mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-22 19:43:32 +01:00
458 lines
18 KiB
Plaintext
458 lines
18 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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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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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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F 1
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1 0.2440000 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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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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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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F 1
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1 0.3360000 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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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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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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F 1
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1 0.4520000 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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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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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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F 1
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1 0.5570000 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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3 15550.0000000 0.200854E-02
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4 4405.0000000 0.838558E-02
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5 1439.0000000 0.294703E-01
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6 520.4000000 0.878325E-01
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7 203.1000000 0.211473E+00
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8 83.9600000 0.365364E+00
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9 36.2000000 0.340884E+00
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10 15.8300000 0.102133E+00
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11 6.3340000 0.311675E-02
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12 2.6940000 0.105751E-02
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13 0.4313000 0.156136E-03
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S 13
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1 456100.0000000 -0.138304E-04
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2 68330.0000000 -0.107279E-03
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3 15550.0000000 -0.565083E-03
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4 4405.0000000 -0.236135E-02
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5 1439.0000000 -0.845886E-02
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6 520.4000000 -0.259638E-01
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7 203.1000000 -0.686362E-01
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8 83.9600000 -0.141874E+00
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9 36.2000000 -0.199319E+00
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10 15.8300000 -0.195662E-01
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11 6.3340000 0.499741E+00
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|
|
12 2.6940000 0.563736E+00
|
||
|
|
13 0.4313000 -0.835091E-02
|
||
|
|
S 13
|
||
|
|
1 456100.0000000 0.418546E-05
|
||
|
|
2 68330.0000000 0.324395E-04
|
||
|
|
3 15550.0000000 0.171105E-03
|
||
|
|
4 4405.0000000 0.714176E-03
|
||
|
|
5 1439.0000000 0.256705E-02
|
||
|
|
6 520.4000000 0.788552E-02
|
||
|
|
7 203.1000000 0.210867E-01
|
||
|
|
8 83.9600000 0.442264E-01
|
||
|
|
9 36.2000000 0.651670E-01
|
||
|
|
10 15.8300000 0.603012E-02
|
||
|
|
11 6.3340000 -0.206495E+00
|
||
|
|
12 2.6940000 -0.405871E+00
|
||
|
|
13 0.4313000 0.725661E+00
|
||
|
|
S 1
|
||
|
|
1 0.9768000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1625000 1.0000000
|
||
|
|
P 7
|
||
|
|
1 663.3000000 0.240448E-02
|
||
|
|
2 156.8000000 0.192148E-01
|
||
|
|
3 49.9800000 0.885097E-01
|
||
|
|
4 18.4200000 0.256020E+00
|
||
|
|
5 7.2400000 0.436927E+00
|
||
|
|
6 2.9220000 0.350334E+00
|
||
|
|
7 0.3818000 -0.458423E-02
|
||
|
|
P 7
|
||
|
|
1 663.3000000 -0.652145E-03
|
||
|
|
2 156.8000000 -0.519445E-02
|
||
|
|
3 49.9800000 -0.246938E-01
|
||
|
|
4 18.4200000 -0.728167E-01
|
||
|
|
5 7.2400000 -0.134030E+00
|
||
|
|
6 2.9220000 -0.947742E-01
|
||
|
|
7 0.3818000 0.564667E+00
|
||
|
|
P 1
|
||
|
|
1 1.0220000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1301000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 4.6100000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.0110000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.3390000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.7060000 1.0000000
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 13
|
||
|
|
1 545000.0000000 0.455828E-04
|
||
|
|
2 81640.0000000 0.354108E-03
|
||
|
|
3 18580.0000000 0.185797E-02
|
||
|
|
4 5261.0000000 0.776851E-02
|
||
|
|
5 1717.0000000 0.274232E-01
|
||
|
|
6 619.9000000 0.823836E-01
|
||
|
|
7 241.6000000 0.201230E+00
|
||
|
|
8 99.7900000 0.356781E+00
|
||
|
|
9 43.1500000 0.349563E+00
|
||
|
|
10 19.1400000 0.118266E+00
|
||
|
|
11 7.4880000 0.560190E-02
|
||
|
|
12 3.2050000 0.483473E-03
|
||
|
|
13 0.5204000 0.292025E-04
|
||
|
|
S 13
|
||
|
|
1 545000.0000000 -0.129551E-04
|
||
|
|
2 81640.0000000 -0.100428E-03
|
||
|
|
3 18580.0000000 -0.529583E-03
|
||
|
|
4 5261.0000000 -0.221396E-02
|
||
|
|
5 1717.0000000 -0.796845E-02
|
||
|
|
6 619.9000000 -0.245803E-01
|
||
|
|
7 241.6000000 -0.657798E-01
|
||
|
|
8 99.7900000 -0.137942E+00
|
||
|
|
9 43.1500000 -0.201630E+00
|
||
|
|
10 19.1400000 -0.412834E-01
|
||
|
|
11 7.4880000 0.484680E+00
|
||
|
|
12 3.2050000 0.579224E+00
|
||
|
|
13 0.5204000 -0.727553E-02
|
||
|
|
S 13
|
||
|
|
1 545000.0000000 0.404990E-05
|
||
|
|
2 81640.0000000 0.313691E-04
|
||
|
|
3 18580.0000000 0.165646E-03
|
||
|
|
4 5261.0000000 0.691662E-03
|
||
|
|
5 1717.0000000 0.249790E-02
|
||
|
|
6 619.9000000 0.771074E-02
|
||
|
|
7 241.6000000 0.208714E-01
|
||
|
|
8 99.7900000 0.443965E-01
|
||
|
|
9 43.1500000 0.680224E-01
|
||
|
|
10 19.1400000 0.141350E-01
|
||
|
|
11 7.4880000 -0.207489E+00
|
||
|
|
12 3.2050000 -0.425045E+00
|
||
|
|
13 0.5204000 0.733627E+00
|
||
|
|
S 1
|
||
|
|
1 1.1960000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1954000 1.0000000
|
||
|
|
P 7
|
||
|
|
1 761.8000000 0.236976E-02
|
||
|
|
2 180.2000000 0.190199E-01
|
||
|
|
3 57.5000000 0.880807E-01
|
||
|
|
4 21.2400000 0.256377E+00
|
||
|
|
5 8.3880000 0.438711E+00
|
||
|
|
6 3.4160000 0.347569E+00
|
||
|
|
7 0.4523000 -0.523882E-02
|
||
|
|
P 7
|
||
|
|
1 761.8000000 -0.667211E-03
|
||
|
|
2 180.2000000 -0.532717E-02
|
||
|
|
3 57.5000000 -0.255494E-01
|
||
|
|
4 21.2400000 -0.757197E-01
|
||
|
|
5 8.3880000 -0.141133E+00
|
||
|
|
6 3.4160000 -0.932768E-01
|
||
|
|
7 0.4523000 0.562450E+00
|
||
|
|
P 1
|
||
|
|
1 1.2060000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1545000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 5.5510000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.2350000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4120000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.8900000 1.0000000
|
||
|
|
|
||
|
|
|