mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-14 18:13:51 +01:00
410 lines
16 KiB
Plaintext
410 lines
16 KiB
Plaintext
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ALUMINUM
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S 11
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1 64150.0000000 0.290250E-03
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2 9617.0000000 0.225064E-02
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3 2189.0000000 0.116459E-01
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4 620.5000000 0.467377E-01
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5 202.7000000 0.146299E+00
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6 73.1500000 0.330283E+00
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7 28.5500000 0.415861E+00
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8 11.7700000 0.189253E+00
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9 3.3000000 0.115889E-01
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10 1.1730000 -0.128385E-02
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11 0.1752000 0.425883E-03
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S 11
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1 64150.0000000 -0.758048E-04
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2 9617.0000000 -0.581791E-03
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3 2189.0000000 -0.308113E-02
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4 620.5000000 -0.123112E-01
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5 202.7000000 -0.419781E-01
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6 73.1500000 -0.103371E+00
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7 28.5500000 -0.196308E+00
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8 11.7700000 -0.830002E-01
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9 3.3000000 0.541040E+00
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10 1.1730000 0.578796E+00
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11 0.1752000 0.288147E-01
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S 11
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1 64150.0000000 0.175078E-04
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2 9617.0000000 0.134208E-03
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3 2189.0000000 0.712442E-03
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4 620.5000000 0.284330E-02
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5 202.7000000 0.976842E-02
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6 73.1500000 0.241850E-01
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7 28.5500000 0.474993E-01
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8 11.7700000 0.203621E-01
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9 3.3000000 -0.158788E+00
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10 1.1730000 -0.311694E+00
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11 0.1752000 0.620147E+00
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S 1
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1 0.0647300 1.0000000
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S 1
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1 0.0231000 1.0000000
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P 7
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1 258.8000000 0.406847E-02
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2 60.8900000 0.306815E-01
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3 19.1400000 0.129149E+00
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4 6.8810000 0.320831E+00
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5 2.5740000 0.453815E+00
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6 0.9572000 0.275066E+00
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7 0.2099000 0.190807E-01
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P 7
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1 258.8000000 -0.748053E-03
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2 60.8900000 -0.545796E-02
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3 19.1400000 -0.245371E-01
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4 6.8810000 -0.582138E-01
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5 2.5740000 -0.983756E-01
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6 0.9572000 -0.260064E-01
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7 0.2099000 0.464020E+00
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P 1
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1 0.0598600 1.0000000
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P 1
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1 0.0153000 1.0000000
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D 1
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1 1.1950000 1.0000000
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D 1
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1 0.1900000 1.0000000
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D 1
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1 0.0552000 1.0000000
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SILICON
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S 11
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1 78860.0000000 0.270443E-03
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2 11820.0000000 0.209717E-02
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3 2692.0000000 0.108506E-01
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4 763.4000000 0.436754E-01
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5 249.6000000 0.137653E+00
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6 90.2800000 0.316644E+00
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7 35.2900000 0.418581E+00
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8 14.5100000 0.210212E+00
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9 4.0530000 0.144952E-01
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10 1.4820000 -0.203590E-02
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11 0.2517000 0.624186E-03
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S 11
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1 78860.0000000 -0.723177E-04
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2 11820.0000000 -0.555116E-03
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3 2692.0000000 -0.293805E-02
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4 763.4000000 -0.117687E-01
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5 249.6000000 -0.402907E-01
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6 90.2800000 -0.100609E+00
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7 35.2900000 -0.196528E+00
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8 14.5100000 -0.102382E+00
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9 4.0530000 0.527190E+00
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10 1.4820000 0.593251E+00
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11 0.2517000 0.332652E-01
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S 11
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1 78860.0000000 0.185113E-04
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2 11820.0000000 0.142236E-03
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3 2692.0000000 0.752185E-03
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4 763.4000000 0.302279E-02
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5 249.6000000 0.103677E-01
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6 90.2800000 0.262563E-01
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7 35.2900000 0.523989E-01
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8 14.5100000 0.290959E-01
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9 4.0530000 -0.178003E+00
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10 1.4820000 -0.346874E+00
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11 0.2517000 0.623020E+00
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S 1
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1 0.0924300 1.0000000
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S 1
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1 0.0332000 1.0000000
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P 7
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1 315.9000000 0.392656E-02
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2 74.4200000 0.298811E-01
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3 23.4800000 0.127212E+00
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4 8.4880000 0.320943E+00
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5 3.2170000 0.455429E+00
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6 1.2290000 0.268563E+00
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7 0.2964000 0.188336E-01
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P 7
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1 315.9000000 -0.858302E-03
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2 74.4200000 -0.630328E-02
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3 23.4800000 -0.288255E-01
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4 8.4880000 -0.694560E-01
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5 3.2170000 -0.119493E+00
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6 1.2290000 -0.199581E-01
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7 0.2964000 0.510268E+00
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P 1
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1 0.0876800 1.0000000
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P 1
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1 0.0250000 1.0000000
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D 1
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1 1.8030000 1.0000000
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D 1
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1 0.2750000 1.0000000
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D 1
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1 0.0840000 1.0000000
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PHOSPHORUS
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S 11
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1 94840.0000000 0.255509E-03
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2 14220.0000000 0.198193E-02
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3 3236.0000000 0.102760E-01
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4 917.1000000 0.414823E-01
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5 299.5000000 0.131984E+00
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6 108.1000000 0.308662E+00
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7 42.1800000 0.420647E+00
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8 17.2800000 0.222878E+00
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9 4.8580000 0.164035E-01
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10 1.8180000 -0.254255E-02
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11 0.3372000 0.748050E-03
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S 11
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1 94840.0000000 -0.696939E-04
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2 14220.0000000 -0.535266E-03
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3 3236.0000000 -0.283709E-02
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4 917.1000000 -0.113983E-01
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5 299.5000000 -0.392929E-01
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6 108.1000000 -0.996364E-01
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7 42.1800000 -0.197983E+00
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8 17.2800000 -0.114860E+00
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9 4.8580000 0.518595E+00
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10 1.8180000 0.601847E+00
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11 0.3372000 0.368612E-01
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S 11
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1 94840.0000000 0.191199E-04
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2 14220.0000000 0.147223E-03
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3 3236.0000000 0.777912E-03
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4 917.1000000 0.314546E-02
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5 299.5000000 0.108200E-01
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6 108.1000000 0.279957E-01
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7 42.1800000 0.563978E-01
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8 17.2800000 0.358190E-01
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9 4.8580000 -0.193387E+00
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10 1.8180000 -0.372097E+00
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11 0.3372000 0.624246E+00
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S 1
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1 0.1232000 1.0000000
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S 1
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1 0.0417000 1.0000000
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P 7
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1 370.5000000 0.395005E-02
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2 87.3300000 0.302492E-01
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3 27.5900000 0.129554E+00
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4 10.0000000 0.327594E+00
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5 3.8250000 0.456992E+00
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6 1.4940000 0.253086E+00
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7 0.3921000 0.168798E-01
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P 7
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1 370.5000000 -0.959832E-03
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2 87.3300000 -0.711177E-02
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3 27.5900000 -0.327122E-01
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4 10.0000000 -0.795784E-01
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5 3.8250000 -0.135016E+00
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6 1.4940000 -0.910585E-02
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7 0.3921000 0.537802E+00
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P 1
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1 0.1186000 1.0000000
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P 1
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1 0.0343000 1.0000000
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D 1
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1 2.5060000 1.0000000
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D 1
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1 0.3740000 1.0000000
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D 1
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1 0.1160000 1.0000000
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SULFUR
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S 11
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1 110800.0000000 0.247635E-03
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2 16610.0000000 0.192026E-02
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3 3781.0000000 0.996192E-02
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4 1071.0000000 0.402975E-01
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5 349.8000000 0.128604E+00
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6 126.3000000 0.303480E+00
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7 49.2600000 0.421432E+00
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8 20.1600000 0.230781E+00
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9 5.7200000 0.178971E-01
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10 2.1820000 -0.297516E-02
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11 0.4327000 0.849522E-03
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S 11
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1 110800.0000000 -0.687039E-04
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2 16610.0000000 -0.527681E-03
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3 3781.0000000 -0.279671E-02
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4 1071.0000000 -0.112651E-01
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5 349.8000000 -0.388834E-01
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6 126.3000000 -0.995025E-01
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7 49.2600000 -0.199740E+00
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8 20.1600000 -0.123360E+00
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9 5.7200000 0.513194E+00
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10 2.1820000 0.607120E+00
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11 0.4327000 0.396753E-01
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S 11
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1 110800.0000000 0.199077E-04
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2 16610.0000000 0.153483E-03
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3 3781.0000000 0.809503E-03
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4 1071.0000000 0.328974E-02
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5 349.8000000 0.112967E-01
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6 126.3000000 0.296385E-01
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7 49.2600000 0.599851E-01
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8 20.1600000 0.413248E-01
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9 5.7200000 -0.207474E+00
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10 2.1820000 -0.392889E+00
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11 0.4327000 0.632840E+00
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S 1
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1 0.1570000 1.0000000
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S 1
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1 0.0507000 1.0000000
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P 7
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1 399.7000000 0.447541E-02
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2 94.1900000 0.341708E-01
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3 29.7500000 0.144250E+00
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4 10.7700000 0.353928E+00
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5 4.1190000 0.459085E+00
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6 1.6250000 0.206383E+00
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7 0.4726000 0.102141E-01
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P 7
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1 399.7000000 -0.116251E-02
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2 94.1900000 -0.865664E-02
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3 29.7500000 -0.390886E-01
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4 10.7700000 -0.934625E-01
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5 4.1190000 -0.147994E+00
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6 1.6250000 0.301904E-01
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7 0.4726000 0.561573E+00
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P 1
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1 0.1407000 1.0000000
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P 1
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1 0.0399000 1.0000000
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D 1
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1 2.9940000 1.0000000
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D 1
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1 0.4810000 1.0000000
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D 1
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1 0.1550000 1.0000000
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CHLORINE
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S 11
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1 127900.0000000 0.241153E-03
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2 19170.0000000 0.187095E-02
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3 4363.0000000 0.970827E-02
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4 1236.0000000 0.393153E-01
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5 403.6000000 0.125932E+00
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6 145.7000000 0.299341E+00
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7 56.8100000 0.421886E+00
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8 23.2300000 0.237201E+00
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9 6.6440000 0.191531E-01
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10 2.5750000 -0.334792E-02
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11 0.5371000 0.929883E-03
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S 11
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1 127900.0000000 -0.678922E-04
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2 19170.0000000 -0.521836E-03
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3 4363.0000000 -0.276513E-02
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4 1236.0000000 -0.111537E-01
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5 403.6000000 -0.385919E-01
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6 145.7000000 -0.994848E-01
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7 56.8100000 -0.201392E+00
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8 23.2300000 -0.130313E+00
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9 6.6440000 0.509443E+00
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10 2.5750000 0.610725E+00
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11 0.5371000 0.421549E-01
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S 11
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1 127900.0000000 0.204986E-04
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2 19170.0000000 0.158298E-03
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3 4363.0000000 0.833639E-03
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4 1236.0000000 0.339880E-02
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5 403.6000000 0.116738E-01
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6 145.7000000 0.309622E-01
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7 56.8100000 0.629533E-01
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8 23.2300000 0.460257E-01
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9 6.6440000 -0.219312E+00
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10 2.5750000 -0.408773E+00
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11 0.5371000 0.638465E+00
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S 1
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1 0.1938000 1.0000000
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S 1
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1 0.0608000 1.0000000
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P 7
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1 417.6000000 0.525982E-02
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2 98.3300000 0.398332E-01
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3 31.0400000 0.164655E+00
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4 11.1900000 0.387322E+00
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5 4.2490000 0.457072E+00
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6 1.6240000 0.151636E+00
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7 0.5322000 0.181615E-02
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P 7
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1 417.6000000 -0.143570E-02
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2 98.3300000 -0.107796E-01
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3 31.0400000 -0.470075E-01
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4 11.1900000 -0.111030E+00
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5 4.2490000 -0.153275E+00
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6 1.6240000 0.894609E-01
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7 0.5322000 0.579444E+00
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P 1
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1 0.1620000 1.0000000
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P 1
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|
|
1 0.0466000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 3.6520000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.6030000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1980000 1.0000000
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 11
|
||
|
|
1 145700.0000000 0.236700E-03
|
||
|
|
2 21840.0000000 0.183523E-02
|
||
|
|
3 4972.0000000 0.952860E-02
|
||
|
|
4 1408.0000000 0.386283E-01
|
||
|
|
5 459.7000000 0.124081E+00
|
||
|
|
6 165.9000000 0.296471E+00
|
||
|
|
7 64.6900000 0.422068E+00
|
||
|
|
8 26.4400000 0.241711E+00
|
||
|
|
9 7.6280000 0.200509E-01
|
||
|
|
10 2.9960000 -0.361000E-02
|
||
|
|
11 0.6504000 0.975607E-03
|
||
|
|
S 11
|
||
|
|
1 145700.0000000 -0.674910E-04
|
||
|
|
2 21840.0000000 -0.518522E-03
|
||
|
|
3 4972.0000000 -0.274825E-02
|
||
|
|
4 1408.0000000 -0.111007E-01
|
||
|
|
5 459.7000000 -0.384820E-01
|
||
|
|
6 165.9000000 -0.997599E-01
|
||
|
|
7 64.6900000 -0.203088E+00
|
||
|
|
8 26.4400000 -0.135608E+00
|
||
|
|
9 7.6280000 0.507195E+00
|
||
|
|
10 2.9960000 0.612898E+00
|
||
|
|
11 0.6504000 0.442968E-01
|
||
|
|
S 11
|
||
|
|
1 145700.0000000 0.210457E-04
|
||
|
|
2 21840.0000000 0.162565E-03
|
||
|
|
3 4972.0000000 0.855463E-03
|
||
|
|
4 1408.0000000 0.349745E-02
|
||
|
|
5 459.7000000 0.120156E-01
|
||
|
|
6 165.9000000 0.321368E-01
|
||
|
|
7 64.6900000 0.655279E-01
|
||
|
|
8 26.4400000 0.499370E-01
|
||
|
|
9 7.6280000 -0.229769E+00
|
||
|
|
10 2.9960000 -0.421006E+00
|
||
|
|
11 0.6504000 0.642331E+00
|
||
|
|
S 1
|
||
|
|
1 0.2337000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0709000 1.0000000
|
||
|
|
P 7
|
||
|
|
1 453.7000000 0.570555E-02
|
||
|
|
2 106.8000000 0.430460E-01
|
||
|
|
3 33.7300000 0.176591E+00
|
||
|
|
4 12.1300000 0.406863E+00
|
||
|
|
5 4.5940000 0.452549E+00
|
||
|
|
6 1.6780000 0.122801E+00
|
||
|
|
7 0.5909000 -0.445996E-02
|
||
|
|
P 7
|
||
|
|
1 453.7000000 -0.160655E-02
|
||
|
|
2 106.8000000 -0.121714E-01
|
||
|
|
3 33.7300000 -0.520789E-01
|
||
|
|
4 12.1300000 -0.123737E+00
|
||
|
|
5 4.5940000 -0.151619E+00
|
||
|
|
6 1.6780000 0.142425E+00
|
||
|
|
7 0.5909000 0.584501E+00
|
||
|
|
P 1
|
||
|
|
1 0.1852000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0533000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 4.3900000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.7390000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2380000 1.0000000
|
||
|
|
|
||
|
|
|