0.00611900
|
||
|
|
4 33.580104 0.05447100
|
||
|
|
5 16.071334 0.01934400
|
||
|
|
6 7.691691 -0.08383900
|
||
|
|
7 3.681219 -0.26532200
|
||
|
|
8 1.761820 -0.29306500
|
||
|
|
9 0.843202 0.11373000
|
||
|
|
10 0.403554 0.52928200
|
||
|
|
11 0.193140 0.46625400
|
||
|
|
12 0.092436 0.12580000
|
||
|
|
S 1
|
||
|
|
1 0.893039 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.358094 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.143590 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.067207 1.00000000
|
||
|
|
P 12
|
||
|
|
1 55.148271 0.01344700
|
||
|
|
2 29.056588 0.10167000
|
||
|
|
3 15.309371 0.18519200
|
||
|
|
4 8.066220 0.27583600
|
||
|
|
5 4.249940 0.31707300
|
||
|
|
6 2.239213 0.21706600
|
||
|
|
7 1.179799 0.06576500
|
||
|
|
8 0.621614 0.00651700
|
||
|
|
9 0.327517 0.00111100
|
||
|
|
10 0.172562 0.00022200
|
||
|
|
11 0.090920 0.00018100
|
||
|
|
12 0.047904 0.00000800
|
||
|
|
P 12
|
||
|
|
1 55.148271 0.00354200
|
||
|
|
2 29.056588 0.02579700
|
||
|
|
3 15.309371 0.04726000
|
||
|
|
4 8.066220 0.07559400
|
||
|
|
5 4.249940 0.09198000
|
||
|
|
6 2.239213 0.06206700
|
||
|
|
7 1.179799 -0.07125300
|
||
|
|
8 0.621614 -0.25020600
|
||
|
|
9 0.327517 -0.34929500
|
||
|
|
10 0.172562 -0.31270000
|
||
|
|
11 0.090920 -0.15589800
|
||
|
|
12 0.047904 -0.03041800
|
||
|
|
P 1
|
||
|
|
1 1.862831 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.770080 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.318345 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.173720 1.00000000
|
||
|
|
D 1
|
||
|
|
1 1.259166 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.507276 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.204365 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.081923 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.849923 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.329207 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.140094 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.683967 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.281002 1.00000000
|
||
|
|
|
||
|
|
CHLORINE
|
||
|
|
S 10
|
||
|
|
1 15.583847 0.002501
|
||
|
|
2 8.858485 -0.010046
|
||
|
|
3 5.035519 0.085810
|
||
|
|
4 2.862391 -0.290136
|
||
|
|
5 1.627098 -0.140314
|
||
|
|
6 0.924908 0.146839
|
||
|
|
7 0.525755 0.392484
|
||
|
|
8 0.298860 0.425061
|
||
|
|
9 0.169884 0.227195
|
||
|
|
10 0.096569 0.059828
|
||
|
|
S 1
|
||
|
|
1 1.038268 1.000000
|
||
|
|
S 1
|
||
|
|
1 0.418863 1.000000
|
||
|
|
S 1
|
||
|
|
1 0.168980 1.000000
|
||
|
|
S 1
|
||
|
|
1 0.080650 1.000000
|
||
|
|
P 10
|
||
|
|
1 7.682894 -0.004609
|
||
|
|
2 4.507558 -0.001798
|
||
|
|
3 2.644587 -0.068614
|
||
|
|
4 1.551581 0.062352
|
||
|
|
5 0.910313 0.166337
|
||
|
|
6 0.534081 0.282292
|
||
|
|
7 0.313346 0.275967
|
||
|
|
8 0.183840 0.241328
|
||
|
|
9 0.107859 0.110223
|
||
|
|
10 0.063281 0.040289
|
||
|
|
P 1
|
||
|
|
1 2.626653 1.000000
|
||
|
|
P 1
|
||
|
|
1 1.069041 1.000000
|
||
|
|
P 1
|
||
|
|
1 0.435097 1.000000
|
||
|
|
P 1
|
||
|
|
1 0.204536 1.000000
|
||
|
|
D 1
|
||
|
|
1 2.102692 1.000000
|
||
|
|
D 1
|
||
|
|
1 0.763188 1.000000
|
||
|
|
D 1
|
||
|
|
1 0.277005 1.000000
|
||
|
|
D 1
|
||
|
|
1 0.110075 1.000000
|
||
|
|
F 1
|
||
|
|
1 1.139446 1.000000
|
||
|
|
F 1
|
||
|
|
1 0.434852 1.000000
|
||
|
|
F 1
|
||
|
|
1 0.209794 1.000000
|
||
|
|
G 1
|
||
|
|
1 0.844301 1.000000
|
||
|
|
G 1
|
||
|
|
1 0.374704 1.000000
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 12
|
||
|
|
1 400.805381 0.00009200
|
||
|
|
2 194.251428 -0.00125400
|
||
|
|
3 94.144487 0.02887900
|
||
|
|
4 45.627384 -0.17710600
|
||
|
|
5 22.113437 -0.07716500
|
||
|
|
6 10.717338 0.21018700
|
||
|
|
7 5.194187 0.55436900
|
||
|
|
8 2.517377 0.35907000
|
||
|
|
9 1.220054 0.04076900
|
||
|
|
10 0.591302 0.00508700
|
||
|
|
11 0.286576 -0.00064400
|
||
|
|
12 0.138890 0.00053300
|
||
|
|
S 12
|
||
|
|
1 400.805381 0.00001900
|
||
|
|
2 194.251428 0.00011400
|
||
|
|
3 94.144487 -0.00869300
|
||
|
|
4 45.627384 0.06117500
|
||
|
|
5 22.113437 0.02679200
|
||
|
|
6 10.717338 -0.07778000
|
||
|
|
7 5.194187 -0.29074700
|
||
|
|
8 2.517377 -0.32003600
|
||
|
|
9 1.220054 0.12393300
|
||
|
|
10 0.591302 0.53916300
|
||
|
|
11 0.286576 0.45626000
|
||
|
|
12 0.138890 0.13189200
|
||
|
|
S 1
|
||
|
|
1 1.352818 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.542896 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.217868 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.108934 1.00000000
|
||
|
|
P 12
|
||
|
|
1 71.845693 0.01423900
|
||
|
|
2 38.318786 0.10317800
|
||
|
|
3 20.437263 0.18518400
|
||
|
|
4 10.900182 0.27635700
|
||
|
|
5 5.813595 0.31813000
|
||
|
|
6 3.100671 0.21149400
|
||
|
|
7 1.653738 0.06192600
|
||
|
|
8 0.882019 0.00582100
|
||
|
|
9 0.470423 0.00083800
|
||
|
|
10 0.250899 -0.00004700
|
||
|
|
11 0.133817 0.00007700
|
||
|
|
12 0.071371 -0.00001800
|
||
|
|
P 12
|
||
|
|
1 71.845693 0.00414500
|
||
|
|
2 38.318786 0.02880000
|
||
|
|
3 20.437263 0.05191600
|
||
|
|
4 10.900182 0.08435600
|
||
|
|
5 5.813595 0.10330300
|
||
|
|
6 3.100671 0.05976300
|
||
|
|
7 1.653738 -0.09852400
|
||
|
|
8 0.882019 -0.27287100
|
||
|
|
9 0.470423 -0.34211200
|
||
|
|
10 0.250899 -0.28931700
|
||
|
|
11 0.133817 -0.14332900
|
||
|
|
12 0.071371 -0.03249500
|
||
|
|
P 1
|
||
|
|
1 2.812209 1.00000000
|
||
|
|
P 1
|
||
|
|
1 1.197871 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.510238 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.255119 1.00000000
|
||
|
|
D 1
|
||
|
|
1 1.938501 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.776699 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.311200 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.155600 1.00000000
|
||
|
|
F 1
|
||
|
|
1 1.311840 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.535630 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.267815 1.00000000
|
||
|
|
G 1
|
||
|
|
1 1.003431 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.501715 1.00000000
|
||
|
|
|
||
|
|
SCANDIUM
|
||
|
|
S 13
|
||
|
|
1 66.882574 0.00055300
|
||
|
|
2 33.776681 -0.00511500
|
||
|
|
3 18.185884 0.00416100
|
||
|
|
4 11.748619 0.12160300
|
||
|
|
5 6.895190 -0.27013700
|
||
|
|
6 3.222124 -0.32441000
|
||
|
|
7 1.772120 0.29116200
|
||
|
|
8 0.841163 0.62893100
|
||
|
|
9 0.471976 0.27340600
|
||
|
|
10 0.313224 0.13535200
|
||
|
|
11 0.101013 0.00804100
|
||
|
|
12 0.049071 -0.00261000
|
||
|
|
13 0.022782 0.00059700
|
||
|
|
S 13
|
||
|
|
1 66.882574 -0.00013900
|
||
|
|
2 33.776681 0.00134500
|
||
|
|
3 18.185884 -0.00144500
|
||
|
|
4 11.748619 -0.03208200
|
||
|
|
5 6.895190 0.07550600
|
||
|
|
6 3.222124 0.08992700
|
||
|
|
7 1.772120 -0.09008600
|
||
|
|
8 0.841163 -0.21644400
|
||
|
|
9 0.471976 -0.17925000
|
||
|
|
10 0.313224 -0.12816000
|
||
|
|
11 0.101013 0.33793500
|
||
|
|
12 0.049071 0.60918100
|
||
|
|
13 0.022782 0.24418100
|
||
|
|
S 13
|
||
|
|
1 66.882574 -0.00067900
|
||
|
|
2 33.776681 0.00545600
|
||
|
|
3 18.185884 -0.01668400
|
||
|
|
4 11.748619 -0.03173900
|
||
|
|
5 6.895190 0.10956000
|
||
|
|
6 3.222124 0.23329300
|
||
|
|
7 1.772120 -0.31020700
|
||
|
|
8 0.841163 -0.24508300
|
||
|
|
9 0.471976 -1.17524800
|
||
|
|
10 0.313224 1.03235900
|
||
|
|
11 0.101013 1.59903900
|
||
|
|
12 0.049071 -0.62399000
|
||
|
|
13 0.022782 -0.84749800
|
||
|
|
S 13
|
||
|
|
1 66.882574 -0.00145200
|
||
|
|
2 33.776681 0.01136200
|
||
|
|
3 18.185884 -0.03987600
|
||
|
|
4 11.748619 -0.02581000
|
||
|
|
5 6.895190 0.15794300
|
||
|
|
6 3.222124 0.45286800
|
||
|
|
7 1.772120 -0.76658700
|
||
|
|
8 0.841163 -0.60780000
|
||
|
|
9 0.471976 -1.71600200
|
||
|
|
10 0.313224 3.61400300
|
||
|
|
11 0.101013 -0.56948000
|
||
|
|
12 0.049071 -2.25596700
|
||
|
|
13 0.022782 1.91016000
|
||
|
|
S 13
|
||
|
|
1 66.882574 0.00043000
|
||
|
|
2 33.776681 -0.00113700
|
||
|
|
3 18.185884 0.02081200
|
||
|
|
4 11.748619 -0.18957800
|
||
|
|
5 6.895190 0.43867600
|
||
|
|
6 3.222124 0.26761800
|
||
|
|
7 1.772120 -0.73280800
|
||
|
|
8 0.841163 -3.04424000
|
||
|
|
9 0.471976 5.47606700
|
||
|
|
10 0.313224 -1.01760200
|
||
|
|
11 0.101013 -5.01443900
|
||
|
|
12 0.049071 6.15979200
|
||
|
|
13 0.022782 -2.69036800
|
||
|
|
S 1
|
||
|
|
1 0.022782 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.011000 1.00000000
|
||
|
|
P 13
|
||
|
|
1 77.690832 0.00008800
|
||
|
|
2 39.751864 -0.00075400
|
||
|
|
3 20.615633 0.00658400
|
||
|
|
4 11.537150 -0.00718900
|
||
|
|
5 7.597186 -0.06890300
|
||
|
|
6 3.765117 -0.01384200
|
||
|
|
7 2.051006 0.24870400
|
||
|
|
8 1.048648 0.43432800
|
||
|
|
9 0.550231 0.32690600
|
||
|
|
10 0.303840 0.10461700
|
||
|
|
11 0.165809 0.01851200
|
||
|
|
12 0.060419 0.00139500
|
||
|
|
13 0.024751 0.00009300
|
||
|
|
P 13
|
||
|
|
1 77.690832 0.00001700
|
||
|
|
2 39.751864 -0.00002600
|
||
|
|
3 20.615633 -0.00086100
|
||
|
|
4 11.537150 -0.00048300
|
||
|
|
5 7.597186 0.02136400
|
||
|
|
6 3.765117 -0.00370600
|
||
|
|
7 2.051006 -0.05871800
|
||
|
|
8 1.048648 -0.14336400
|
||
|
|
9 0.550231 -0.07728000
|
||
|
|
10 0.303840 -0.10776400
|
||
|
|
11 0.165809 0.32285900
|
||
|
|
12 0.060419 0.62172600
|
||
|
|
13 0.024751 0.25378700
|
||
|
|
P 13
|
||
|
|
1 77.690832 -0.00006300
|
||
|
|
2 39.751864 0.00054900
|
||
|
|
3 20.615633 -0.00512000
|
||
|
|
4 11.537150 0.00701100
|
||
|
|
5 7.597186 0.05366100
|
||
|
|
6 3.765117 0.00357400
|
||
|
|
7 2.051006 -0.23586100
|
||
|
|
8 1.048648 -0.49480100
|
||
|
|
9 0.550231 -0.22957500
|
||
|
|
10 0.303840 0.91797300
|
||
|
|
11 0.165809 0.62115500
|
||
|
|
12 0.060419 -0.82464800
|
||
|
|
13 0.024751 -0.15759200
|
||
|
|
P 13
|
||
|
|
1 77.690832 -0.00024300
|
||
|
|
2 39.751864 0.00156800
|
||
|
|
3 20.615633 -0.00955400
|
||
|
|
4 11.537150 0.01802000
|
||
|
|
5 7.597186 0.05100800
|
||
|
|
6 3.765117 0.04328000
|
||
|
|
7 2.051006 -0.40417800
|
||
|
|
8 1.048648 -0.82490400
|
||
|
|
9 0.550231 0.71001400
|
||
|
|
10 0.303840 2.22525500
|
||
|
|
11 0.165809 -2.74290300
|
||
|
|
12 0.060419 0.58142300
|
||
|
|
13 0.024751 0.48091000
|
||
|
|
P 13
|
||
|
|
1 77.690832 -0.00025600
|
||
|
|
2 39.751864 0.00108400
|
||
|
|
3 20.615633 0.00040000
|
||
|
|
4 11.537150 0.02195600
|
||
|
|
5 7.597186 -0.16269400
|
||
|
|
6 3.765117 0.00037100
|
||
|
|
7 2.051006 1.05365400
|
||
|
|
8 1.048648 0.65865100
|
||
|
|
9 0.550231 -4.72226800
|
||
|
|
10 0.303840 5.40799300
|
||
|
|
11 0.165809 -2.00216600
|
||
|
|
12 0.060419 -0.71482200
|
||
|
|
13 0.024751 0.92680100
|
||
|
|
P 1
|
||
|
|
1 0.024751 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.012000 1.00000000
|
||
|
|
D 11
|
||
|
|
1 60.996829 0.00005600
|
||
|
|
2 22.097637 0.00505400
|
||
|
|
3 10.186744 0.03222300
|
||
|
|
4 4.633892 0.08247900
|
||
|
|
5 2.146927 0.15936300
|
||
|
|
6 1.014536 0.22860400
|
||
|
|
7 0.487206 0.24369100
|
||
|
|
8 0.248191 0.23165100
|
||
|
|
9 0.131273 0.19543100
|
||
|
|
10 0.063714 0.21458900
|
||
|
|
11 0.021542 0.07411300
|
||
|
|
D 11
|
||
|
|
1 60.996829 -0.00007200
|
||
|
|
2 22.097637 -0.00607900
|
||
|
|
3 10.186744 -0.03905400
|
||
|
|
4 4.633892 -0.10065200
|
||
|
|
5 2.146927 -0.19433000
|
||
|
|
6 1.014536 -0.25355600
|
||
|
|
7 0.487206 -0.21355600
|
||
|
|
8 0.248191 0.05418200
|
||
|
|
9 0.131273 0.26118800
|
||
|
|
10 0.063714 0.52021500
|
||
|
|
11 0.021542 0.16690700
|
||
|
|
D 11
|
||
|
|
1 60.996829 0.00005400
|
||
|
|
2 22.097637 0.00819500
|
||
|
|
3 10.186744 0.05007300
|
||
|
|
4 4.633892 0.13617400
|
||
|
|
5 2.146927 0.24651600
|
||
|
|
6 1.014536 0.25815800
|
||
|
|
7 0.487206 -0.12479900
|
||
|
|
8 0.248191 -0.43908100
|
||
|
|
9 0.131273 -0.47534700
|
||
|
|
10 0.063714 0.52718700
|
||
|
|
11 0.021542 0.47337300
|
||
|
|
D 11
|
||
|
|
1 60.996829 -0.00013200
|
||
|
|
2 22.097637 -0.01019500
|
||
|
|
3 10.186744 -0.06681500
|
||
|
|
4 4.633892 -0.17925500
|
||
|
|
5 2.146927 -0.33873300
|
||
|
|
6 1.014536 -0.14578400
|
||
|
|
7 0.487206 0.70044400
|
||
|
|
8 0.248191 0.51197600
|
||
|
|
9 0.131273 -1.01912300
|
||
|
|
10 0.063714 -0.09222100
|
||
|
|
11 0.021542 0.69667500
|
||
|
|
D 1
|
||
|
|
1 0.021542 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.010000 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.034940 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.121673 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.423707 1.00000000
|
||
|
|
F 1
|
||
|
|
1 1.475494 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.155030 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.318017 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.652356 1.00000000
|
||
|
|
H 1
|
||
|
|
1 0.472110 1.00000000
|
||
|
|
H 1
|
||
|
|
1 3.057835 1.00000000
|
||
|
|
|
||
|
|
TITANIUM
|
||
|
|
S 13
|
||
|
|
1 68.910511 0.00061600
|
||
|
|
2 33.720700 -0.00750100
|
||
|
|
3 18.159676 0.01221800
|
||
|
|
4 12.419305 0.14473900
|
||
|
|
5 7.532195 -0.32862100
|
||
|
|
6 3.504444 -0.31751700
|
||
|
|
7 1.910727 0.35742200
|
||
|
|
8 0.888840 0.67140600
|
||
|
|
9 0.447198 0.28222600
|
||
|
|
10 0.281192 0.03867300
|
||
|
|
11 0.100258 0.00455900
|
||
|
|
12 0.046525 -0.00156500
|
||
|
|
13 0.021840 0.00039800
|
||
|
|
S 13
|
||
|
|
1 68.910511 -0.00015600
|
||
|
|
2 33.720700 0.00196600
|
||
|
|
3 18.159676 -0.00399400
|
||
|
|
4 12.419305 -0.03637700
|
||
|
|
5 7.532195 0.08859300
|
||
|
|
6 3.504444 0.08563000
|
||
|
|
7 1.910727 -0.10599300
|
||
|
|
8 0.888840 -0.23742100
|
||
|
|
9 0.447198 -0.23535900
|
||
|
|
10 0.281192 -0.01296000
|
||
|
|
11 0.100258 0.43358200
|
||
|
|
12 0.046525 0.57787300
|
||
|
|
13 0.021840 0.16436000
|
||
|
|
S 13
|
||
|
|
1 68.910511 0.00063500
|
||
|
|
2 33.720700 -0.00646800
|
||
|
|
3 18.159676 0.02344400
|
||
|
|
4 12.419305 0.03892100
|
||
|
|
5 7.532195 -0.14118000
|
||
|
|
6 3.504444 -0.21476500
|
||
|
|
7 1.910727 0.32015100
|
||
|
|
8 0.888840 0.45106200
|
||
|
|
9 0.447198 0.85519100
|
||
|
|
10 0.281192 -1.20922400
|
||
|
|
11 0.100258 -1.31948100
|
||
|
|
12 0.046525 0.86651700
|
||
|
|
13 0.021840 0.61891600
|
||
|
|
S 13
|
||
|
|
1 68.910511 -0.00117800
|
||
|
|
2 33.720700 0.01187700
|
||
|
|
3 18.159676 -0.04724000
|
||
|
|
4 12.419305 -0.05092200
|
||
|
|
5 7.532195 0.23774600
|
||
|
|
6 3.504444 0.40318500
|
||
|
|
7 1.910727 -0.79096100
|
||
|
|
8 0.888840 -1.10227600
|
||
|
|
9 0.447198 0.20944600
|
||
|
|
10 0.281192 2.52735200
|
||
|
|
11 0.100258 -1.78904100
|
||
|
|
12 0.046525 -0.86784200
|
||
|
|
13 0.021840 1.42739500
|
||
|
|
S 13
|
||
|
|
1 68.910511 0.00011500
|
||
|
|
2 33.720700 0.00283300
|
||
|
|
3 18.159676 0.00614100
|
||
|
|
4 12.419305 -0.20968200
|
||
|
|
5 7.532195 0.51836700
|
||
|
|
6 3.504444 0.30416400
|
||
|
|
7 1.910727 -1.23286300
|
||
|
|
8 0.888840 -2.09050800
|
||
|
|
9 0.447198 7.09271500
|
||
|
|
10 0.281192 -4.54374400
|
||
|
|
11 0.100258 -2.24827000
|
||
|
|
12 0.046525 4.47391800
|
||
|
|
13 0.021840 -2.42629600
|
||
|
|
S 1
|
||
|
|
1 0.021840 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.010000 1.00000000
|
||
|
|
P 13
|
||
|
|
1 84.914002 0.00009300
|
||
|
|
2 42.855051 -0.00083600
|
||
|
|
3 21.700131 0.00867900
|
||
|
|
4 12.214690 -0.01117800
|
||
|
|
5 8.319164 -0.07776700
|
||
|
|
6 4.091071 -0.00611300
|
||
|
|
7 2.286543 0.27182800
|
||
|
|
8 1.159810 0.45958500
|
||
|
|
9 0.591343 0.31590000
|
||
|
|
10 0.312862 0.07168300
|
||
|
|
11 0.184828 0.01054100
|
||
|
|
12 0.068590 0.00004500
|
||
|
|
13 0.026791 -0.00083700
|
||
|
|
P 13
|
||
|
|
1 84.914002 0.00002000
|
||
|
|
2 42.855051 -0.00004900
|
||
|
|
3 21.700131 -0.00076100
|
||
|
|
4 12.214690 -0.00057500
|
||
|
|
5 8.319164 0.01828400
|
||
|
|
6 4.091071 -0.00594300
|
||
|
|
7 2.286543 -0.04321200
|
||
|
|
8 1.159810 -0.11251300
|
||
|
|
9 0.591343 -0.05207300
|
||
|
|
10 0.312862 -0.09226300
|
||
|
|
11 0.184828 0.24394600
|
||
|
|
12 0.068590 0.41310100
|
||
|
|
13 0.026791 0.54398500
|
||
|
|
P 13
|
||
|
|
1 84.914002 0.00001900
|
||
|
|
2 42.855051 0.00013800
|
||
|
|
3 21.700131 -0.00462200
|
||
|
|
4 12.214690 0.00446500
|
||
|
|
5 8.319164 0.06576000
|
||
|
|
6 4.091071 -0.01892700
|
||
|
|
7 2.286543 -0.22252400
|
||
|
|
8 1.159810 -0.52389000
|
||
|
|
9 0.591343 -0.07127700
|
||
|
|
10 0.312862 0.81271200
|
||
|
|
11 0.184828 0.62549800
|
||
|
|
12 0.068590 -0.81218900
|
||
|
|
13 0.026791 -0.18579600
|
||
|
|
P 13
|
||
|
|
1 84.914002 -0.00025700
|
||
|
|
2 42.855051 0.00172500
|
||
|
|
3 21.700131 -0.01264600
|
||
|
|
4 12.214690 0.02906200
|
||
|
|
5 8.319164 0.05897900
|
||
|
|
6 4.091071 0.03080600
|
||
|
|
7 2.286543 -0.52437300
|
||
|
|
8 1.159810 -0.72096800
|
||
|
|
9 0.591343 1.02320400
|
||
|
|
10 0.312862 1.97387400
|
||
|
|
11 0.184828 -2.80509200
|
||
|
|
12 0.068590 0.60795400
|
||
|
|
13 0.026791 0.44765300
|
||
|
|
P 13
|
||
|
|
1 84.914002 0.00027100
|
||
|
|
2 42.855051 -0.00190200
|
||
|
|
3 21.700131 0.01541200
|
||
|
|
4 12.214690 -0.03758600
|
||
|
|
5 8.319164 -0.12453600
|
||
|
|
6 4.091071 0.04081200
|
||
|
|
7 2.286543 1.34382300
|
||
|
|
8 1.159810 -0.26941100
|
||
|
|
9 0.591343 -3.72959000
|
||
|
|
10 0.312862 5.88498300
|
||
|
|
11 0.184828 -3.11385300
|
||
|
|
12 0.068590 -0.25697300
|
||
|
|
13 0.026791 0.71073300
|
||
|
|
P 1
|
||
|
|
1 0.026791 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.013000 1.00000000
|
||
|
|
D 11
|
||
|
|
1 77.434559 0.00002200
|
||
|
|
2 27.708477 0.00421800
|
||
|
|
3 12.914284 0.03008700
|
||
|
|
4 6.062674 0.08482100
|
||
|
|
5 2.863898 0.17111000
|
||
|
|
6 1.386559 0.24745100
|
||
|
|
7 0.677058 0.27731000
|
||
|
|
8 0.329864 0.26107700
|
||
|
|
9 0.159474 0.19033600
|
||
|
|
10 0.076174 0.11938500
|
||
|
|
11 0.028570 0.03129700
|
||
|
|
D 11
|
||
|
|
1 77.434559 -0.00002500
|
||
|
|
2 27.708477 -0.00431100
|
||
|
|
3 12.914284 -0.03091300
|
||
|
|
4 6.062674 -0.08804900
|
||
|
|
5 2.863898 -0.17833000
|
||
|
|
6 1.386559 -0.23433500
|
||
|
|
7 0.677058 -0.19577500
|
||
|
|
8 0.329864 0.06587200
|
||
|
|
9 0.159474 0.33053600
|
||
|
|
10 0.076174 0.46122900
|
||
|
|
11 0.028570 0.18427300
|
||
|
|
D 11
|
||
|
|
1 77.434559 0.00001000
|
||
|
|
2 27.708477 0.00618700
|
||
|
|
3 12.914284 0.04263000
|
||
|
|
4 6.062674 0.12752400
|
||
|
|
5 2.863898 0.24828900
|
||
|
|
6 1.386559 0.25976100
|
||
|
|
7 0.677058 -0.07079400
|
||
|
|
8 0.329864 -0.51939600
|
||
|
|
9 0.159474 -0.37365800
|
||
|
|
10 0.076174 0.45506700
|
||
|
|
11 0.028570 0.48958600
|
||
|
|
D 11
|
||
|
|
1 77.434559 0.00001100
|
||
|
|
2 27.708477 -0.00802600
|
||
|
|
3 12.914284 -0.05387500
|
||
|
|
4 6.062674 -0.16879500
|
||
|
|
5 2.863898 -0.31234400
|
||
|
|
6 1.386559 -0.17203100
|
||
|
|
7 0.677058 0.58763300
|
||
|
|
8 0.329864 0.52859200
|
||
|
|
9 0.159474 -0.85964400
|
||
|
|
10 0.076174 -0.27383100
|
||
|
|
11 0.028570 0.80275400
|
||
|
|
D 1
|
||
|
|
1 0.028570 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.014000 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.055499 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.193613 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.675430 1.00000000
|
||
|
|
F 1
|
||
|
|
1 2.356279 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.101467 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.402576 1.00000000
|
||
|
|
G 1
|
||
|
|
1 1.597247 1.00000000
|
||
|
|
H 1
|
||
|
|
1 0.316183 1.00000000
|
||
|
|
H 1
|
||
|
|
1 0.848174 1.00000000
|
||
|
|
|
||
|
|
VANADIUM
|
||
|
|
S 13
|
||
|
|
1 68.577621 0.00080400
|
||
|
|
2 34.937147 -0.01159400
|
||
|
|
3 17.939491 0.09220900
|
||
|
|
4 11.262123 -0.04547700
|
||
|
|
5 6.776264 -0.28798300
|
||
|
|
6 3.524091 -0.21764800
|
||
|
|
7 1.938421 0.40750900
|
||
|
|
8 0.927153 0.65819300
|
||
|
|
9 0.448420 0.25523400
|
||
|
|
10 0.209668 0.00862000
|
||
|
|
11 0.103660 0.00273400
|
||
|
|
12 0.050630 -0.00116100
|
||
|
|
13 0.024201 0.00029400
|
||
|
|
S 13
|
||
|
|
1 68.577621 -0.00017700
|
||
|
|
2 34.937147 0.00279100
|
||
|
|
3 17.939491 -0.02365000
|
||
|
|
4 11.262123 0.01250400
|
||
|
|
5 6.776264 0.07876100
|
||
|
|
6 3.524091 0.05497400
|
||
|
|
7 1.938421 -0.11895500
|
||
|
|
8 0.927153 -0.24534100
|
||
|
|
9 0.448420 -0.22295900
|
||
|
|
10 0.209668 0.04780900
|
||
|
|
11 0.103660 0.41537400
|
||
|
|
12 0.050630 0.54088000
|
||
|
|
13 0.024201 0.18342100
|
||
|
|
S 13
|
||
|
|
1 68.577621 -0.00058300
|
||
|
|
2 34.937147 0.00957000
|
||
|
|
3 17.939491 -0.08560600
|
||
|
|
4 11.262123 0.04842600
|
||
|
|
5 6.776264 0.33123900
|
||
|
|
6 3.524091 0.14035200
|
||
|
|
7 1.938421 -0.90796200
|
||
|
|
8 0.927153 -0.50387800
|
||
|
|
9 0.448420 0.39893800
|
||
|
|
10 0.209668 0.97113100
|
||
|
|
11 0.103660 0.42399900
|
||
|
|
12 0.050630 -0.62864600
|
||
|
|
13 0.024201 -0.46749500
|
||
|
|
S 13
|
||
|
|
1 68.577621 -0.00076500
|
||
|
|
2 34.937147 0.01452900
|
||
|
|
3 17.939491 -0.13961800
|
||
|
|
4 11.262123 0.06307300
|
||
|
|
5 6.776264 0.70419300
|
||
|
|
6 3.524091 -0.01160200
|
||
|
|
7 1.938421 -2.31160400
|
||
|
|
8 0.927153 0.76826900
|
||
|
|
9 0.448420 2.16892000
|
||
|
|
10 0.209668 -1.06267100
|
||
|
|
11 0.103660 -1.21815100
|
||
|
|
12 0.050630 0.34080900
|
||
|
|
13 0.024201 0.71332200
|
||
|
|
S 13
|
||
|
|
1 68.577621 -0.00356700
|
||
|
|
2 34.937147 0.01000700
|
||
|
|
3 17.939491 0.04020200
|
||
|
|
4 11.262123 0.34329500
|
||
|
|
5 6.776264 -2.09702200
|
||
|
|
6 3.524091 2.80403900
|
||
|
|
7 1.938421 1.20663800
|
||
|
|
8 0.927153 -4.50572400
|
||
|
|
9 0.448420 2.15832500
|
||
|
|
10 0.209668 2.12989200
|
||
|
|
11 0.103660 -2.26503700
|
||
|
|
12 0.050630 -0.68105100
|
||
|
|
13 0.024201 1.25786200
|
||
|
|
S 1
|
||
|
|
1 0.024201 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.012000 1.00000000
|
||
|
|
P 13
|
||
|
|
1 96.215967 0.00006900
|
||
|
|
2 49.579340 -0.00067200
|
||
|
|
3 25.638009 0.00819900
|
||
|
|
4 14.025942 -0.02710800
|
||
|
|
5 8.740334 -0.05302100
|
||
|
|
6 4.634840 0.00500200
|
||
|
|
7 2.553374 0.26198600
|
||
|
|
8 1.321166 0.43354400
|
||
|
|
9 0.681285 0.32494700
|
||
|
|
10 0.349458 0.09234200
|
||
|
|
11 0.172773 0.00896400
|
||
|
|
12 0.063300 0.00118500
|
||
|
|
13 0.033969 0.00010400
|
||
|
|
P 13
|
||
|
|
1 96.215967 0.00004000
|
||
|
|
2 49.579340 -0.00013300
|
||
|
|
3 25.638009 -0.00095500
|
||
|
|
4 14.025942 0.00371900
|
||
|
|
5 8.740334 0.01886600
|
||
|
|
6 4.634840 -0.01207400
|
||
|
|
7 2.553374 -0.05710700
|
||
|
|
8 1.321166 -0.14643300
|
||
|
|
9 0.681285 -0.06736500
|
||
|
|
10 0.349458 -0.06825400
|
||
|
|
11 0.172773 0.40310300
|
||
|
|
12 0.063300 0.50266800
|
||
|
|
13 0.033969 0.26129100
|
||
|
|
P 13
|
||
|
|
1 96.215967 -0.00005300
|
||
|
|
2 49.579340 0.00002300
|
||
|
|
3 25.638009 0.00462900
|
||
|
|
4 14.025942 -0.00775500
|
||
|
|
5 8.740334 -0.10413300
|
||
|
|
6 4.634840 -0.01776200
|
||
|
|
7 2.553374 0.72821200
|
||
|
|
8 1.321166 0.21882600
|
||
|
|
9 0.681285 -0.49322300
|
||
|
|
10 0.349458 -0.83819200
|
||
|
|
11 0.172773 0.39840100
|
||
|
|
12 0.063300 0.66458900
|
||
|
|
13 0.033969 0.03301100
|
||
|
|
P 13
|
||
|
|
1 96.215967 -0.00126200
|
||
|
|
2 49.579340 0.00641900
|
||
|
|
3 25.638009 -0.02122900
|
||
|
|
4 14.025942 0.11577700
|
||
|
|
5 8.740334 -0.42074000
|
||
|
|
6 4.634840 0.19774200
|
||
|
|
7 2.553374 1.57560000
|
||
|
|
8 1.321166 -1.06791300
|
||
|
|
9 0.681285 -1.31008300
|
||
|
|
10 0.349458 1.19114700
|
||
|
|
11 0.172773 0.55051600
|
||
|
|
12 0.063300 -0.71878800
|
||
|
|
13 0.033969 -0.15744100
|
||
|
|
P 13
|
||
|
|
1 96.215967 -0.00478000
|
||
|
|
2 49.579340 0.02531200
|
||
|
|
3 25.638009 -0.09426700
|
||
|
|
4 14.025942 0.43789600
|
||
|
|
5 8.740334 -1.44316600
|
||
|
|
6 4.634840 2.63678000
|
||
|
|
7 2.553374 -0.38243600
|
||
|
|
8 1.321166 -2.76188100
|
||
|
|
9 0.681285 2.15975600
|
||
|
|
10 0.349458 0.67615100
|
||
|
|
11 0.172773 -1.62151700
|
||
|
|
12 0.063300 0.42916400
|
||
|
|
13 0.033969 0.40017800
|
||
|
|
P 1
|
||
|
|
1 0.033969 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.016000 1.00000000
|
||
|
|
D 11
|
||
|
|
1 89.989649 0.00005100
|
||
|
|
2 33.132961 0.00480400
|
||
|
|
3 15.879656 0.02948500
|
||
|
|
4 7.465803 0.08624900
|
||
|
|
5 3.551993 0.17972800
|
||
|
|
6 1.728185 0.26185000
|
||
|
|
7 0.850498 0.29179400
|
||
|
|
8 0.417673 0.25935600
|
||
|
|
9 0.201523 0.17494400
|
||
|
|
10 0.100711 0.06227800
|
||
|
|
11 0.058959 0.02765300
|
||
|
|
D 11
|
||
|
|
1 89.989649 -0.00003800
|
||
|
|
2 33.132961 -0.00459000
|
||
|
|
3 15.879656 -0.02756300
|
||
|
|
4 7.465803 -0.08277500
|
||
|
|
5 3.551993 -0.17349400
|
||
|
|
6 1.728185 -0.23618800
|
||
|
|
7 0.850498 -0.14922600
|
||
|
|
8 0.417673 0.04414500
|
||
|
|
9 0.201523 0.39050000
|
||
|
|
10 0.100711 0.20306400
|
||
|
|
11 0.058959 0.39800200
|
||
|
|
D 11
|
||
|
|
1 89.989649 0.00012800
|
||
|
|
2 33.132961 0.00665200
|
||
|
|
3 15.879656 0.04463500
|
||
|
|
4 7.465803 0.12255900
|
||
|
|
5 3.551993 0.31114700
|
||
|
|
6 1.728185 0.28881300
|
||
|
|
7 0.850498 -0.14224600
|
||
|
|
8 0.417673 -0.61373700
|
||
|
|
9 0.201523 -0.12391600
|
||
|
|
10 0.100711 -0.02023500
|
||
|
|
11 0.058959 0.73325900
|
||
|
|
D 11
|
||
|
|
1 89.989649 0.00004500
|
||
|
|
2 33.132961 -0.01039400
|
||
|
|
3 15.879656 -0.05505100
|
||
|
|
4 7.465803 -0.17145700
|
||
|
|
5 3.551993 -0.51992200
|
||
|
|
6 1.728185 0.09902600
|
||
|
|
7 0.850498 0.82933200
|
||
|
|
8 0.417673 -0.07090800
|
||
|
|
9 0.201523 -0.47117100
|
||
|
|
10 0.100711 -0.87878900
|
||
|
|
11 0.058959 1.21174700
|
||
|
|
D 1
|
||
|
|
1 0.058959 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.027000 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.092956 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.309164 1.00000000
|
||
|
|
F 1
|
||
|
|
1 1.028253 1.00000000
|
||
|
|
F 1
|
||
|
|
1 3.419885 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.290466 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.946128 1.00000000
|
||
|
|
G 1
|
||
|
|
1 3.081804 1.00000000
|
||
|
|
H 1
|
||
|
|
1 0.913918 1.00000000
|
||
|
|
H 1
|
||
|
|
1 2.514905 1.00000000
|
||
|
|
|
||
|
|
CHROMIUM
|
||
|
|
S 13
|
||
|
|
1 73.977737 0.00086400
|
||
|
|
2 37.684349 -0.01159500
|
||
|
|
3 19.278723 0.09046700
|
||
|
|
4 12.130763 -0.02483700
|
||
|
|
5 7.453002 -0.33040700
|
||
|
|
6 3.756296 -0.20059800
|
||
|
|
7 2.084137 0.44976600
|
||
|
|
8 0.993314 0.64757500
|
||
|
|
9 0.483094 0.22902500
|
||
|
|
10 0.225854 0.00921700
|
||
|
|
11 0.115338 0.00113200
|
||
|
|
12 0.052134 -0.00036700
|
||
|
|
13 0.023679 0.00009200
|
||
|
|
S 13
|
||
|
|
1 73.977737 -0.00018300
|
||
|
|
2 37.684349 0.00270400
|
||
|
|
3 19.278723 -0.02265000
|
||
|
|
4 12.130763 0.00718100
|
||
|
|
5 7.453002 0.08770500
|
||
|
|
6 3.756296 0.04761600
|
||
|
|
7 2.084137 -0.12567200
|
||
|
|
8 0.993314 -0.24457100
|
||
|
|
9 0.483094 -0.19841900
|
||
|
|
10 0.225854 0.03088900
|
||
|
|
11 0.115338 0.42393500
|
||
|
|
12 0.052134 0.57694100
|
||
|
|
13 0.023679 0.14832300
|
||
|
|
S 13
|
||
|
|
1 73.977737 -0.00032700
|
||
|
|
2 37.684349 0.00530900
|
||
|
|
3 19.278723 -0.04690500
|
||
|
|
4 12.130763 0.01541100
|
||
|
|
5 7.453002 0.19169700
|
||
|
|
6 3.756296 0.09975900
|
||
|
|
7 2.084137 -0.33899400
|
||
|
|
8 0.993314 -0.69580600
|
||
|
|
9 0.483094 -0.00731500
|
||
|
|
10 0.225854 1.11859900
|
||
|
|
11 0.115338 0.71725700
|
||
|
|
12 0.052134 -0.86856500
|
||
|
|
13 0.023679 -0.46718600
|
||
|
|
S 13
|
||
|
|
1 73.977737 -0.00069800
|
||
|
|
2 37.684349 0.01020700
|
||
|
|
3 19.278723 -0.09126100
|
||
|
|
4 12.130763 0.05220700
|
||
|
|
5 7.453002 0.34216400
|
||
|
|
6 3.756296 0.17486600
|
||
|
|
7 2.084137 -0.99425800
|
||
|
|
8 0.993314 -1.19060400
|
||
|
|
9 0.483094 2.27183400
|
||
|
|
10 0.225854 1.00301300
|
||
|
|
11 0.115338 -2.60523500
|
||
|
|
12 0.052134 0.26515800
|
||
|
|
13 0.023679 0.90228600
|
||
|
|
S 13
|
||
|
|
1 73.977737 0.00298300
|
||
|
|
2 37.684349 -0.02696900
|
||
|
|
3 19.278723 0.19930400
|
||
|
|
4 12.130763 -0.25709400
|
||
|
|
5 7.453002 -0.31292400
|
||
|
|
6 3.756296 -0.37282300
|
||
|
|
7 2.084137 2.61267600
|
||
|
|
8 0.993314 -1.10831900
|
||
|
|
9 0.483094 -3.52097300
|
||
|
|
10 0.225854 5.38631500
|
||
|
|
11 0.115338 -1.94819200
|
||
|
|
12 0.052134 -1.98569900
|
||
|
|
13 0.023679 1.70618700
|
||
|
|
S 1
|
||
|
|
1 0.023679 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.011000 1.00000000
|
||
|
|
P 13
|
||
|
|
1 101.951240 0.00008800
|
||
|
|
2 52.309865 -0.00074700
|
||
|
|
3 27.142574 0.00713500
|
||
|
|
4 15.066862 -0.01470200
|
||
|
|
5 9.693669 -0.07335300
|
||
|
|
6 4.985710 0.01200700
|
||
|
|
7 2.761266 0.28311700
|
||
|
|
8 1.417673 0.44078600
|
||
|
|
9 0.728201 0.30677500
|
||
|
|
10 0.378189 0.08180400
|
||
|
|
11 0.189359 0.00883900
|
||
|
|
12 0.072301 0.00102200
|
||
|
|
13 0.037471 0.00032500
|
||
|
|
P 13
|
||
|
|
1 101.951240 0.00002800
|
||
|
|
2 52.309865 -0.00008500
|
||
|
|
3 27.142574 -0.00075100
|
||
|
|
4 15.066862 0.00084400
|
||
|
|
5 9.693669 0.02265600
|
||
|
|
6 4.985710 -0.01278100
|
||
|
|
7 2.761266 -0.06238600
|
||
|
|
8 1.417673 -0.14358100
|
||
|
|
9 0.728201 -0.06228100
|
||
|
|
10 0.378189 -0.05447100
|
||
|
|
11 0.189359 0.37713500
|
||
|
|
12 0.072301 0.47163300
|
||
|
|
13 0.037471 0.31162400
|
||
|
|
P 13
|
||
|
|
1 101.951240 -0.00013700
|
||
|
|
2 52.309865 0.00093200
|
||
|
|
3 27.142574 -0.00684500
|
||
|
|
4 15.066862 0.01983100
|
||
|
|
5 9.693669 0.04364700
|
||
|
|
6 4.985710 -0.01928900
|
||
|
|
7 2.761266 -0.28118700
|
||
|
|
8 1.417673 -0.37029800
|
||
|
|
9 0.728201 -0.19987300
|
||
|
|
10 0.378189 1.02855200
|
||
|
|
11 0.189359 0.42371100
|
||
|
|
12 0.072301 -0.80092600
|
||
|
|
13 0.037471 -0.14191000
|
||
|
|
P 13
|
||
|
|
1 101.951240 0.00002700
|
||
|
|
2 52.309865 0.00018000
|
||
|
|
3 27.142574 -0.00574200
|
||
|
|
4 15.066862 0.02041900
|
||
|
|
5 9.693669 0.10052700
|
||
|
|
6 4.985710 -0.10060800
|
||
|
|
7 2.761266 -0.60774600
|
||
|
|
8 1.417673 -0.60170500
|
||
|
|
9 0.728201 1.45090500
|
||
|
|
10 0.378189 0.67229900
|
||
|
|
11 0.189359 -1.90482300
|
||
|
|
12 0.072301 0.66581400
|
||
|
|
13 0.037471 0.34852200
|
||
|
|
P 13
|
||
|
|
1 101.951240 0.00053400
|
||
|
|
2 52.309865 -0.00333900
|
||
|
|
3 27.142574 0.01766200
|
||
|
|
4 15.066862 -0.08424900
|
||
|
|
5 9.693669 -0.08077700
|
||
|
|
6 4.985710 0.27239200
|
||
|
|
7 2.761266 1.31045500
|
||
|
|
8 1.417673 -1.06179300
|
||
|
|
9 0.728201 -2.37680500
|
||
|
|
10 0.378189 4.47731700
|
||
|
|
11 0.189359 -2.79579800
|
||
|
|
12 0.072301 0.20300800
|
||
|
|
13 0.037471 0.57055500
|
||
|
|
P 1
|
||
|
|
1 0.037471 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.018000 1.00000000
|
||
|
|
D 11
|
||
|
|
1 120.683729 -0.00000600
|
||
|
|
2 42.646591 0.00311100
|
||
|
|
3 21.154405 0.02864100
|
||
|
|
4 9.708242 0.07622200
|
||
|
|
5 4.614990 0.17059500
|
||
|
|
6 2.243726 0.26690800
|
||
|
|
7 1.086491 0.31103900
|
||
|
|
8 0.524700 0.26731200
|
||
|
|
9 0.255752 0.16333600
|
||
|
|
10 0.121497 0.06278200
|
||
|
|
11 0.054339 0.00787200
|
||
|
|
D 11
|
||
|
|
1 120.683729 0.00001700
|
||
|
|
2 42.646591 -0.00357600
|
||
|
|
3 21.154405 -0.03147600
|
||
|
|
4 9.708242 -0.08758300
|
||
|
|
5 4.614990 -0.19574000
|
||
|
|
6 2.243726 -0.27013200
|
||
|
|
7 1.086491 -0.17003400
|
||
|
|
8 0.524700 0.14341200
|
||
|
|
9 0.255752 0.40868700
|
||
|
|
10 0.121497 0.37025700
|
||
|
|
11 0.054339 0.12311200
|
||
|
|
D 11
|
||
|
|
1 120.683729 0.00004000
|
||
|
|
2 42.646591 -0.00518100
|
||
|
|
3 21.154405 -0.04339300
|
||
|
|
4 9.708242 -0.12773400
|
||
|
|
5 4.614990 -0.28207000
|
||
|
|
6 2.243726 -0.28839000
|
||
|
|
7 1.086491 0.16826900
|
||
|
|
8 0.524700 0.67306200
|
||
|
|
9 0.255752 0.09919600
|
||
|
|
10 0.121497 -0.57061200
|
||
|
|
11 0.054339 -0.29719700
|
||
|
|
D 11
|
||
|
|
1 120.683729 0.00011900
|
||
|
|
2 42.646591 -0.00795400
|
||
|
|
3 21.154405 -0.06042500
|
||
|
|
4 9.708242 -0.19681000
|
||
|
|
5 4.614990 -0.40138900
|
||
|
|
6 2.243726 -0.07218600
|
||
|
|
7 1.086491 0.94089500
|
||
|
|
8 0.524700 0.03586300
|
||
|
|
9 0.255752 -1.15352900
|
||
|
|
10 0.121497 0.43219200
|
||
|
|
11 0.054339 0.48316100
|
||
|
|
D 1
|
||
|
|
1 0.054339 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.026000 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.100815 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.342104 1.00000000
|
||
|
|
F 1
|
||
|
|
1 1.160895 1.00000000
|
||
|
|
F 1
|
||
|
|
1 3.939379 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.190079 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.715513 1.00000000
|
||
|
|
G 1
|
||
|
|
1 2.693396 1.00000000
|
||
|
|
H 1
|
||
|
|
1 0.590356 1.00000000
|
||
|
|
H 1
|
||
|
|
1 1.706513 1.00000000
|
||
|
|
|
||
|
|
MANGANESE
|
||
|
|
S 13
|
||
|
|
1 76.008334 0.00099300
|
||
|
|
2 39.277974 -0.01479600
|
||
|
|
3 20.405805 0.12071000
|
||
|
|
4 12.218680 -0.12400100
|
||
|
|
5 7.182690 -0.32020000
|
||
|
|
6 3.850780 -0.10562200
|
||
|
|
7 2.142489 0.47272100
|
||
|
|
8 1.049631 0.62038700
|
||
|
|
9 0.508682 0.20455300
|
||
|
|
10 0.192243 0.00592400
|
||
|
|
11 0.108899 -0.00009700
|
||
|
|
12 0.053425 -0.00018500
|
||
|
|
13 0.025236 0.00006100
|
||
|
|
S 13
|
||
|
|
1 76.008334 -0.00019900
|
||
|
|
2 39.277974 0.00335200
|
||
|
|
3 20.405805 -0.02941300
|
||
|
|
4 12.218680 0.03209100
|
||
|
|
5 7.182690 0.08315200
|
||
|
|
6 3.850780 0.02128300
|
||
|
|
7 2.142489 -0.12998900
|
||
|
|
8 1.049631 -0.23900600
|
||
|
|
9 0.508682 -0.18031500
|
||
|
|
10 0.192243 0.11014800
|
||
|
|
11 0.108899 0.40442600
|
||
|
|
12 0.053425 0.51730700
|
||
|
|
13 0.025236 0.14813900
|
||
|
|
S 13
|
||
|
|
1 76.008334 -0.00009100
|
||
|
|
2 39.277974 0.00537400
|
||
|
|
3 20.405805 -0.05849400
|
||
|
|
4 12.218680 0.05634500
|
||
|
|
5 7.182690 0.22787400
|
||
|
|
6 3.850780 -0.00842000
|
||
|
|
7 2.142489 -0.32077700
|
||
|
|
8 1.049631 -0.81313700
|
||
|
|
9 0.508682 0.32647500
|
||
|
|
10 0.192243 1.44754000
|
||
|
|
11 0.108899 0.02132100
|
||
|
|
12 0.053425 -0.67832300
|
||
|
|
13 0.025236 -0.45282800
|
||
|
|
S 13
|
||
|
|
1 76.008334 -0.00052600
|
||
|
|
2 39.277974 0.01138000
|
||
|
|
3 20.405805 -0.11603400
|
||
|
|
4 12.218680 0.14932900
|
||
|
|
5 7.182690 0.36015400
|
||
|
|
6 3.850780 0.02517400
|
||
|
|
7 2.142489 -1.17012500
|
||
|
|
8 1.049631 -0.87212300
|
||
|
|
9 0.508682 2.55063300
|
||
|
|
10 0.192243 0.09034300
|
||
|
|
11 0.108899 -2.21058800
|
||
|
|
12 0.053425 0.47058200
|
||
|
|
13 0.025236 0.83217500
|
||
|
|
S 13
|
||
|
|
1 76.008334 0.00409700
|
||
|
|
2 39.277974 -0.03635300
|
||
|
|
3 20.405805 0.26570800
|
||
|
|
4 12.218680 -0.48518700
|
||
|
|
5 7.182690 -0.23228800
|
||
|
|
6 3.850780 -0.24179800
|
||
|
|
7 2.142489 3.38791800
|
||
|
|
8 1.049631 -3.26857300
|
||
|
|
9 0.508682 -0.83790100
|
||
|
|
10 0.192243 5.26227100
|
||
|
|
11 0.108899 -4.29984700
|
||
|
|
12 0.053425 -0.44524000
|
||
|
|
13 0.025236 1.29402600
|
||
|
|
S 1
|
||
|
|
1 0.025236 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.012000 1.00000000
|
||
|
|
P 13
|
||
|
|
1 113.479709 0.00010300
|
||
|
|
2 58.160819 -0.00089400
|
||
|
|
3 30.043076 0.00884400
|
||
|
|
4 16.753323 -0.01968500
|
||
|
|
5 10.705604 -0.06919000
|
||
|
|
6 5.557903 0.01150800
|
||
|
|
7 3.080151 0.28231300
|
||
|
|
8 1.582963 0.43867800
|
||
|
|
9 0.810922 0.30984300
|
||
|
|
10 0.413396 0.08394500
|
||
|
|
11 0.195480 0.00751700
|
||
|
|
12 0.072688 0.00110000
|
||
|
|
13 0.035877 0.00029000
|
||
|
|
P 13
|
||
|
|
1 113.479709 0.00001900
|
||
|
|
2 58.160819 -0.00002400
|
||
|
|
3 30.043076 -0.00122400
|
||
|
|
4 16.753323 0.00232000
|
||
|
|
5 10.705604 0.02075800
|
||
|
|
6 5.557903 -0.01157200
|
||
|
|
7 3.080151 -0.06291900
|
||
|
|
8 1.582963 -0.13675400
|
||
|
|
9 0.810922 -0.06729500
|
||
|
|
10 0.413396 -0.03102400
|
||
|
|
11 0.195480 0.37898100
|
||
|
|
12 0.072688 0.50782400
|
||
|
|
13 0.035877 0.26094100
|
||
|
|
P 13
|
||
|
|
1 113.479709 -0.00019700
|
||
|
|
2 58.160819 0.00135400
|
||
|
|
3 30.043076 -0.01010200
|
||
|
|
4 16.753323 0.03060300
|
||
|
|
5 10.705604 0.04620000
|
||
|
|
6 5.557903 -0.01758800
|
||
|
|
7 3.080151 -0.39592000
|
||
|
|
8 1.582963 -0.41909300
|
||
|
|
9 0.810922 0.07501700
|
||
|
|
10 0.413396 1.09298600
|
||
|
|
11 0.195480 0.00868000
|
||
|
|
12 0.072688 -0.75636900
|
||
|
|
13 0.035877 -0.04514900
|
||
|
|
P 13
|
||
|
|
1 113.479709 0.00001400
|
||
|
|
2 58.160819 0.00042100
|
||
|
|
3 30.043076 -0.00857300
|
||
|
|
4 16.753323 0.03879700
|
||
|
|
5 10.705604 0.09933800
|
||
|
|
6 5.557903 -0.14444500
|
||
|
|
7 3.080151 -0.82118200
|
||
|
|
8 1.582963 -0.25078500
|
||
|
|
9 0.810922 1.79017000
|
||
|
|
10 0.413396 -0.39954700
|
||
|
|
11 0.195480 -1.29438200
|
||
|
|
12 0.072688 0.84704700
|
||
|
|
13 0.035877 0.15171000
|
||
|
|
P 13
|
||
|
|
1 113.479709 -0.00021400
|
||
|
|
2 58.160819 0.00186900
|
||
|
|
3 30.043076 -0.01439900
|
||
|
|
4 16.753323 0.08866300
|
||
|
|
5 10.705604 0.11611700
|
||
|
|
6 5.557903 -0.47666500
|
||
|
|
7 3.080151 -1.47189600
|
||
|
|
8 1.582963 2.46363500
|
||
|
|
9 0.810922 0.10250800
|
||
|
|
10 0.413396 -2.77460100
|
||
|
|
11 0.195480 2.43625400
|
||
|
|
12 0.072688 -0.61701900
|
||
|
|
13 0.035877 -0.32367600
|
||
|
|
P 1
|
||
|
|
1 0.035877 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.017000 1.00000000
|
||
|
|
D 11
|
||
|
|
1 132.688182 0.00003000
|
||
|
|
2 45.266024 0.00529400
|
||
|
|
3 23.267336 0.02914300
|
||
|
|
4 10.605694 0.07677500
|
||
|
|
5 5.074684 0.16855100
|
||
|
|
6 2.469857 0.25683200
|
||
|
|
7 1.205883 0.28989100
|
||
|
|
8 0.590569 0.25715400
|
||
|
|
9 0.292055 0.18172600
|
||
|
|
10 0.149190 0.08998600
|
||
|
|
11 0.076511 0.03459500
|
||
|
|
D 11
|
||
|
|
1 132.688182 -0.00002100
|
||
|
|
2 45.266024 -0.00544900
|
||
|
|
3 23.267336 -0.02903200
|
||
|
|
4 10.605694 -0.07982500
|
||
|
|
5 5.074684 -0.17441500
|
||
|
|
6 2.469857 -0.25340400
|
||
|
|
7 1.205883 -0.17430500
|
||
|
|
8 0.590569 0.04508100
|
||
|
|
9 0.292055 0.34576000
|
||
|
|
10 0.149190 0.26372500
|
||
|
|
11 0.076511 0.37171500
|
||
|
|
D 11
|
||
|
|
1 132.688182 0.00006000
|
||
|
|
2 45.266024 0.00838500
|
||
|
|
3 23.267336 0.04580000
|
||
|
|
4 10.605694 0.12921500
|
||
|
|
5 5.074684 0.28432700
|
||
|
|
6 2.469857 0.27076000
|
||
|
|
7 1.205883 -0.10159100
|
||
|
|
8 0.590569 -0.58067700
|
||
|
|
9 0.292055 -0.18169600
|
||
|
|
10 0.149190 0.02100300
|
||
|
|
11 0.076511 0.72365800
|
||
|
|
D 11
|
||
|
|
1 132.688182 -0.00003700
|
||
|
|
2 45.266024 -0.01080900
|
||
|
|
3 23.267336 -0.05558200
|
||
|
|
4 10.605694 -0.17205300
|
||
|
|
5 5.074684 -0.38188900
|
||
|
|
6 2.469857 -0.13039900
|
||
|
|
7 1.205883 0.81899300
|
||
|
|
8 0.590569 0.18014500
|
||
|
|
9 0.292055 -0.60472000
|
||
|
|
10 0.149190 -0.73358400
|
||
|
|
11 0.076511 1.05874100
|
||
|
|
D 1
|
||
|
|
1 0.076511 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.034000 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.119783 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.405052 1.00000000
|
||
|
|
F 1
|
||
|
|
1 1.369701 1.00000000
|
||
|
|
F 1
|
||
|
|
1 4.631705 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.244611 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.893773 1.00000000
|
||
|
|
G 1
|
||
|
|
1 3.265719 1.00000000
|
||
|
|
H 1
|
||
|
|
1 0.740197 1.00000000
|
||
|
|
H 1
|
||
|
|
1 2.093484 1.00000000
|
||
|
|
|
||
|
|
S 13
|
||
|
|
1 84.322332 0.00078500
|
||
|
|
2 44.203528 -0.01278100
|
||
|
|
3 23.288963 0.10463500
|
||
|
|
4 13.385163 -0.11938500
|
||
|
|
5 7.518052 -0.33980400
|
||
|
|
6 4.101835 -0.04999400
|
||
|
|
7 2.253571 0.47695500
|
||
|
|
8 1.134924 0.59322200
|
||
|
|
9 0.561550 0.20015100
|
||
|
|
10 0.201961 0.00859100
|
||
|
|
11 0.108698 -0.00218800
|
||
|
|
12 0.053619 0.00067700
|
||
|
|
13 0.025823 -0.00014400
|
||
|
|
S 13
|
||
|
|
1 84.322332 -0.00016200
|
||
|
|
2 44.203528 0.00292100
|
||
|
|
3 23.288963 -0.02546600
|
||
|
|
4 13.385163 0.03118200
|
||
|
|
5 7.518052 0.08684900
|
||
|
|
6 4.101835 0.00684600
|
||
|
|
7 2.253571 -0.13185600
|
||
|
|
8 1.134924 -0.22774600
|
||
|
|
9 0.561550 -0.17307900
|
||
|
|
10 0.201961 0.13614200
|
||
|
|
11 0.108698 0.43401300
|
||
|
|
12 0.053619 0.47755500
|
||
|
|
13 0.025823 0.12880400
|
||
|
|
S 13
|
||
|
|
1 84.322332 0.00000200
|
||
|
|
2 44.203528 0.00410300
|
||
|
|
3 23.288963 -0.04684000
|
||
|
|
4 13.385163 0.05283300
|
||
|
|
5 7.518052 0.21809400
|
||
|
|
6 4.101835 -0.04499900
|
||
|
|
7 2.253571 -0.28738600
|
||
|
|
8 1.134924 -0.71322000
|
||
|
|
9 0.561550 0.24917400
|
||
|
|
10 0.201961 1.29987200
|
||
|
|
11 0.108698 0.19211900
|
||
|
|
12 0.053619 -0.65861600
|
||
|
|
13 0.025823 -0.52104700
|
||
|
|
S 13
|
||
|
|
1 84.322332 0.00001200
|
||
|
|
2 44.203528 0.00759800
|
||
|
|
3 23.288963 -0.09413300
|
||
|
|
4 13.385163 0.12765500
|
||
|
|
5 7.518052 0.43559800
|
||
|
|
6 4.101835 -0.14791100
|
||
|
|
7 2.253571 -1.08447700
|
||
|
|
8 1.134924 -0.88700300
|
||
|
|
9 0.561550 2.44994600
|
||
|
|
10 0.201961 0.16797600
|
||
|
|
11 0.108698 -2.11466800
|
||
|
|
12 0.053619 0.45257900
|
||
|
|
13 0.025823 0.80144400
|
||
|
|
S 13
|
||
|
|
1 84.322332 0.00330100
|
||
|
|
2 44.203528 -0.02919700
|
||
|
|
3 23.288963 0.21322700
|
||
|
|
4 13.385163 -0.40810900
|
||
|
|
5 7.518052 -0.38565100
|
||
|
|
6 4.101835 0.16809300
|
||
|
|
7 2.253571 3.10252900
|
||
|
|
8 1.134924 -3.36044600
|
||
|
|
9 0.561550 -0.53161900
|
||
|
|
10 0.201961 4.49398100
|
||
|
|
11 0.108698 -3.68975000
|
||
|
|
12 0.053619 -0.51060400
|
||
|
|
13 0.025823 1.30102100
|
||
|
|
S 1
|
||
|
|
1 0.025823 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.012000 1.00000000
|
||
|
|
P 13
|
||
|
|
1 125.092775 0.00005600
|
||
|
|
2 65.211589 -0.00057200
|
||
|
|
3 34.437599 0.00738800
|
||
|
|
4 18.930704 -0.02848100
|
||
|
|
5 10.873415 -0.06300500
|
||
|
|
6 6.012172 0.02485500
|
||
|
|
7 3.372205 0.27747400
|
||
|
|
8 1.768641 0.42538600
|
||
|
|
9 0.914516 0.31414500
|
||
|
|
10 0.460895 0.09042200
|
||
|
|
11 0.204490 0.00697700
|
||
|
|
12 0.074741 0.00115400
|
||
|
|
13 0.035671 0.00030300
|
||
|
|
P 13
|
||
|
|
1 125.092775 0.00002500
|
||
|
|
2 65.211589 -0.00007000
|
||
|
|
3 34.437599 -0.00104200
|
||
|
|
4 18.930704 0.00512700
|
||
|
|
5 10.873415 0.01840400
|
||
|
|
6 6.012172 -0.01469200
|
||
|
|
7 3.372205 -0.06130700
|
||
|
|
8 1.768641 -0.12863800
|
||
|
|
9 0.914516 -0.07063700
|
||
|
|
10 0.460895 -0.01631400
|
||
|
|
11 0.204490 0.38070200
|
||
|
|
12 0.074741 0.52307100
|
||
|
|
13 0.035671 0.23576500
|
||
|
|
P 13
|
||
|
|
1 125.092775 -0.00019700
|
||
|
|
2 65.211589 0.00125100
|
||
|
|
3 34.437599 -0.00915400
|
||
|
|
4 18.930704 0.03820100
|
||
|
|
5 10.873415 0.04309700
|
||
|
|
6 6.012172 -0.02947500
|
||
|
|
7 3.372205 -0.42699600
|
||
|
|
8 1.768641 -0.39484000
|
||
|
|
9 0.914516 0.07723000
|
||
|
|
10 0.460895 1.11988100
|
||
|
|
11 0.204490 -0.06649400
|
||
|
|
12 0.074741 -0.72158300
|
||
|
|
13 0.035671 -0.00569500
|
||
|
|
P 13
|
||
|
|
1 125.092775 0.00026400
|
||
|
|
2 65.211589 -0.00107600
|
||
|
|
3 34.437599 -0.00259100
|
||
|
|
4 18.930704 0.03551900
|
||
|
|
5 10.873415 0.11955400
|
||
|
|
6 6.012172 -0.20471400
|
||
|
|
7 3.372205 -0.76062700
|
||
|
|
8 1.768641 -0.26274000
|
||
|
|
9 0.914516 1.77903000
|
||
|
|
10 0.460895 -0.46274200
|
||
|
|
11 0.204490 -1.24103000
|
||
|
|
12 0.074741 0.94098700
|
||
|
|
13 0.035671 0.08349600
|
||
|
|
P 13
|
||
|
|
1 125.092775 -0.00008400
|
||
|
|
2 65.211589 0.00076800
|
||
|
|
3 34.437599 -0.00948500
|
||
|
|
4 18.930704 0.08806200
|
||
|
|
5 10.873415 0.15619100
|
||
|
|
6 6.012172 -0.61916600
|
||
|
|
7 3.372205 -1.38553400
|
||
|
|
8 1.768641 2.49212500
|
||
|
|
9 0.914516 0.00807600
|
||
|
|
10 0.460895 -2.49951500
|
||
|
|
11 0.204490 2.26557600
|
||
|
|
12 0.074741 -0.74834200
|
||
|
|
13 0.035671 -0.21159800
|
||
|
|
P 1
|
||
|
|
1 0.035671 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.017000 1.00000000
|
||
|
|
D 11
|
||
|
|
1 152.736742 0.00002900
|
||
|
|
2 50.772485 0.00523800
|
||
|
|
3 26.253589 0.02932500
|
||
|
|
4 12.137022 0.07490100
|
||
|
|
5 5.853719 0.16341100
|
||
|
|
6 2.856224 0.25105700
|
||
|
|
7 1.386132 0.28760300
|
||
|
|
8 0.670802 0.25186200
|
||
|
|
9 0.330280 0.18673600
|
||
|
|
10 0.170907 0.09357000
|
||
|
|
11 0.086794 0.07381100
|
||
|
|
D 11
|
||
|
|
1 152.736742 -0.00002600
|
||
|
|
2 50.772485 -0.00632900
|
||
|
|
3 26.253589 -0.03439800
|
||
|
|
4 12.137022 -0.09176500
|
||
|
|
5 5.853719 -0.20159200
|
||
|
|
6 2.856224 -0.28393000
|
||
|
|
7 1.386132 -0.16198100
|
||
|
|
8 0.670802 0.12882200
|
||
|
|
9 0.330280 0.36016000
|
||
|
|
10 0.170907 0.27759200
|
||
|
|
11 0.086794 0.26140300
|
||
|
|
D 11
|
||
|
|
1 152.736742 0.00005100
|
||
|
|
2 50.772485 0.00876900
|
||
|
|
3 26.253589 0.04792100
|
||
|
|
4 12.137022 0.13247500
|
||
|
|
5 5.853719 0.29727900
|
||
|
|
6 2.856224 0.27501800
|
||
|
|
7 1.386132 -0.22284200
|
||
|
|
8 0.670802 -0.61906700
|
||
|
|
9 0.330280 -0.07629000
|
||
|
|
10 0.170907 0.25605600
|
||
|
|
11 0.086794 0.54148200
|
||
|
|
D 11
|
||
|
|
1 152.736742 -0.00009600
|
||
|
|
2 50.772485 -0.01214400
|
||
|
|
3 26.253589 -0.06697100
|
||
|
|
4 12.137022 -0.19602500
|
||
|
|
5 5.853719 -0.46900300
|
||
|
|
6 2.856224 0.04656000
|
||
|
|
7 1.386132 0.98594000
|
||
|
|
8 0.670802 -0.22043500
|
||
|
|
9 0.330280 -0.75248200
|
||
|
|
10 0.170907 -0.11112300
|
||
|
|
11 0.086794 0.75310000
|
||
|
|
D 1
|
||
|
|
1 0.086794 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.040000 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.144926 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.486122 1.00000000
|
||
|
|
F 1
|
||
|
|
1 1.630591 1.00000000
|
||
|
|
F 1
|
||
|
|
1 5.469463 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.307135 1.00000000
|
||
|
|
G 1
|
||
|
|
1 1.093014 1.00000000
|
||
|
|
G 1
|
||
|
|
1 3.889759 1.00000000
|
||
|
|
H 1
|
||
|
|
1 0.886940 1.00000000
|
||
|
|
H 1
|
||
|
|
1 2.480792 1.00000000
|
||
|
|
|
||
|
|
COBALT
|
||
|
|
S 13
|
||
|
|
1 90.663831 0.00077400
|
||
|
|
2 46.961414 -0.01131600
|
||
|
|
3 24.110274 0.10120900
|
||
|
|
4 14.430881 -0.08164200
|
||
|
|
5 8.757423 -0.35481200
|
||
|
|
6 4.484459 -0.09036200
|
||
|
|
7 2.519739 0.49817400
|
||
|
|
8 1.236850 0.60412300
|
||
|
|
9 0.601882 0.19077500
|
||
|
|
10 0.223338 0.00657800
|
||
|
|
11 0.123422 -0.00090500
|
||
|
|
12 0.059941 0.00017100
|
||
|
|
13 0.027978 -0.00002500
|
||
|
|
S 13
|
||
|
|
1 90.663831 -0.00015400
|
||
|
|
2 46.961414 0.00252500
|
||
|
|
3 24.110274 -0.02444300
|
||
|
|
4 14.430881 0.02220000
|
||
|
|
5 8.757423 0.08841600
|
||
|
|
6 4.484459 0.01682000
|
||
|
|
7 2.519739 -0.13458200
|
||
|
|
8 1.236850 -0.23129500
|
||
|
|
9 0.601882 -0.16398600
|
||
|
|
10 0.223338 0.12133700
|
||
|
|
11 0.123422 0.40241400
|
||
|
|
12 0.059941 0.50611300
|
||
|
|
13 0.027978 0.14543600
|
||
|
|
S 13
|
||
|
|
1 90.663831 -0.00004700
|
||
|
|
2 46.961414 0.00365400
|
||
|
|
3 24.110274 -0.04613200
|
||
|
|
4 14.430881 0.03648300
|
||
|
|
5 8.757423 0.21726500
|
||
|
|
6 4.484459 -0.01188300
|
||
|
|
7 2.519739 -0.32468800
|
||
|
|
8 1.236850 -0.68058100
|
||
|
|
9 0.601882 0.25693600
|
||
|
|
10 0.223338 1.22400500
|
||
|
|
11 0.123422 0.23683700
|
||
|
|
12 0.059941 -0.60406400
|
||
|
|
13 0.027978 -0.57494700
|
||
|
|
S 13
|
||
|
|
1 90.663831 -0.00023100
|
||
|
|
2 46.961414 0.00753600
|
||
|
|
3 24.110274 -0.09729800
|
||
|
|
4 14.430881 0.11161100
|
||
|
|
5 8.757423 0.40362100
|
||
|
|
6 4.484459 -0.04832400
|
||
|
|
7 2.519739 -1.15760000
|
||
|
|
8 1.236850 -0.75683900
|
||
|
|
9 0.601882 2.31368300
|
||
|
|
10 0.223338 0.25307400
|
||
|
|
11 0.123422 -1.99146600
|
||
|
|
12 0.059941 0.16694200
|
||
|
|
13 0.027978 0.91722100
|
||
|
|
S 13
|
||
|
|
1 90.663831 0.00280900
|
||
|
|
2 46.961414 -0.02445900
|
||
|
|
3 24.110274 0.21171700
|
||
|
|
4 14.430881 -0.38745200
|
||
|
|
5 8.757423 -0.36690900
|
||
|
|
6 4.484459 0.13914300
|
||
|
|
7 2.519739 2.83452700
|
||
|
|
8 1.236850 -2.90639800
|
||
|
|
9 0.601882 -0.80689600
|
||
|
|
10 0.223338 4.33605500
|
||
|
|
11 0.123422 -2.91360700
|
||
|
|
12 0.059941 -1.25330700
|
||
|
|
13 0.027978 1.50957200
|
||
|
|
S 1
|
||
|
|
1 0.027978 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.013000 1.00000000
|
||
|
|
P 13
|
||
|
|
1 139.038145 0.00007500
|
||
|
|
2 71.928971 -0.00062700
|
||
|
|
3 37.806311 0.00571900
|
||
|
|
4 21.054252 -0.00931000
|
||
|
|
5 12.973193 -0.08385700
|
||
|
|
6 6.791461 0.01239400
|
||
|
|
7 3.794018 0.28198700
|
||
|
|
8 1.960649 0.43417900
|
||
|
|
9 1.006283 0.31340900
|
||
|
|
10 0.509539 0.08977800
|
||
|
|
11 0.233091 0.00740500
|
||
|
|
12 0.083890 0.00098000
|
||
|
|
13 0.039802 0.00027400
|
||
|
|
P 13
|
||
|
|
1 139.038145 0.00002500
|
||
|
|
2 71.928971 -0.00008400
|
||
|
|
3 37.806311 -0.00048500
|
||
|
|
4 21.054252 0.00009500
|
||
|
|
5 12.973193 0.02240200
|
||
|
|
6 6.791461 -0.01153400
|
||
|
|
7 3.794018 -0.05686600
|
||
|
|
8 1.960649 -0.12607000
|
||
|
|
9 1.006283 -0.06088900
|
||
|
|
10 0.509539 -0.03508600
|
||
|
|
11 0.233091 0.35184700
|
||
|
|
12 0.083890 0.51044900
|
||
|
|
13 0.039802 0.28970700
|
||
|
|
P 13
|
||
|
|
1 139.038145 -0.00023800
|
||
|
|
2 71.928971 0.00148900
|
||
|
|
3 37.806311 -0.00872300
|
||
|
|
4 21.054252 0.02453800
|
||
|
|
5 12.973193 0.06085600
|
||
|
|
6 6.791461 -0.02038000
|
||
|
|
7 3.794018 -0.43019500
|
||
|
|
8 1.960649 -0.40769200
|
||
|
|
9 1.006283 0.08532600
|
||
|
|
10 0.509539 1.07332600
|
||
|
|
11 0.233091 0.01506700
|
||
|
|
12 0.083890 -0.71963100
|
||
|
|
13 0.039802 -0.02460300
|
||
|
|
P 13
|
||
|
|
1 139.038145 -0.00005500
|
||
|
|
2 71.928971 -0.00001700
|
||
|
|
3 37.806311 0.00432000
|
||
|
|
4 21.054252 -0.02133900
|
||
|
|
5 12.973193 -0.12713400
|
||
|
|
6 6.791461 0.15720800
|
||
|
|
7 3.794018 0.79492700
|
||
|
|
8 1.960649 0.23357400
|
||
|
|
9 1.006283 -1.66603300
|
||
|
|
10 0.509539 0.28271600
|
||
|
|
11 0.233091 1.33562500
|
||
|
|
12 0.083890 -0.88546900
|
||
|
|
13 0.039802 -0.13034000
|
||
|
|
P 13
|
||
|
|
1 139.038145 0.00005200
|
||
|
|
2 71.928971 0.00014400
|
||
|
|
3 37.806311 -0.00506500
|
||
|
|
4 21.054252 0.05166200
|
||
|
|
5 12.973193 0.20930600
|
||
|
|
6 6.791461 -0.63605200
|
||
|
|
7 3.794018 -1.33476100
|
||
|
|
8 1.960649 2.33740900
|
||
|
|
9 1.006283 0.19062400
|
||
|
|
10 0.509539 -2.65784100
|
||
|
|
11 0.233091 2.26444400
|
||
|
|
12 0.083890 -0.61258400
|
||
|
|
13 0.039802 -0.27662000
|
||
|
|
P 1
|
||
|
|
1 0.039802 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.019000 1.00000000
|
||
|
|
D 11
|
||
|
|
1 160.444504 0.00003400
|
||
|
|
2 52.598830 0.00655300
|
||
|
|
3 27.491581 0.03618500
|
||
|
|
4 12.745988 0.08302600
|
||
|
|
5 6.184310 0.17696000
|
||
|
|
6 3.029146 0.26399000
|
||
|
|
7 1.474099 0.29244700
|
||
|
|
8 0.714391 0.24959700
|
||
|
|
9 0.348520 0.17163700
|
||
|
|
10 0.174166 0.08064900
|
||
|
|
11 0.087891 0.04121200
|
||
|
|
D 11
|
||
|
|
1 160.444504 -0.00003100
|
||
|
|
2 52.598830 -0.00786900
|
||
|
|
3 27.491581 -0.04199200
|
||
|
|
4 12.745988 -0.10138800
|
||
|
|
5 6.184310 -0.21699600
|
||
|
|
6 3.029146 -0.28396200
|
||
|
|
7 1.474099 -0.12717900
|
||
|
|
8 0.714391 0.17712500
|
||
|
|
9 0.348520 0.37559600
|
||
|
|
10 0.174166 0.28463100
|
||
|
|
11 0.087891 0.20027700
|
||
|
|
D 11
|
||
|
|
1 160.444504 0.00004800
|
||
|
|
2 52.598830 0.01053100
|
||
|
|
3 27.491581 0.05555900
|
||
|
|
4 12.745988 0.14075800
|
||
|
|
5 6.184310 0.30578500
|
||
|
|
6 3.029146 0.24281200
|
||
|
|
7 1.474099 -0.28504400
|
||
|
|
8 0.714391 -0.59481900
|
||
|
|
9 0.348520 -0.01793700
|
||
|
|
10 0.174166 0.34815000
|
||
|
|
11 0.087891 0.45517000
|
||
|
|
D 11
|
||
|
|
1 160.444504 -0.00007000
|
||
|
|
2 52.598830 -0.01526900
|
||
|
|
3 27.491581 -0.07877000
|
||
|
|
4 12.745988 -0.21855600
|
||
|
|
5 6.184310 -0.47927100
|
||
|
|
6 3.029146 0.17362300
|
||
|
|
7 1.474099 0.95417300
|
||
|
|
8 0.714391 -0.34849000
|
||
|
|
9 0.348520 -0.73737100
|
||
|
|
10 0.174166 0.07194100
|
||
|
|
11 0.087891 0.64488200
|
||
|
|
D 1
|
||
|
|
1 0.087891 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.043000 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.173088 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.574342 1.00000000
|
||
|
|
F 1
|
||
|
|
1 1.905783 1.00000000
|
||
|
|
F 1
|
||
|
|
1 6.323772 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.375999 1.00000000
|
||
|
|
G 1
|
||
|
|
1 1.312433 1.00000000
|
||
|
|
G 1
|
||
|
|
1 4.581075 1.00000000
|
||
|
|
H 1
|
||
|
|
1 1.061794 1.00000000
|
||
|
|
H 1
|
||
|
|
1 2.901601 1.00000000
|
||
|
|
|
||
|
|
NICKEL
|
||
|
|
S 13
|
||
|
|
1 97.161835 0.00070900
|
||
|
|
2 51.187866 -0.01239900
|
||
|
|
3 26.996725 0.10722000
|
||
|
|
4 15.523536 -0.12455600
|
||
|
|
5 8.916168 -0.35102300
|
||
|
|
6 4.795806 -0.02575800
|
||
|
|
7 2.619926 0.49894800
|
||
|
|
8 1.330111 0.56898600
|
||
|
|
9 0.668901 0.19112100
|
||
|
|
10 0.230439 0.01027800
|
||
|
|
11 0.121518 -0.00362700
|
||
|
|
12 0.057951 0.00129500
|
||
|
|
13 0.027201 -0.00030700
|
||
|
|
S 13
|
||
|
|
1 97.161835 -0.00014000
|
||
|
|
2 51.187866 0.00275600
|
||
|
|
3 26.996725 -0.02548200
|
||
|
|
4 15.523536 0.03218200
|
||
|
|
5 8.916168 0.08622600
|
||
|
|
6 4.795806 0.00110400
|
||
|
|
7 2.619926 -0.13579000
|
||
|
|
8 1.330111 -0.21572400
|
||
|
|
9 0.668901 -0.15836700
|
||
|
|
10 0.230439 0.14349900
|
||
|
|
11 0.121518 0.44367200
|
||
|
|
12 0.057951 0.47255800
|
||
|
|
13 0.027201 0.11017300
|
||
|
|
S 13
|
||
|
|
1 97.161835 0.00012100
|
||
|
|
2 51.187866 0.00332200
|
||
|
|
3 26.996725 -0.04578500
|
||
|
|
4 15.523536 0.05341500
|
||
|
|
5 8.916168 0.22227000
|
||
|
|
6 4.795806 -0.07306500
|
||
|
|
7 2.619926 -0.29399800
|
||
|
|
8 1.330111 -0.66893800
|
||
|
|
9 0.668901 0.29750400
|
||
|
|
10 0.230439 1.23374800
|
||
|
|
11 0.121518 0.12931700
|
||
|
|
12 0.057951 -0.60340700
|
||
|
|
13 0.027201 -0.53306200
|
||
|
|
S 13
|
||
|
|
1 97.161835 0.00043400
|
||
|
|
2 51.187866 0.00484800
|
||
|
|
3 26.996725 -0.08781800
|
||
|
|
4 15.523536 0.12185200
|
||
|
|
5 8.916168 0.45421800
|
||
|
|
6 4.795806 -0.24576500
|
||
|
|
7 2.619926 -0.99734500
|
||
|
|
8 1.330111 -0.83458600
|
||
|
|
9 0.668901 2.28567500
|
||
|
|
10 0.230439 0.25153800
|
||
|
|
11 0.121518 -1.98879600
|
||
|
|
12 0.057951 0.34760200
|
||
|
|
13 0.027201 0.82415000
|
||
|
|
S 13
|
||
|
|
1 97.161835 0.00246100
|
||
|
|
2 51.187866 -0.02346000
|
||
|
|
3 26.996725 0.19859000
|
||
|
|
4 15.523536 -0.40252500
|
||
|
|
5 8.916168 -0.40556800
|
||
|
|
6 4.795806 0.38789300
|
||
|
|
7 2.619926 2.68467900
|
||
|
|
8 1.330111 -2.95595600
|
||
|
|
9 0.668901 -0.66746700
|
||
|
|
10 0.230439 4.09407400
|
||
|
|
11 0.121518 -3.10335500
|
||
|
|
12 0.057951 -0.76872800
|
||
|
|
13 0.027201 1.33121700
|
||
|
|
S 1
|
||
|
|
1 0.027201 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.013000 1.00000000
|
||
|
|
P 13
|
||
|
|
1 148.087630 0.00005500
|
||
|
|
2 77.452187 -0.00054800
|
||
|
|
3 40.915636 0.00697900
|
||
|
|
4 22.575667 -0.02365800
|
||
|
|
5 13.218268 -0.07568200
|
||
|
|
6 7.232093 0.02725300
|
||
|
|
7 4.054870 0.28477800
|
||
|
|
8 2.122089 0.42763200
|
||
|
|
9 1.092769 0.30993700
|
||
|
|
10 0.548240 0.08853500
|
||
|
|
11 0.238886 0.00642700
|
||
|
|
12 0.084667 0.00070800
|
||
|
|
13 0.038921 0.00018600
|
||
|
|
P 13
|
||
|
|
1 148.087630 0.00002700
|
||
|
|
2 77.452187 -0.00008800
|
||
|
|
3 40.915636 -0.00077300
|
||
|
|
4 22.575667 0.00334500
|
||
|
|
5 13.218268 0.01940500
|
||
|
|
6 7.232093 -0.01428800
|
||
|
|
7 4.054870 -0.05452700
|
||
|
|
8 2.122089 -0.11645400
|
||
|
|
9 1.092769 -0.06023600
|
||
|
|
10 0.548240 -0.02392800
|
||
|
|
11 0.238886 0.34786900
|
||
|
|
12 0.084667 0.52262600
|
||
|
|
13 0.038921 0.27647100
|
||
|
|
P 13
|
||
|
|
1 148.087630 -0.00023700
|
||
|
|
2 77.452187 0.00145600
|
||
|
|
3 40.915636 -0.00974500
|
||
|
|
4 22.575667 0.03779900
|
||
|
|
5 13.218268 0.05252100
|
||
|
|
6 7.232093 -0.03500600
|
||
|
|
7 4.054870 -0.45557700
|
||
|
|
8 2.122089 -0.36830600
|
||
|
|
9 1.092769 0.10039200
|
||
|
|
10 0.548240 1.07665200
|
||
|
|
11 0.238886 -0.04532600
|
||
|
|
12 0.084667 -0.70318600
|
||
|
|
13 0.038921 0.00458000
|
||
|
|
P 13
|
||
|
|
1 148.087630 -0.00026000
|
||
|
|
2 77.452187 0.00107100
|
||
|
|
3 40.915636 0.00232200
|
||
|
|
4 22.575667 -0.03214000
|
||
|
|
5 13.218268 -0.13413600
|
||
|
|
6 7.232093 0.22906200
|
||
|
|
7 4.054870 0.75223900
|
||
|
|
8 2.122089 0.20553500
|
||
|
|
9 1.092769 -1.69291000
|
||
|
|
10 0.548240 0.43629500
|
||
|
|
11 0.238886 1.21951400
|
||
|
|
12 0.084667 -0.94551600
|
||
|
|
13 0.038921 -0.06223200
|
||
|
|
P 13
|
||
|
|
1 148.087630 0.00008000
|
||
|
|
2 77.452187 -0.00010100
|
||
|
|
3 40.915636 -0.00649200
|
||
|
|
4 22.575667 0.08312900
|
||
|
|
5 13.218268 0.19539300
|
||
|
|
6 7.232093 -0.76580600
|
||
|
|
7 4.054870 -1.20601700
|
||
|
|
8 2.122089 2.42444400
|
||
|
|
9 1.092769 -0.07938700
|
||
|
|
10 0.548240 -2.32544900
|
||
|
|
11 0.238886 2.12913300
|
||
|
|
12 0.084667 -0.73358500
|
||
|
|
13 0.038921 -0.18044400
|
||
|
|
P 1
|
||
|
|
1 0.038921 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.019000 1.00000000
|
||
|
|
D 11
|
||
|
|
1 177.900125 0.00004900
|
||
|
|
2 57.372112 0.00751900
|
||
|
|
3 29.881432 0.03645500
|
||
|
|
4 13.971757 0.08690100
|
||
|
|
5 6.841152 0.18056800
|
||
|
|
6 3.379983 0.26818700
|
||
|
|
7 1.651827 0.29675600
|
||
|
|
8 0.799251 0.25155800
|
||
|
|
9 0.388057 0.16231900
|
||
|
|
10 0.191191 0.07211900
|
||
|
|
11 0.093358 0.02368900
|
||
|
|
D 11
|
||
|
|
1 177.900125 -0.00005300
|
||
|
|
2 57.372112 -0.00885000
|
||
|
|
3 29.881432 -0.04191600
|
||
|
|
4 13.971757 -0.10469100
|
||
|
|
5 6.841152 -0.21946400
|
||
|
|
6 3.379983 -0.28371200
|
||
|
|
7 1.651827 -0.12212700
|
||
|
|
8 0.799251 0.19012300
|
||
|
|
9 0.388057 0.37659800
|
||
|
|
10 0.191191 0.29512200
|
||
|
|
11 0.093358 0.17825200
|
||
|
|
D 11
|
||
|
|
1 177.900125 0.00007900
|
||
|
|
2 57.372112 0.01144200
|
||
|
|
3 29.881432 0.05397200
|
||
|
|
4 13.971757 0.14106800
|
||
|
|
5 6.841152 0.30229400
|
||
|
|
6 3.379983 0.23655800
|
||
|
|
7 1.651827 -0.29131100
|
||
|
|
8 0.799251 -0.58175800
|
||
|
|
9 0.388057 -0.02406300
|
||
|
|
10 0.191191 0.38938700
|
||
|
|
11 0.093358 0.43083300
|
||
|
|
D 11
|
||
|
|
1 177.900125 -0.00012400
|
||
|
|
2 57.372112 -0.01660200
|
||
|
|
3 29.881432 -0.07753300
|
||
|
|
4 13.971757 -0.22182600
|
||
|
|
5 6.841152 -0.48165800
|
||
|
|
6 3.379983 0.18244700
|
||
|
|
7 1.651827 0.94562600
|
||
|
|
8 0.799251 -0.33424100
|
||
|
|
9 0.388057 -0.76116400
|
||
|
|
10 0.191191 0.13681600
|
||
|
|
11 0.093358 0.60078500
|
||
|
|
D 1
|
||
|
|
1 0.093358 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.045000 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.199600 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.659980 1.00000000
|
||
|
|
F 1
|
||
|
|
1 2.182234 1.00000000
|
||
|
|
F 1
|
||
|
|
1 7.215589 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.453559 1.00000000
|
||
|
|
G 1
|
||
|
|
1 1.549000 1.00000000
|
||
|
|
G 1
|
||
|
|
1 5.290163 1.00000000
|
||
|
|
H 1
|
||
|
|
1 1.243132 1.00000000
|
||
|
|
H 1
|
||
|
|
1 3.361535 1.00000000
|
||
|
|
|
||
|
|
COPPER
|
||
|
|
S 13
|
||
|
|
1 104.471138 0.00074100
|
||
|
|
2 55.955221 -0.01395300
|
||
|
|
3 30.553953 0.10526600
|
||
|
|
4 16.942394 -0.12939900
|
||
|
|
5 9.452707 -0.36273800
|
||
|
|
6 5.174537 0.01326600
|
||
|
|
7 2.779171 0.48928800
|
||
|
|
8 1.441817 0.56208800
|
||
|
|
9 0.710674 0.19004700
|
||
|
|
10 0.241540 0.00563500
|
||
|
|
11 0.129621 -0.00058200
|
||
|
|
12 0.059229 -0.00002400
|
||
|
|
13 0.027110 0.00003000
|
||
|
|
S 13
|
||
|
|
1 104.471138 -0.00013300
|
||
|
|
2 55.955221 0.00299900
|
||
|
|
3 30.553953 -0.02431000
|
||
|
|
4 16.942394 0.03198600
|
||
|
|
5 9.452707 0.08914900
|
||
|
|
6 5.174537 -0.01075000
|
||
|
|
7 2.779171 -0.12822400
|
||
|
|
8 1.441817 -0.21572000
|
||
|
|
9 0.710674 -0.14955900
|
||
|
|
10 0.241540 0.14291700
|
||
|
|
11 0.129621 0.44630700
|
||
|
|
12 0.059229 0.48464300
|
||
|
|
13 0.027110 0.09306900
|
||
|
|
S 13
|
||
|
|
1 104.471138 0.00021000
|
||
|
|
2 55.955221 0.00380600
|
||
|
|
3 30.553953 -0.04731200
|
||
|
|
4 16.942394 0.05995700
|
||
|
|
5 9.452707 0.25064200
|
||
|
|
6 5.174537 -0.11910200
|
||
|
|
7 2.779171 -0.31406900
|
||
|
|
8 1.441817 -0.68930000
|
||
|
|
9 0.710674 0.40305000
|
||
|
|
10 0.241540 1.27044000
|
||
|
|
11 0.129621 -0.02902900
|
||
|
|
12 0.059229 -0.62215700
|
||
|
|
13 0.027110 -0.44207400
|
||
|
|
S 13
|
||
|
|
1 104.471138 0.00036600
|
||
|
|
2 55.955221 0.00672000
|
||
|
|
3 30.553953 -0.09149300
|
||
|
|
4 16.942394 0.14226300
|
||
|
|
5 9.452707 0.47188100
|
||
|
|
6 5.174537 -0.31970800
|
||
|
|
7 2.779171 -1.06825500
|
||
|
|
8 1.441817 -0.61504900
|
||
|
|
9 0.710674 2.26128200
|
||
|
|
10 0.241540 -0.02005900
|
||
|
|
11 0.129621 -1.81574600
|
||
|
|
12 0.059229 0.47417400
|
||
|
|
13 0.027110 0.71359700
|
||
|
|
S 13
|
||
|
|
1 104.471138 0.00267900
|
||
|
|
2 55.955221 -0.02626700
|
||
|
|
3 30.553953 0.19212900
|
||
|
|
4 16.942394 -0.40421800
|
||
|
|
5 9.452707 -0.43460200
|
||
|
|
6 5.174537 0.55567400
|
||
|
|
7 2.779171 2.61821100
|
||
|
|
8 1.441817 -3.20734300
|
||
|
|
9 0.710674 -0.33054500
|
||
|
|
10 0.241540 4.04196600
|
||
|
|
11 0.129621 -3.35549700
|
||
|
|
12 0.059229 -0.48399100
|
||
|
|
13 0.027110 1.21366400
|
||
|
|
S 1
|
||
|
|
1 0.027110 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.013000 1.00000000
|
||
|
|
P 13
|
||
|
|
1 159.152840 0.00002600
|
||
|
|
2 83.322776 -0.00040200
|
||
|
|
3 44.840311 0.00740500
|
||
|
|
4 25.020360 -0.03071400
|
||
|
|
5 13.610016 -0.07434800
|
||
|
|
6 7.761318 0.04343000
|
||
|
|
7 4.303947 0.28970300
|
||
|
|
8 2.290080 0.41346700
|
||
|
|
9 1.202173 0.30376200
|
||
|
|
10 0.607647 0.09349400
|
||
|
|
11 0.257656 0.00666300
|
||
|
|
12 0.090897 0.00056700
|
||
|
|
13 0.041925 0.00017600
|
||
|
|
P 13
|
||
|
|
1 159.152840 0.00003400
|
||
|
|
2 83.322776 -0.00012900
|
||
|
|
3 44.840311 -0.00080200
|
||
|
|
4 25.020360 0.00474700
|
||
|
|
5 13.610016 0.01859500
|
||
|
|
6 7.761318 -0.01769200
|
||
|
|
7 4.303947 -0.05261400
|
||
|
|
8 2.290080 -0.11034900
|
||
|
|
9 1.202173 -0.05470100
|
||
|
|
10 0.607647 -0.02665500
|
||
|
|
11 0.257656 0.33588000
|
||
|
|
12 0.090897 0.50947800
|
||
|
|
13 0.041925 0.30255900
|
||
|
|
P 13
|
||
|
|
1 159.152840 -0.00022800
|
||
|
|
2 83.322776 0.00141400
|
||
|
|
3 44.840311 -0.01029000
|
||
|
|
4 25.020360 0.04389600
|
||
|
|
5 13.610016 0.05286500
|
||
|
|
6 7.761318 -0.05656500
|
||
|
|
7 4.303947 -0.48071500
|
||
|
|
8 2.290080 -0.31598400
|
||
|
|
9 1.202173 0.07567900
|
||
|
|
10 0.607647 1.06074700
|
||
|
|
11 0.257656 -0.00806100
|
||
|
|
12 0.090897 -0.70160100
|
||
|
|
13 0.041925 0.00694100
|
||
|
|
P 13
|
||
|
|
1 159.152840 -0.00041200
|
||
|
|
2 83.322776 0.00195700
|
||
|
|
3 44.840311 0.00064000
|
||
|
|
4 25.020360 -0.03675300
|
||
|
|
5 13.610016 -0.14719300
|
||
|
|
6 7.761318 0.29778200
|
||
|
|
7 4.303947 0.70527100
|
||
|
|
8 2.290080 0.19646600
|
||
|
|
9 1.202173 -1.65940600
|
||
|
|
10 0.607647 0.39150000
|
||
|
|
11 0.257656 1.24328400
|
||
|
|
12 0.090897 -0.95752900
|
||
|
|
13 0.041925 -0.05609100
|
||
|
|
P 13
|
||
|
|
1 159.152840 0.00032900
|
||
|
|
2 83.322776 -0.00156500
|
||
|
|
3 44.840311 -0.00336900
|
||
|
|
4 25.020360 0.08790300
|
||
|
|
5 13.610016 0.22132700
|
||
|
|
6 7.761318 -0.92400600
|
||
|
|
7 4.303947 -1.00731600
|
||
|
|
8 2.290080 2.32431200
|
||
|
|
9 1.202173 0.00119100
|
||
|
|
10 0.607647 -2.32974500
|
||
|
|
11 0.257656 2.05959900
|
||
|
|
12 0.090897 -0.70662000
|
||
|
|
13 0.041925 -0.18479700
|
||
|
|
P 1
|
||
|
|
1 0.041925 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.020000 1.00000000
|
||
|
|
D 11
|
||
|
|
1 226.693527 0.00001500
|
||
|
|
2 73.010278 0.00410800
|
||
|
|
3 38.536518 0.02822300
|
||
|
|
4 18.726700 0.06932300
|
||
|
|
5 9.155485 0.15604500
|
||
|
|
6 4.540884 0.25123800
|
||
|
|
7 2.241175 0.29746300
|
||
|
|
8 1.085869 0.27498100
|
||
|
|
9 0.510612 0.19309800
|
||
|
|
10 0.229608 0.08639300
|
||
|
|
11 0.095781 0.01464500
|
||
|
|
D 11
|
||
|
|
1 226.693527 -0.00001300
|
||
|
|
2 73.010278 -0.00525200
|
||
|
|
3 38.536518 -0.03498200
|
||
|
|
4 18.726700 -0.08895000
|
||
|
|
5 9.155485 -0.20719400
|
||
|
|
6 4.540884 -0.30259700
|
||
|
|
7 2.241175 -0.17932700
|
||
|
|
8 1.085869 0.16906900
|
||
|
|
9 0.510612 0.40590400
|
||
|
|
10 0.229608 0.34187100
|
||
|
|
11 0.095781 0.11708000
|
||
|
|
D 11
|
||
|
|
1 226.693527 0.00001600
|
||
|
|
2 73.010278 0.00615700
|
||
|
|
3 38.536518 0.04036100
|
||
|
|
4 18.726700 0.10603800
|
||
|
|
5 9.155485 0.26329900
|
||
|
|
6 4.540884 0.28849600
|
||
|
|
7 2.241175 -0.18674500
|
||
|
|
8 1.085869 -0.59153900
|
||
|
|
9 0.510612 -0.13868100
|
||
|
|
10 0.229608 0.54774900
|
||
|
|
11 0.095781 0.36235300
|
||
|
|
D 11
|
||
|
|
1 226.693527 -0.00007200
|
||
|
|
2 73.010278 -0.00870300
|
||
|
|
3 38.536518 -0.06059400
|
||
|
|
4 18.726700 -0.16022100
|
||
|
|
5 9.155485 -0.45749500
|
||
|
|
6 4.540884 -0.08760700
|
||
|
|
7 2.241175 0.95305600
|
||
|
|
8 1.085869 0.02518500
|
||
|
|
9 0.510612 -0.98463700
|
||
|
|
10 0.229608 0.25844200
|
||
|
|
11 0.095781 0.52511300
|
||
|
|
D 1
|
||
|
|
1 0.095781 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.045000 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.236517 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.771365 1.00000000
|
||
|
|
F 1
|
||
|
|
1 2.515691 1.00000000
|
||
|
|
F 1
|
||
|
|
1 8.204550 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.527388 1.00000000
|
||
|
|
G 1
|
||
|
|
1 1.798933 1.00000000
|
||
|
|
G 1
|
||
|
|
1 6.136209 1.00000000
|
||
|
|
H 1
|
||
|
|
1 1.443462 1.00000000
|
||
|
|
H 1
|
||
|
|
1 3.867803 1.00000000
|
||
|
|
|
||
|
|
ZINC
|
||
|
|
S 13
|
||
|
|
1 114.485022 0.00042900
|
||
|
|
2 61.996430 -0.01933900
|
||
|
|
3 40.117132 0.08625400
|
||
|
|
4 20.119649 -0.08895500
|
||
|
|
5 10.171676 -0.40267100
|
||
|
|
6 5.601641 0.06730400
|
||
|
|
7 2.864122 0.47921500
|
||
|
|
8 1.592779 0.50396000
|
||
|
|
9 0.826525 0.22208800
|
||
|
|
10 0.263975 0.01220300
|
||
|
|
11 0.145302 -0.00430000
|
||
|
|
12 0.068195 0.00124300
|
||
|
|
13 0.031465 -0.00026700
|
||
|
|
S 13
|
||
|
|
1 114.485022 -0.00010900
|
||
|
|
2 61.996430 0.00445900
|
||
|
|
3 40.117132 -0.02006700
|
||
|
|
4 20.119649 0.02233800
|
||
|
|
5 10.171676 0.09669800
|
||
|
|
6 5.601641 -0.02196600
|
||
|
|
7 2.864122 -0.12876800
|
||
|
|
8 1.592779 -0.18170600
|
||
|
|
9 0.826525 -0.16231100
|
||
|
|
10 0.263975 0.11626400
|
||
|
|
11 0.145302 0.41131400
|
||
|
|
12 0.068195 0.49425700
|
||
|
|
13 0.031465 0.13810300
|
||
|
|
S 13
|
||
|
|
1 114.485022 0.00066600
|
||
|
|
2 61.996430 0.00626900
|
||
|
|
3 40.117132 -0.04660300
|
||
|
|
4 20.119649 0.05039900
|
||
|
|
5 10.171676 0.36349300
|
||
|
|
6 5.601641 -0.24284000
|
||
|
|
7 2.864122 -0.38228100
|
||
|
|
8 1.592779 -0.86156700
|
||
|
|
9 0.826525 0.70607700
|
||
|
|
10 0.263975 1.49500100
|
||
|
|
11 0.145302 -0.45399400
|
||
|
|
12 0.068195 -0.59782200
|
||
|
|
13 0.031465 -0.25611700
|
||
|
|
S 13
|
||
|
|
1 114.485022 0.00070400
|
||
|
|
2 61.996430 0.01284100
|
||
|
|
3 40.117132 -0.08591000
|
||
|
|
4 20.119649 0.11798200
|
||
|
|
5 10.171676 0.63016400
|
||
|
|
6 5.601641 -0.60034400
|
||
|
|
7 2.864122 -1.24906000
|
||
|
|
8 1.592779 -0.32949800
|
||
|
|
9 0.826525 2.59246900
|
||
|
|
10 0.263975 -1.00448100
|
||
|
|
11 0.145302 -1.37951400
|
||
|
|
12 0.068195 1.04684200
|
||
|
|
13 0.031465 0.32467600
|
||
|
|
S 13
|
||
|
|
1 114.485022 0.00561400
|
||
|
|
2 61.996430 -0.06659000
|
||
|
|
3 40.117132 0.24276300
|
||
|
|
4 20.119649 -0.43396800
|
||
|
|
5 10.171676 -0.79971200
|
||
|
|
6 5.601641 1.54215100
|
||
|
|
7 2.864122 3.08029900
|
||
|
|
8 1.592779 -6.19825000
|
||
|
|
9 0.826525 2.58176600
|
||
|
|
10 0.263975 3.21198800
|
||
|
|
11 0.145302 -4.76745700
|
||
|
|
12 0.068195 1.67656100
|
||
|
|
13 0.031465 0.27090900
|
||
|
|
S 1
|
||
|
|
1 0.031465 1.00000000
|
||
|
|
S 1
|
||
|
|
1 0.015000 1.00000000
|
||
|
|
P 13
|
||
|
|
1 158.770986 -0.00015300
|
||
|
|
2 75.802876 0.00189300
|
||
|
|
3 44.547824 0.01046100
|
||
|
|
4 31.445269 -0.04514100
|
||
|
|
5 13.080125 -0.08420100
|
||
|
|
6 7.788616 0.10497300
|
||
|
|
7 4.195040 0.30771400
|
||
|
|
8 2.362276 0.36856300
|
||
|
|
9 1.302584 0.28633600
|
||
|
|
10 0.660704 0.09515600
|
||
|
|
11 0.249042 0.00585100
|
||
|
|
12 0.091781 -0.00003400
|
||
|
|
13 0.048931 0.00025200
|
||
|
|
P 13
|
||
|
|
1 158.770986 0.00005300
|
||
|
|
2 75.802876 -0.00057100
|
||
|
|
3 44.547824 -0.00107300
|
||
|
|
4 31.445269 0.00746300
|
||
|
|
5 13.080125 0.01867600
|
||
|
|
6 7.788616 -0.02809000
|
||
|
|
7 4.195040 -0.05443800
|
||
|
|
8 2.362276 -0.09374400
|
||
|
|
9 1.302584 -0.05416900
|
||
|
|
10 0.660704 -0.00797200
|
||
|
|
11 0.249042 0.35619800
|
||
|
|
12 0.091781 0.41239900
|
||
|
|
13 0.048931 0.36132100
|
||
|
|
P 13
|
||
|
|
1 158.770986 -0.00017000
|
||
|
|
2 75.802876 0.00060400
|
||
|
|
3 44.547824 -0.01998700
|
||
|
|
4 31.445269 0.06115300
|
||
|
|
5 13.080125 0.06731700
|
||
|
|
6 7.788616 -0.13921100
|
||
|
|
7 4.195040 -0.52704100
|
||
|
|
8 2.362276 -0.17619400
|
||
|
|
9 1.302584 0.03712900
|
||
|
|
10 0.660704 1.07932200
|
||
|
|
11 0.249042 -0.05014900
|
||
|
|
12 0.091781 -0.68897100
|
||
|
|
13 0.048931 0.03733100
|
||
|
|
P 13
|
||
|
|
1 158.770986 -0.00078100
|
||
|
|
2 75.802876 0.00785500
|
||
|
|
3 44.547824 -0.00867100
|
||
|
|
4 31.445269 -0.04055300
|
||
|
|
5 13.080125 -0.20006200
|
||
|
|
6 7.788616 0.52859900
|
||
|
|
7 4.195040 0.52855200
|
||
|
|
8 2.362276 0.24357600
|
||
|
|
9 1.302584 -1.80718200
|
||
|
|
10 0.660704 0.62949600
|
||
|
|
11 0.249042 1.13761300
|
||
|
|
12 0.091781 -1.06715000
|
||
|
|
13 0.048931 0.02219000
|
||
|
|
P 13
|
||
|
|
1 158.770986 -0.00030400
|
||
|
|
2 75.802876 0.00006000
|
||
|
|
3 44.547824 -0.03693100
|
||
|
|
4 31.445269 0.14601900
|
||
|
|
5 13.080125 0.22210400
|
||
|
|
6 7.788616 -1.20631000
|
||
|
|
7 4.195040 -0.64408400
|
||
|
|
8 2.362276 2.39813600
|
||
|
|
9 1.302584 -0.30444100
|
||
|
|
10 0.660704 -1.96089400
|
||
|
|
11 0.249042 1.89540000
|
||
|
|
12 0.091781 -0.82157700
|
||
|
|
13 0.048931 -0.13247100
|
||
|
|
P 1
|
||
|
|
1 0.048931 1.00000000
|
||
|
|
P 1
|
||
|
|
1 0.024000 1.00000000
|
||
|
|
D 11
|
||
|
|
1 270.014061 -0.00001600
|
||
|
|
2 100.161579 0.00069600
|
||
|
|
3 43.530609 0.01353600
|
||
|
|
4 21.262419 0.06935000
|
||
|
|
5 10.577821 0.14955900
|
||
|
|
6 5.343620 0.23958800
|
||
|
|
7 2.704857 0.28674400
|
||
|
|
8 1.353018 0.27145900
|
||
|
|
9 0.660873 0.20242600
|
||
|
|
10 0.309149 0.10330700
|
||
|
|
11 0.133879 0.02321100
|
||
|
|
D 11
|
||
|
|
1 270.014061 0.00001300
|
||
|
|
2 100.161579 -0.00088900
|
||
|
|
3 43.530609 -0.01864000
|
||
|
|
4 21.262419 -0.09464600
|
||
|
|
5 10.577821 -0.21565900
|
||
|
|
6 5.343620 -0.32246900
|
||
|
|
7 2.704857 -0.19752900
|
||
|
|
8 1.353018 0.16444800
|
||
|
|
9 0.660873 0.41001700
|
||
|
|
10 0.309149 0.32783800
|
||
|
|
11 0.133879 0.10574900
|
||
|
|
D 11
|
||
|
|
1 270.014061 0.00000700
|
||
|
|
2 100.161579 0.00086800
|
||
|
|
3 43.530609 0.02163100
|
||
|
|
4 21.262419 0.10774800
|
||
|
|
5 10.577821 0.27899700
|
||
|
|
6 5.343620 0.31454300
|
||
|
|
7 2.704857 -0.24192600
|
||
|
|
8 1.353018 -0.60241500
|
||
|
|
9 0.660873 -0.11801300
|
||
|
|
10 0.309149 0.54548200
|
||
|
|
11 0.133879 0.36382900
|
||
|
|
D 11
|
||
|
|
1 270.014061 -0.00008800
|
||
|
|
2 100.161579 -0.00067400
|
||
|
|
3 43.530609 -0.03072600
|
||
|
|
4 21.262419 -0.14321800
|
||
|
|
5 10.577821 -0.44533000
|
||
|
|
6 5.343620 -0.13669300
|
||
|
|
7 2.704857 0.92782300
|
||
|
|
8 1.353018 0.14320400
|
||
|
|
9 0.660873 -1.06020200
|
||
|
|
10 0.309149 0.16045200
|
||
|
|
11 0.133879 0.65854200
|
||
|
|
D 1
|
||
|
|
1 0.133879 1.00000000
|
||
|
|
D 1
|
||
|
|
1 0.060000 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.271994 1.00000000
|
||
|
|
F 1
|
||
|
|
1 0.881237 1.00000000
|
||
|
|
F 1
|
||
|
|
1 2.855136 1.00000000
|
||
|
|
F 1
|
||
|
|
1 9.250405 1.00000000
|
||
|
|
G 1
|
||
|
|
1 0.622986 1.00000000
|
||
|
|
G 1
|
||
|
|
1 2.097503 1.00000000
|
||
|
|
G 1
|
||
|
|
1 7.061991 1.00000000
|
||
|
|
H 1
|
||
|
|
1 1.655939 1.00000000
|
||
|
|
H 1
|
||
|
|
1 4.405055 1.00000000
|
||
|
|
|