mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-16 19:13:50 +01:00
656 lines
25 KiB
Plaintext
656 lines
25 KiB
Plaintext
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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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8 604.1000000 0.348201E-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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14 6.0520000 0.108091E+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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1 0.1088000 1.0000000
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S 1
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1 0.0467200 1.0000000
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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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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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7 3.5710000 -0.643278E-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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P 1
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P 1
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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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1 0.5880000 1.0000000
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D 1
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D 1
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1 0.1800000 1.0000000
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D 1
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1 0.0728000 1.0000000
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F 1
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F 1
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1 0.2580000 1.0000000
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F 1
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1 0.5130000 1.0000000
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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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1 0.5430000 1.0000000
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H 1
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1 0.4460000 1.0000000
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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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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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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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1 0.5330000 1.0000000
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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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F 1
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1 0.1690000 1.0000000
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F 1
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1 0.3410000 1.0000000
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F 1
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1 0.6880000 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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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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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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10 170.8000000 -0.514650E-01
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11 80.2900000 -0.100186E+00
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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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1 0.1945000 1.0000000
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S 1
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1 0.0837600 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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P 8
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1 2010.0000000 -0.511444E-04
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2 476.3000000 -0.448356E-03
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3 154.4000000 -0.242340E-02
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4 58.5100000 -0.969826E-02
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5 24.4000000 -0.290965E-01
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6 10.8000000 -0.641726E-01
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7 4.9130000 -0.945071E-01
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8 2.2690000 -0.934700E-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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D 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
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F 1
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G 1
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G 1
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H 1
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SULFUR
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S 16
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2 820600.0000000 0.147211E-04
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||
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||
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||
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|
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||
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P 8
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CHLORINE
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
|
|
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||
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|
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||
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||
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|
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||
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|
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||
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S 1
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|
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||
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P 8
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||
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||
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||
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H 1
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|
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ARGON
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||
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S 16
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|
||
|
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|
||
|
|
15 7.0220000 0.465534E+00
|
||
|
|
16 3.5110000 0.581564E+00
|
||
|
|
S 16
|
||
|
|
1 7401000.0000000 0.230379E-08
|
||
|
|
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||
|
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||
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||
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||
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|
||
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|
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|
||
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|
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
|
||
|
|
P 8
|
||
|
|
1 2927.0000000 0.188338E-03
|
||
|
|
2 693.5000000 0.164288E-02
|
||
|
|
3 224.7000000 0.894893E-02
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||
|
|
4 85.1700000 0.355111E-01
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||
|
|
5 35.5300000 0.105147E+00
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||
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|
6 15.7300000 0.221552E+00
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||
|
|
7 7.1650000 0.308412E+00
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||
|
|
8 3.3220000 0.232203E+00
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||
|
|
P 8
|
||
|
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|
||
|
|
2 693.5000000 -0.130928E-02
|
||
|
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||
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||
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5 35.5300000 -0.860158E-01
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||
|
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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
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|
|
1 0.6552000 1.0000000
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||
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P 1
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|
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||
|
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P 1
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|
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||
|
|
D 1
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|
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||
|
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D 1
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|
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||
|
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D 1
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|
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|
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|
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D 1
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|
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||
|
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F 1
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|
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F 1
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||
|
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F 1
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|
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G 1
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G 1
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H 1
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