mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-14 18:13:51 +01:00
506 lines
20 KiB
Plaintext
506 lines
20 KiB
Plaintext
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ALUMINUM
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S 13
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1 205500.0000000 0.678836E-04
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2 30780.0000000 0.527149E-03
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3 7006.0000000 0.276203E-02
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4 1985.0000000 0.114728E-01
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5 649.1000000 0.398188E-01
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6 235.0000000 0.115040E+00
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7 91.6200000 0.260887E+00
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8 37.6700000 0.396386E+00
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9 15.9100000 0.284597E+00
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10 5.8500000 0.444583E-01
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11 2.5420000 -0.489838E-02
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12 1.0570000 0.261253E-02
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13 0.1455000 0.722068E-03
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S 13
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1 205500.0000000 -0.176377E-04
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2 30780.0000000 -0.137195E-03
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3 7006.0000000 -0.718910E-03
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4 1985.0000000 -0.301146E-02
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5 649.1000000 -0.106014E-01
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6 235.0000000 -0.321345E-01
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7 91.6200000 -0.803156E-01
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8 37.6700000 -0.156794E+00
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9 15.9100000 -0.168376E+00
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10 5.8500000 0.126879E+00
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11 2.5420000 0.561494E+00
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12 1.0570000 0.436613E+00
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13 0.1455000 -0.114563E-01
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S 13
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1 205500.0000000 0.407315E-05
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2 30780.0000000 0.316566E-04
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3 7006.0000000 0.166116E-03
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4 1985.0000000 0.694992E-03
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5 649.1000000 0.245511E-02
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6 235.0000000 0.744598E-02
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7 91.6200000 0.188253E-01
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8 37.6700000 0.372772E-01
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9 15.9100000 0.419496E-01
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10 5.8500000 -0.354375E-01
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11 2.5420000 -0.175132E+00
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12 1.0570000 -0.276203E+00
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13 0.1455000 0.652809E+00
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S 1
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1 0.2931000 1.0000000
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S 1
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1 0.0565000 1.0000000
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S 1
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1 0.0221000 1.0000000
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P 7
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1 444.4000000 0.162786E-02
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2 105.1000000 0.130687E-01
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3 33.4700000 0.612341E-01
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4 12.3300000 0.187870E+00
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5 4.8690000 0.360452E+00
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6 1.9610000 0.408454E+00
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7 0.1888000 0.976514E-02
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P 7
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1 444.4000000 -0.286341E-03
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2 105.1000000 -0.242308E-02
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3 33.4700000 -0.108658E-01
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4 12.3300000 -0.364307E-01
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5 4.8690000 -0.641074E-01
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6 1.9610000 -0.972239E-01
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7 0.1888000 0.503448E+00
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P 1
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1 0.7834000 1.0000000
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P 1
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1 0.0555700 1.0000000
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P 1
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1 0.0146000 1.0000000
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D 1
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1 1.5700000 1.0000000
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D 1
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1 0.3330000 1.0000000
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D 1
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1 0.1110000 1.0000000
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D 1
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1 0.0357000 1.0000000
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F 1
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1 0.2440000 1.0000000
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F 1
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1 0.0858000 1.0000000
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SILICON
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S 13
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1 254900.0000000 0.625101E-04
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2 38190.0000000 0.485553E-03
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3 8690.0000000 0.254516E-02
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4 2462.0000000 0.105866E-01
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5 804.8000000 0.368787E-01
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6 291.3000000 0.107479E+00
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7 113.6000000 0.247936E+00
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8 46.7500000 0.390927E+00
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9 19.8200000 0.302026E+00
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10 7.7080000 0.559236E-01
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11 3.3400000 -0.402406E-02
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12 1.4020000 0.258030E-02
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13 0.2070000 0.607930E-03
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S 13
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1 254900.0000000 -0.166370E-04
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2 38190.0000000 -0.129310E-03
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3 8690.0000000 -0.678828E-03
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4 2462.0000000 -0.284117E-02
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5 804.8000000 -0.100551E-01
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6 291.3000000 -0.305774E-01
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7 113.6000000 -0.777256E-01
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8 46.7500000 -0.154236E+00
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9 19.8200000 -0.180368E+00
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10 7.7080000 0.798218E-01
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11 3.3400000 0.547441E+00
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12 1.4020000 0.480119E+00
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13 0.2070000 -0.106996E-01
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S 13
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1 254900.0000000 0.426257E-05
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2 38190.0000000 0.331062E-04
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3 8690.0000000 0.174015E-03
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4 2462.0000000 0.727574E-03
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5 804.8000000 0.258333E-02
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6 291.3000000 0.786354E-02
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7 113.6000000 0.202155E-01
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8 46.7500000 0.407320E-01
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9 19.8200000 0.499358E-01
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10 7.7080000 -0.249396E-01
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11 3.3400000 -0.190350E+00
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12 1.4020000 -0.318350E+00
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13 0.2070000 0.681180E+00
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S 1
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1 0.4387000 1.0000000
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S 1
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1 0.0794400 1.0000000
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S 1
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1 0.0330000 1.0000000
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P 7
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1 481.5000000 0.192045E-02
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2 113.9000000 0.153552E-01
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3 36.2300000 0.713991E-01
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4 13.3400000 0.213052E+00
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5 5.2520000 0.390354E+00
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6 2.1200000 0.393721E+00
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7 0.2528000 0.395630E-02
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P 7
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1 481.5000000 -0.405220E-03
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2 113.9000000 -0.335896E-02
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3 36.2300000 -0.152860E-01
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4 13.3400000 -0.489218E-01
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5 5.2520000 -0.855008E-01
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6 2.1200000 -0.112137E+00
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7 0.2528000 0.551919E+00
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P 1
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1 0.8561000 1.0000000
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P 1
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1 0.0788900 1.0000000
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P 1
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1 0.0237000 1.0000000
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D 1
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1 2.3030000 1.0000000
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D 1
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1 0.4760000 1.0000000
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D 1
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1 0.1600000 1.0000000
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D 1
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1 0.0551000 1.0000000
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F 1
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1 0.3360000 1.0000000
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F 1
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1 0.1250000 1.0000000
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PHOSPHORUS
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S 13
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1 312400.0000000 0.576960E-04
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2 46800.0000000 0.448296E-03
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3 10650.0000000 0.234939E-02
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4 3018.0000000 0.978265E-02
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5 986.8000000 0.341467E-01
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6 357.4000000 0.100204E+00
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7 139.6000000 0.234372E+00
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8 57.6300000 0.382434E+00
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9 24.6000000 0.318088E+00
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10 10.1200000 0.707788E-01
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11 4.2830000 -0.181799E-02
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12 1.8050000 0.216180E-02
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13 0.2782000 0.432297E-03
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S 13
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1 312400.0000000 -0.156709E-04
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2 46800.0000000 -0.121724E-03
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3 10650.0000000 -0.639672E-03
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4 3018.0000000 -0.267426E-02
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5 986.8000000 -0.949831E-02
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6 357.4000000 -0.289349E-01
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7 139.6000000 -0.745121E-01
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8 57.6300000 -0.149938E+00
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9 24.6000000 -0.189467E+00
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10 10.1200000 0.363270E-01
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11 4.2830000 0.528816E+00
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12 1.8050000 0.519115E+00
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13 0.2782000 -0.925695E-02
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S 13
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1 312400.0000000 0.430631E-05
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2 46800.0000000 0.334194E-04
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3 10650.0000000 0.175885E-03
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4 3018.0000000 0.734340E-03
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5 986.8000000 0.261775E-02
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6 357.4000000 0.797852E-02
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7 139.6000000 0.207940E-01
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8 57.6300000 0.424446E-01
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9 24.6000000 0.563436E-01
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10 10.1200000 -0.127358E-01
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11 4.2830000 -0.196495E+00
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12 1.8050000 -0.353555E+00
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13 0.2782000 0.700912E+00
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S 1
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1 0.6158000 1.0000000
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S 1
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1 0.1055000 1.0000000
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S 1
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1 0.0409000 1.0000000
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P 7
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1 504.9000000 0.233728E-02
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2 119.4000000 0.185410E-01
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3 37.9600000 0.849693E-01
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4 13.9500000 0.244615E+00
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5 5.4570000 0.422766E+00
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6 2.1770000 0.368439E+00
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7 0.2877000 -0.379005E-02
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P 7
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1 504.9000000 -0.555236E-03
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2 119.4000000 -0.445913E-02
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3 37.9600000 -0.206350E-01
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4 13.9500000 -0.617694E-01
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5 5.4570000 -0.108924E+00
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6 2.1770000 -0.105599E+00
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7 0.2877000 0.576981E+00
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P 1
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1 0.8010000 1.0000000
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P 1
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1 0.0971400 1.0000000
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P 1
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1 0.0307000 1.0000000
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D 1
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1 3.1200000 1.0000000
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D 1
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1 0.6480000 1.0000000
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D 1
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1 0.2180000 1.0000000
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D 1
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1 0.0775000 1.0000000
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F 1
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1 0.4520000 1.0000000
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F 1
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1 0.1650000 1.0000000
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SULFUR
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S 13
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1 374100.0000000 0.542140E-04
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2 56050.0000000 0.420855E-03
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3 12760.0000000 0.220698E-02
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4 3615.0000000 0.919258E-02
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5 1183.0000000 0.321123E-01
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6 428.8000000 0.946683E-01
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7 167.8000000 0.223630E+00
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8 69.4700000 0.374393E+00
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9 29.8400000 0.329108E+00
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10 12.7200000 0.847038E-01
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11 5.2440000 0.440851E-03
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12 2.2190000 0.164827E-02
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13 0.3490000 0.301306E-03
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S 13
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1 374100.0000000 -0.149837E-04
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2 56050.0000000 -0.116198E-03
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3 12760.0000000 -0.611583E-03
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4 3615.0000000 -0.255370E-02
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5 1183.0000000 -0.908708E-02
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6 428.8000000 -0.277045E-01
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7 167.8000000 -0.720020E-01
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8 69.4700000 -0.146439E+00
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9 29.8400000 -0.195150E+00
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10 12.7200000 0.819193E-02
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11 5.2440000 0.516601E+00
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12 2.2190000 0.542178E+00
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13 0.3490000 -0.918072E-02
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S 13
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1 374100.0000000 0.435066E-05
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2 56050.0000000 0.337140E-04
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3 12760.0000000 0.177674E-03
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4 3615.0000000 0.741116E-03
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5 1183.0000000 0.264591E-02
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6 428.8000000 0.807487E-02
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7 167.8000000 0.212276E-01
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8 69.4700000 0.438323E-01
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9 29.8400000 0.612716E-01
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10 12.7200000 -0.361510E-02
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11 5.2440000 -0.204510E+00
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12 2.2190000 -0.381871E+00
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13 0.3490000 0.714147E+00
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S 1
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1 0.7767000 1.0000000
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S 1
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1 0.1322000 1.0000000
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S 1
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1 0.0497000 1.0000000
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P 7
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1 574.4000000 0.242264E-02
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2 135.8000000 0.192796E-01
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3 43.1900000 0.885401E-01
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4 15.8700000 0.254654E+00
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5 6.2080000 0.433984E+00
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6 2.4830000 0.354953E+00
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7 0.3229000 -0.502977E-02
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P 7
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1 574.4000000 -0.620102E-03
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2 135.8000000 -0.493882E-02
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3 43.1900000 -0.232647E-01
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4 15.8700000 -0.685195E-01
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5 6.2080000 -0.123896E+00
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6 2.4830000 -0.969499E-01
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7 0.3229000 0.569394E+00
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P 1
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1 0.8688000 1.0000000
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P 1
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1 0.1098000 1.0000000
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P 1
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1 0.0351000 1.0000000
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D 1
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1 3.7560000 1.0000000
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D 1
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1 0.8120000 1.0000000
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D 1
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1 0.2730000 1.0000000
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D 1
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1 0.1010000 1.0000000
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F 1
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1 0.5570000 1.0000000
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F 1
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1 0.2180000 1.0000000
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CHLORINE
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S 13
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1 456100.0000000 0.492970E-04
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2 68330.0000000 0.383029E-03
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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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