mirror of
https://github.com/pfloos/quack
synced 2024-11-05 13:43:51 +01:00
492 lines
18 KiB
Plaintext
492 lines
18 KiB
Plaintext
ALUMINUM
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S 13
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1 205500.0000000 6.7883600E-05
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2 30780.0000000 5.2714900E-04
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3 7006.0000000 2.7620300E-03
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4 1985.0000000 1.1472800E-02
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6 235.0000000 1.1504000E-01
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7 91.6200000 2.6088700E-01
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8 37.6700000 3.9638600E-01
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9 15.9100000 2.8459700E-01
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10 5.8500000 4.4458300E-02
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11 2.5420000 -4.8983800E-03
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12 1.0570000 2.6125300E-03
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13 0.1455000 7.2206800E-04
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S 13
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2 30780.0000000 -1.3719500E-04
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4 1985.0000000 -3.0114600E-03
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5 649.1000000 -1.0601400E-02
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6 235.0000000 -3.2134500E-02
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7 91.6200000 -8.0315600E-02
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8 37.6700000 -1.5679400E-01
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9 15.9100000 -1.6837600E-01
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10 5.8500000 1.2687900E-01
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11 2.5420000 5.6149400E-01
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12 1.0570000 4.3661300E-01
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13 0.1455000 -1.1456300E-02
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S 13
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1 205500.0000000 4.0731500E-06
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2 30780.0000000 3.1656600E-05
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3 7006.0000000 1.6611600E-04
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4 1985.0000000 6.9499200E-04
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5 649.1000000 2.4551100E-03
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6 235.0000000 7.4459800E-03
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7 91.6200000 1.8825300E-02
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8 37.6700000 3.7277200E-02
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9 15.9100000 4.1949600E-02
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10 5.8500000 -3.5437500E-02
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11 2.5420000 -1.7513200E-01
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12 1.0570000 -2.7620300E-01
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13 0.1455000 6.5280900E-01
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S 1
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S 1
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S 1
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S 1
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S 1
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P 7
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4 12.3300000 1.8787000E-01
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5 4.8690000 3.6045200E-01
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P 7
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2 105.1000000 -2.4230800E-03
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3 33.4700000 -1.0865800E-02
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4 12.3300000 -3.6430700E-02
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5 4.8690000 -6.4107400E-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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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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SILICON
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S 13
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1 254900.0000000 6.2510100E-05
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2 38190.0000000 4.8555300E-04
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3 8690.0000000 2.5451600E-03
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4 2462.0000000 1.0586600E-02
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5 804.8000000 3.6878700E-02
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8 46.7500000 3.9092700E-01
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9 19.8200000 3.0202600E-01
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10 7.7080000 5.5923600E-02
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11 3.3400000 -4.0240600E-03
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12 1.4020000 2.5803000E-03
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13 0.2070000 6.0793000E-04
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S 13
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1 254900.0000000 -1.6637000E-05
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2 38190.0000000 -1.2931000E-04
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3 8690.0000000 -6.7882800E-04
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4 2462.0000000 -2.8411700E-03
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5 804.8000000 -1.0055100E-02
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6 291.3000000 -3.0577400E-02
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8 46.7500000 -1.5423600E-01
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9 19.8200000 -1.8036800E-01
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10 7.7080000 7.9821800E-02
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11 3.3400000 5.4744100E-01
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12 1.4020000 4.8011900E-01
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13 0.2070000 -1.0699600E-02
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S 13
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1 254900.0000000 4.2625700E-06
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2 38190.0000000 3.3106200E-05
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3 8690.0000000 1.7401500E-04
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4 2462.0000000 7.2757400E-04
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5 804.8000000 2.5833300E-03
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6 291.3000000 7.8635400E-03
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7 113.6000000 2.0215500E-02
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8 46.7500000 4.0732000E-02
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9 19.8200000 4.9935800E-02
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10 7.7080000 -2.4939600E-02
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11 3.3400000 -1.9035000E-01
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12 1.4020000 -3.1835000E-01
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13 0.2070000 6.8118000E-01
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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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S 1
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1 9.1640000 1.0000000
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S 1
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1 1.6210000 1.0000000
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P 7
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1 481.5000000 1.9204500E-03
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2 113.9000000 1.5355200E-02
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3 36.2300000 7.1399100E-02
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4 13.3400000 2.1305200E-01
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5 5.2520000 3.9035400E-01
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6 2.1200000 3.9372100E-01
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7 0.2528000 3.9563000E-03
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P 7
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1 481.5000000 -4.0522000E-04
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2 113.9000000 -3.3589600E-03
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3 36.2300000 -1.5286000E-02
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4 13.3400000 -4.8921800E-02
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5 5.2520000 -8.5500800E-02
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6 2.1200000 -1.1213700E-01
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7 0.2528000 5.5191900E-01
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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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P 1
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1 6.4580000 1.0000000
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P 1
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1 2.5170000 1.0000000
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D 1
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1 2.2510000 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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D 1
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F 1
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F 1
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F 1
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PHOSPHORUS
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S 13
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1 312400.0000000 5.7696000E-05
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3 10650.0000000 2.3493900E-03
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4 3018.0000000 9.7826500E-03
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5 986.8000000 3.4146700E-02
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6 357.4000000 1.0020400E-01
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7 139.6000000 2.3437200E-01
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8 57.6300000 3.8243400E-01
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9 24.6000000 3.1808800E-01
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10 10.1200000 7.0778800E-02
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11 4.2830000 -1.8179900E-03
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12 1.8050000 2.1618000E-03
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13 0.2782000 4.3229700E-04
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S 13
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1 312400.0000000 -1.5670900E-05
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10 10.1200000 3.6327000E-02
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11 4.2830000 5.2881600E-01
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12 1.8050000 5.1911500E-01
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13 0.2782000 -9.2569500E-03
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S 13
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1 312400.0000000 4.3063100E-06
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2 46800.0000000 3.3419400E-05
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3 10650.0000000 1.7588500E-04
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4 3018.0000000 7.3434000E-04
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5 986.8000000 2.6177500E-03
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6 357.4000000 7.9785200E-03
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7 139.6000000 2.0794000E-02
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8 57.6300000 4.2444600E-02
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9 24.6000000 5.6343600E-02
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10 10.1200000 -1.2735800E-02
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11 4.2830000 -1.9649500E-01
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12 1.8050000 -3.5355500E-01
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13 0.2782000 7.0091200E-01
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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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S 1
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1 10.9780000 1.0000000
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S 1
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1 2.0060000 1.0000000
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P 7
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1 504.9000000 2.3372800E-03
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4 13.9500000 2.4461500E-01
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5 5.4570000 4.2276600E-01
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P 7
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4 13.9500000 -6.1769400E-02
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5 5.4570000 -1.0892400E-01
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6 2.1770000 -1.0559900E-01
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7 0.2877000 5.7698100E-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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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
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SULFUR
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S 13
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10 12.7200000 8.4703800E-02
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11 5.2440000 4.4085100E-04
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S 13
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S 13
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13 0.3490000 7.1414700E-01
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S 1
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S 1
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S 1
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S 1
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S 1
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P 7
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4 15.8700000 2.5465400E-01
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5 6.2080000 4.3398400E-01
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6 2.4830000 3.5495300E-01
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P 7
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4 15.8700000 -6.8519500E-02
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5 6.2080000 -1.2389600E-01
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6 2.4830000 -9.6949900E-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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CHLORINE
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S 13
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S 13
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S 13
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S 1
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S 1
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S 1
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S 1
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S 1
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P 7
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2 156.8000000 1.9214800E-02
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4 18.4200000 2.5602000E-01
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P 7
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|
|
6 2.9220000 -9.4774200E-02
|
|
7 0.3818000 5.6466700E-01
|
|
P 1
|
|
1 1.0220000 1.0000000
|
|
P 1
|
|
1 0.1301000 1.0000000
|
|
P 1
|
|
1 0.0419000 1.0000000
|
|
P 1
|
|
1 9.4800000 1.0000000
|
|
P 1
|
|
1 3.6680000 1.0000000
|
|
D 1
|
|
1 3.8460000 1.0000000
|
|
D 1
|
|
1 1.0110000 1.0000000
|
|
D 1
|
|
1 0.3390000 1.0000000
|
|
D 1
|
|
1 0.1300000 1.0000000
|
|
D 1
|
|
1 28.0950000 1.0000000
|
|
D 1
|
|
1 10.3950000 1.0000000
|
|
F 1
|
|
1 0.7060000 1.0000000
|
|
F 1
|
|
1 0.3120000 1.0000000
|
|
F 1
|
|
1 11.7790000 1.0000000
|
|
|
|
|