mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-25 13:53:43 +01:00
728 lines
27 KiB
Plaintext
728 lines
27 KiB
Plaintext
ALUMINUM
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S 16
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1 3269000.0000000 0.213962E-05
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2 489400.0000000 0.166264E-04
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3 111400.0000000 0.875168E-04
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4 31560.0000000 0.368990E-03
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5 10320.0000000 0.133903E-02
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6 3731.0000000 0.435636E-02
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7 1456.0000000 0.128955E-01
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8 604.1000000 0.348201E-01
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9 263.5000000 0.843530E-01
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10 119.8000000 0.175907E+00
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11 56.3200000 0.292091E+00
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12 27.1900000 0.328220E+00
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13 13.2600000 0.186927E+00
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14 6.0520000 0.310430E-01
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15 2.9810000 -0.508922E-03
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16 1.4760000 0.148836E-02
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S 16
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1 3269000.0000000 -0.556026E-06
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2 489400.0000000 -0.432303E-05
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3 111400.0000000 -0.227413E-04
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4 31560.0000000 -0.960116E-04
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5 10320.0000000 -0.348376E-03
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6 3731.0000000 -0.113836E-02
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7 1456.0000000 -0.338744E-02
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8 604.1000000 -0.931505E-02
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9 263.5000000 -0.233023E-01
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10 119.8000000 -0.523486E-01
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11 56.3200000 -0.999499E-01
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12 27.1900000 -0.150560E+00
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13 13.2600000 -0.119121E+00
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14 6.0520000 0.108091E+00
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15 2.9810000 0.411129E+00
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S 16
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1 3269000.0000000 0.128423E-06
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2 489400.0000000 0.997514E-06
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3 111400.0000000 0.525480E-05
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4 31560.0000000 0.221450E-04
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5 10320.0000000 0.805464E-04
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6 3731.0000000 0.262506E-03
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7 1456.0000000 0.784220E-03
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8 604.1000000 0.215039E-02
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9 263.5000000 0.541974E-02
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10 119.8000000 0.121686E-01
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11 56.3200000 0.236823E-01
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12 27.1900000 0.360937E-01
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13 13.2600000 0.303284E-01
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14 6.0520000 -0.309034E-01
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15 2.9810000 -0.119126E+00
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16 1.4760000 -0.211145E+00
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S 1
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1 0.7334000 1.0000000
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S 1
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1 0.2447000 1.0000000
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S 1
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S 1
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S 1
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P 8
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1 1461.0000000 0.208613E-03
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2 346.2000000 0.181005E-02
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3 112.2000000 0.973433E-02
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4 42.5100000 0.378266E-01
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5 17.7200000 0.110898E+00
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6 7.8520000 0.234295E+00
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7 3.5710000 0.345245E+00
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8 1.6370000 0.331430E+00
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P 8
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1 1461.0000000 -0.371947E-04
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2 346.2000000 -0.328563E-03
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3 112.2000000 -0.174264E-02
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4 42.5100000 -0.694828E-02
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5 17.7200000 -0.202807E-01
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6 7.8520000 -0.448657E-01
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8 1.6370000 -0.752666E-01
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P 1
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1 0.7382000 1.0000000
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P 1
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1 0.2577000 1.0000000
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P 1
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1 0.0977300 1.0000000
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P 1
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1 0.0369000 1.0000000
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P 1
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1 0.0115000 1.0000000
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D 1
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1 2.6390000 1.0000000
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D 1
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D 1
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D 1
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D 1
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1 0.0728000 1.0000000
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D 1
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F 1
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F 1
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F 1
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F 1
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G 1
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1 0.2520000 1.0000000
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G 1
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G 1
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H 1
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H 1
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SILICON
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S 16
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1 3948000.0000000 0.203712E-05
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2 591100.0000000 0.158394E-04
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3 134500.0000000 0.833590E-04
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4 38120.0000000 0.351361E-03
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5 12460.0000000 0.127660E-02
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6 4504.0000000 0.415191E-02
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7 1758.0000000 0.123030E-01
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8 729.1000000 0.333102E-01
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9 318.0000000 0.809845E-01
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10 144.6000000 0.170290E+00
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11 67.9700000 0.286879E+00
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12 32.8200000 0.330340E+00
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13 16.0300000 0.196602E+00
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14 7.3960000 0.354535E-01
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15 3.6610000 -0.535204E-03
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16 1.8230000 0.161465E-02
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S 16
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1 3948000.0000000 -0.542085E-06
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2 591100.0000000 -0.421677E-05
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3 134500.0000000 -0.221813E-04
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4 38120.0000000 -0.936028E-04
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5 12460.0000000 -0.340116E-03
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6 4504.0000000 -0.111061E-02
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7 1758.0000000 -0.330878E-02
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8 729.1000000 -0.911602E-02
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9 318.0000000 -0.228790E-01
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10 144.6000000 -0.517119E-01
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11 67.9700000 -0.999091E-01
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12 32.8200000 -0.152747E+00
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13 16.0300000 -0.127508E+00
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14 7.3960000 0.946963E-01
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15 3.6610000 0.414036E+00
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16 1.8230000 0.467934E+00
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S 16
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1 3948000.0000000 0.138907E-06
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2 591100.0000000 0.107953E-05
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3 134500.0000000 0.568628E-05
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4 38120.0000000 0.239537E-04
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5 12460.0000000 0.872409E-04
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6 4504.0000000 0.284163E-03
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7 1758.0000000 0.849840E-03
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8 729.1000000 0.233527E-02
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9 318.0000000 0.590466E-02
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10 144.6000000 0.133461E-01
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11 67.9700000 0.262889E-01
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12 32.8200000 0.407426E-01
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13 16.0300000 0.361476E-01
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14 7.3960000 -0.303923E-01
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15 3.6610000 -0.135961E+00
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16 1.8230000 -0.250144E+00
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S 1
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1 0.9147000 1.0000000
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S 1
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1 0.3393000 1.0000000
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S 1
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1 0.1500000 1.0000000
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S 1
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1 0.0643800 1.0000000
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S 1
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1 0.0260000 1.0000000
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P 8
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1 1780.0000000 0.201206E-03
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2 421.8000000 0.174937E-02
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3 136.7000000 0.948141E-02
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4 51.8100000 0.372313E-01
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5 21.6000000 0.110763E+00
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6 9.5630000 0.237933E+00
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7 4.3500000 0.353691E+00
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8 2.0060000 0.328839E+00
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P 8
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1 1780.0000000 -0.427152E-04
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2 421.8000000 -0.377039E-03
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3 136.7000000 -0.202240E-02
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4 51.8100000 -0.812833E-02
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5 21.6000000 -0.242272E-01
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6 9.5630000 -0.543825E-01
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7 4.3500000 -0.799051E-01
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8 2.0060000 -0.888958E-01
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P 1
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1 0.9205000 1.0000000
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P 1
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1 0.3500000 1.0000000
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P 1
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1 0.1381000 1.0000000
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P 1
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1 0.0533800 1.0000000
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P 1
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1 0.0192000 1.0000000
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D 1
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1 3.7380000 1.0000000
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D 1
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1 0.8930000 1.0000000
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D 1
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D 1
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1 0.2580000 1.0000000
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D 1
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1 0.1050000 1.0000000
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D 1
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F 1
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F 1
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F 1
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F 1
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1 0.0735000 1.0000000
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G 1
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1 0.3200000 1.0000000
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G 1
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G 1
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H 1
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1 0.5830000 1.0000000
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H 1
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1 0.3230000 1.0000000
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PHOSPHORUS
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S 16
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1 4666000.0000000 0.196759E-05
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2 698600.0000000 0.152963E-04
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3 159000.0000000 0.804826E-04
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4 45040.0000000 0.339737E-03
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5 14720.0000000 0.123291E-02
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6 5323.0000000 0.401345E-02
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7 2076.0000000 0.119124E-01
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8 861.1000000 0.322511E-01
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9 375.7000000 0.786643E-01
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10 170.8000000 0.166458E+00
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11 80.2900000 0.283039E+00
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12 38.7700000 0.331942E+00
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13 18.9300000 0.203352E+00
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14 8.7960000 0.383183E-01
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15 4.3580000 -0.384720E-03
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16 2.1740000 0.158744E-02
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S 16
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1 4666000.0000000 -0.534153E-06
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2 698600.0000000 -0.415422E-05
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3 159000.0000000 -0.218484E-04
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4 45040.0000000 -0.923272E-04
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5 14720.0000000 -0.335109E-03
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6 5323.0000000 -0.109508E-02
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7 2076.0000000 -0.326798E-02
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8 861.1000000 -0.899951E-02
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9 375.7000000 -0.226528E-01
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12 38.7700000 -0.155075E+00
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13 18.9300000 -0.133818E+00
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14 8.7960000 0.878361E-01
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15 4.3580000 0.422581E+00
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16 2.1740000 0.474899E+00
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S 16
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1 4666000.0000000 0.146776E-06
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2 698600.0000000 0.114064E-05
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3 159000.0000000 0.600568E-05
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4 45040.0000000 0.253427E-04
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5 14720.0000000 0.921606E-04
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6 5323.0000000 0.300563E-03
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7 2076.0000000 0.899884E-03
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8 861.1000000 0.247354E-02
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9 375.7000000 0.626812E-02
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10 170.8000000 0.142598E-01
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11 80.2900000 0.282769E-01
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12 38.7700000 0.445124E-01
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13 18.9300000 0.407217E-01
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14 8.7960000 -0.301908E-01
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15 4.3580000 -0.152894E+00
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16 2.1740000 -0.282411E+00
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S 1
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1 1.0950000 1.0000000
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S 1
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1 0.4400000 1.0000000
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S 1
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S 1
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S 1
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1 0.0335000 1.0000000
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P 8
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1 2010.0000000 0.215915E-03
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2 476.3000000 0.187536E-02
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3 154.4000000 0.101742E-01
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4 58.5100000 0.399856E-01
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5 24.4000000 0.118563E+00
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6 10.8000000 0.251816E+00
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7 4.9130000 0.366565E+00
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8 2.2690000 0.316177E+00
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P 8
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4 58.5100000 -0.969826E-02
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P 1
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P 1
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P 1
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P 1
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P 1
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D 1
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F 1
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G 1
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G 1
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G 1
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H 1
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H 1
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SULFUR
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S 16
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12 45.3400000 0.333145E+00
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13 22.1500000 0.209836E+00
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14 10.3400000 0.415974E-01
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15 5.1190000 -0.450552E-03
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16 2.5530000 0.168855E-02
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S 16
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1 5481000.0000000 -0.522912E-06
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2 820600.0000000 -0.406690E-05
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3 186700.0000000 -0.214065E-04
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S 16
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1 5481000.0000000 0.151823E-06
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2 820600.0000000 0.118008E-05
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3 186700.0000000 0.621699E-05
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4 52880.0000000 0.262405E-04
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5 17250.0000000 0.959040E-04
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S 1
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P 8
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P 8
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7 5.3780000 -0.107782E+00
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8 2.4820000 -0.879769E-01
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P 1
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P 1
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P 1
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P 1
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D 1
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D 1
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F 1
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|
F 1
|
|
1 0.5290000 1.0000000
|
|
F 1
|
|
1 1.0960000 1.0000000
|
|
F 1
|
|
1 0.1188000 1.0000000
|
|
G 1
|
|
1 0.4630000 1.0000000
|
|
G 1
|
|
1 1.0710000 1.0000000
|
|
G 1
|
|
1 0.2200000 1.0000000
|
|
H 1
|
|
1 0.8720000 1.0000000
|
|
H 1
|
|
1 0.4720000 1.0000000
|
|
|
|
CHLORINE
|
|
S 16
|
|
1 6410000.0000000 0.181350E-05
|
|
2 959600.0000000 0.141118E-04
|
|
3 218300.0000000 0.742406E-04
|
|
4 61810.0000000 0.314131E-03
|
|
5 20140.0000000 0.114642E-02
|
|
6 7264.0000000 0.373888E-02
|
|
7 2832.0000000 0.110946E-01
|
|
8 1175.0000000 0.301152E-01
|
|
9 512.6000000 0.739145E-01
|
|
10 233.0000000 0.158258E+00
|
|
11 109.5000000 0.274753E+00
|
|
12 52.8600000 0.334066E+00
|
|
13 25.8400000 0.217589E+00
|
|
14 12.1700000 0.457278E-01
|
|
15 6.0300000 -0.134739E-03
|
|
16 3.0120000 0.163933E-02
|
|
S 16
|
|
1 6410000.0000000 -0.508303E-06
|
|
2 959600.0000000 -0.395633E-05
|
|
3 218300.0000000 -0.208095E-04
|
|
4 61810.0000000 -0.881175E-04
|
|
5 20140.0000000 -0.321742E-03
|
|
6 7264.0000000 -0.105277E-02
|
|
7 2832.0000000 -0.314183E-02
|
|
8 1175.0000000 -0.866363E-02
|
|
9 512.6000000 -0.219353E-01
|
|
10 233.0000000 -0.502584E-01
|
|
11 109.5000000 -0.995414E-01
|
|
12 52.8600000 -0.157647E+00
|
|
13 25.8400000 -0.146024E+00
|
|
14 12.1700000 0.692230E-01
|
|
15 6.0300000 0.430412E+00
|
|
16 3.0120000 0.490802E+00
|
|
S 16
|
|
1 6410000.0000000 0.153808E-06
|
|
2 959600.0000000 0.119654E-05
|
|
3 218300.0000000 0.629828E-05
|
|
4 61810.0000000 0.266450E-04
|
|
5 20140.0000000 0.974162E-04
|
|
6 7264.0000000 0.318360E-03
|
|
7 2832.0000000 0.952377E-03
|
|
8 1175.0000000 0.262430E-02
|
|
9 512.6000000 0.668160E-02
|
|
10 233.0000000 0.153595E-01
|
|
11 109.5000000 0.309432E-01
|
|
12 52.8600000 0.500638E-01
|
|
13 25.8400000 0.489782E-01
|
|
14 12.1700000 -0.260807E-01
|
|
15 6.0300000 -0.178426E+00
|
|
16 3.0120000 -0.332324E+00
|
|
S 1
|
|
1 1.5110000 1.0000000
|
|
S 1
|
|
1 0.6604000 1.0000000
|
|
S 1
|
|
1 0.2926000 1.0000000
|
|
S 1
|
|
1 0.1254000 1.0000000
|
|
S 1
|
|
1 0.0479000 1.0000000
|
|
P 8
|
|
1 2548.0000000 0.235702E-03
|
|
2 603.7000000 0.205158E-02
|
|
3 195.6000000 0.111543E-01
|
|
4 74.1500000 0.439816E-01
|
|
5 30.9400000 0.129994E+00
|
|
6 13.6900000 0.272959E+00
|
|
7 6.2290000 0.383690E+00
|
|
8 2.8780000 0.291870E+00
|
|
P 8
|
|
1 2548.0000000 -0.635410E-04
|
|
2 603.7000000 -0.553259E-03
|
|
3 195.6000000 -0.302795E-02
|
|
4 74.1500000 -0.120650E-01
|
|
5 30.9400000 -0.366348E-01
|
|
6 13.6900000 -0.790764E-01
|
|
7 6.2290000 -0.117422E+00
|
|
8 2.8780000 -0.860943E-01
|
|
P 1
|
|
1 1.2820000 1.0000000
|
|
P 1
|
|
1 0.5641000 1.0000000
|
|
P 1
|
|
1 0.2348000 1.0000000
|
|
P 1
|
|
1 0.0931200 1.0000000
|
|
P 1
|
|
1 0.0348000 1.0000000
|
|
D 1
|
|
1 8.3990000 1.0000000
|
|
D 1
|
|
1 2.0300000 1.0000000
|
|
D 1
|
|
1 1.0970000 1.0000000
|
|
D 1
|
|
1 0.5490000 1.0000000
|
|
D 1
|
|
1 0.2210000 1.0000000
|
|
D 1
|
|
1 0.0836000 1.0000000
|
|
F 1
|
|
1 0.3200000 1.0000000
|
|
F 1
|
|
1 0.6560000 1.0000000
|
|
F 1
|
|
1 1.3450000 1.0000000
|
|
F 1
|
|
1 0.1640000 1.0000000
|
|
G 1
|
|
1 0.5560000 1.0000000
|
|
G 1
|
|
1 1.3020000 1.0000000
|
|
G 1
|
|
1 0.2770000 1.0000000
|
|
H 1
|
|
1 1.0530000 1.0000000
|
|
H 1
|
|
1 0.6070000 1.0000000
|
|
|
|
ARGON
|
|
S 16
|
|
1 7401000.0000000 0.175018E-05
|
|
2 1108000.0000000 0.136147E-04
|
|
3 252100.0000000 0.716297E-04
|
|
4 71380.0000000 0.303035E-03
|
|
5 23260.0000000 0.110610E-02
|
|
6 8390.0000000 0.360679E-02
|
|
7 3271.0000000 0.107134E-01
|
|
8 1357.0000000 0.291074E-01
|
|
9 592.0000000 0.716617E-01
|
|
10 269.1000000 0.154144E+00
|
|
11 126.5000000 0.270423E+00
|
|
12 61.0300000 0.334862E+00
|
|
13 29.8600000 0.224347E+00
|
|
14 14.1700000 0.500081E-01
|
|
15 7.0220000 0.149726E-03
|
|
16 3.5110000 0.210369E-02
|
|
S 16
|
|
1 7401000.0000000 -0.520448E-06
|
|
2 1108000.0000000 -0.404909E-05
|
|
3 252100.0000000 -0.213023E-04
|
|
4 71380.0000000 -0.901686E-04
|
|
5 23260.0000000 -0.329374E-03
|
|
6 8390.0000000 -0.107715E-02
|
|
7 3271.0000000 -0.321892E-02
|
|
8 1357.0000000 -0.887845E-02
|
|
9 592.0000000 -0.225545E-01
|
|
10 269.1000000 -0.518453E-01
|
|
11 126.5000000 -0.103722E+00
|
|
12 61.0300000 -0.166595E+00
|
|
13 29.8600000 -0.160165E+00
|
|
14 14.1700000 0.623654E-01
|
|
15 7.0220000 0.465534E+00
|
|
16 3.5110000 0.581564E+00
|
|
S 16
|
|
1 7401000.0000000 0.230379E-08
|
|
2 1108000.0000000 0.174221E-07
|
|
3 252100.0000000 0.955300E-07
|
|
4 71380.0000000 0.383619E-06
|
|
5 23260.0000000 0.150535E-05
|
|
6 8390.0000000 0.458632E-05
|
|
7 3271.0000000 0.155002E-04
|
|
8 1357.0000000 0.406695E-04
|
|
9 592.0000000 0.131337E-03
|
|
10 269.1000000 0.332685E-03
|
|
11 126.5000000 0.106670E-02
|
|
12 61.0300000 0.257210E-02
|
|
13 29.8600000 0.483584E-02
|
|
14 14.1700000 -0.385728E-02
|
|
15 7.0220000 -0.476125E-01
|
|
16 3.5110000 -0.182957E+00
|
|
S 1
|
|
1 1.7580000 1.0000000
|
|
S 1
|
|
1 0.7841000 1.0000000
|
|
S 1
|
|
1 0.3480000 1.0000000
|
|
S 1
|
|
1 0.1491000 1.0000000
|
|
S 1
|
|
1 0.0538000 1.0000000
|
|
P 8
|
|
1 2927.0000000 0.188338E-03
|
|
2 693.5000000 0.164288E-02
|
|
3 224.7000000 0.894893E-02
|
|
4 85.1700000 0.355111E-01
|
|
5 35.5300000 0.105147E+00
|
|
6 15.7300000 0.221552E+00
|
|
7 7.1650000 0.308412E+00
|
|
8 3.3220000 0.232203E+00
|
|
P 8
|
|
1 2927.0000000 -0.150207E-03
|
|
2 693.5000000 -0.130928E-02
|
|
3 224.7000000 -0.716501E-02
|
|
4 85.1700000 -0.285723E-01
|
|
5 35.5300000 -0.860158E-01
|
|
6 15.7300000 -0.183996E+00
|
|
7 7.1650000 -0.265844E+00
|
|
8 3.3220000 -0.188741E+00
|
|
P 1
|
|
1 1.4780000 1.0000000
|
|
P 1
|
|
1 0.6552000 1.0000000
|
|
P 1
|
|
1 0.2751000 1.0000000
|
|
P 1
|
|
1 0.1097000 1.0000000
|
|
P 1
|
|
1 0.0402000 1.0000000
|
|
D 1
|
|
1 10.5180000 1.0000000
|
|
D 1
|
|
1 2.5160000 1.0000000
|
|
D 1
|
|
1 1.3320000 1.0000000
|
|
D 1
|
|
1 0.6730000 1.0000000
|
|
D 1
|
|
1 0.2700000 1.0000000
|
|
D 1
|
|
1 0.0978000 1.0000000
|
|
F 1
|
|
1 0.4080000 1.0000000
|
|
F 1
|
|
1 0.8250000 1.0000000
|
|
F 1
|
|
1 1.6680000 1.0000000
|
|
F 1
|
|
1 0.2090000 1.0000000
|
|
G 1
|
|
1 0.6650000 1.0000000
|
|
G 1
|
|
1 1.5620000 1.0000000
|
|
G 1
|
|
1 0.3340000 1.0000000
|
|
H 1
|
|
1 1.2640000 1.0000000
|
|
H 1
|
|
1 0.7420000 1.0000000
|
|
|
|
|