mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-25 05:43:43 +01:00
530 lines
21 KiB
Plaintext
530 lines
21 KiB
Plaintext
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ALUMINUM
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S 13
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1 419600.0000000 0.278219E-04
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2 62830.0000000 0.216330E-03
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3 14290.0000000 0.113754E-02
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4 4038.0000000 0.479635E-02
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5 1312.0000000 0.172389E-01
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6 470.5000000 0.538066E-01
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7 181.8000000 0.141326E+00
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8 74.4600000 0.289268E+00
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9 31.9000000 0.384825E+00
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10 13.9600000 0.232852E+00
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11 5.1800000 0.293330E-01
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12 2.2650000 -0.300574E-02
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13 0.9664000 0.166673E-02
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S 13
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1 419600.0000000 -0.723754E-05
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2 62830.0000000 -0.561733E-04
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3 14290.0000000 -0.296528E-03
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4 4038.0000000 -0.124913E-02
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5 1312.0000000 -0.455101E-02
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6 470.5000000 -0.144393E-01
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7 181.8000000 -0.403464E-01
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8 74.4600000 -0.922618E-01
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9 31.9000000 -0.164510E+00
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10 13.9600000 -0.141296E+00
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11 5.1800000 0.195365E+00
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12 2.2650000 0.572475E+00
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13 0.9664000 0.374041E+00
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S 13
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1 419600.0000000 0.167150E-05
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2 62830.0000000 0.129641E-04
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3 14290.0000000 0.685101E-04
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4 4038.0000000 0.288274E-03
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5 1312.0000000 0.105276E-02
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6 470.5000000 0.333878E-02
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7 181.8000000 0.939217E-02
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8 74.4600000 0.216047E-01
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9 31.9000000 0.395873E-01
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10 13.9600000 0.349180E-01
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11 5.1800000 -0.528415E-01
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12 2.2650000 -0.191878E+00
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13 0.9664000 -0.254115E+00
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S 1
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1 0.2447000 1.0000000
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S 1
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1 0.1184000 1.0000000
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S 1
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1 0.0502100 1.0000000
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P 8
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1 891.3000000 0.491755E-03
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2 211.3000000 0.415843E-02
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3 68.2800000 0.212538E-01
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4 25.7000000 0.764058E-01
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5 10.6300000 0.194277E+00
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6 4.6020000 0.334428E+00
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7 2.0150000 0.375026E+00
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8 0.8706000 0.204041E+00
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P 8
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1 891.3000000 -0.888695E-04
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2 211.3000000 -0.745823E-03
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3 68.2800000 -0.387025E-02
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4 25.7000000 -0.139350E-01
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5 10.6300000 -0.366860E-01
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6 4.6020000 -0.627797E-01
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7 2.0150000 -0.789602E-01
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8 0.8706000 -0.288589E-01
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P 1
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1 0.2972000 1.0000000
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P 1
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1 0.1100000 1.0000000
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P 1
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1 0.0398900 1.0000000
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D 1
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1 1.9700000 1.0000000
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D 1
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1 0.4370000 1.0000000
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D 1
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1 0.1950000 1.0000000
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D 1
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1 0.0800000 1.0000000
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F 1
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1 0.1540000 1.0000000
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F 1
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1 0.4010000 1.0000000
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G 1
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1 0.3570000 1.0000000
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SILICON
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S 13
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1 513000.0000000 0.260920E-04
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2 76820.0000000 0.202905E-03
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3 17470.0000000 0.106715E-02
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4 4935.0000000 0.450597E-02
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5 1602.0000000 0.162359E-01
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6 574.1000000 0.508913E-01
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7 221.5000000 0.135155E+00
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8 90.5400000 0.281292E+00
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9 38.7400000 0.385336E+00
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10 16.9500000 0.245651E+00
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11 6.4520000 0.343145E-01
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12 2.8740000 -0.334884E-02
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13 1.2500000 0.187625E-02
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S 13
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1 513000.0000000 -0.694880E-05
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2 76820.0000000 -0.539641E-04
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3 17470.0000000 -0.284716E-03
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4 4935.0000000 -0.120203E-02
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5 1602.0000000 -0.438397E-02
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6 574.1000000 -0.139776E-01
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7 221.5000000 -0.393516E-01
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8 90.5400000 -0.914283E-01
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9 38.7400000 -0.165609E+00
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10 16.9500000 -0.152505E+00
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11 6.4520000 0.168524E+00
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12 2.8740000 0.569284E+00
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13 1.2500000 0.398056E+00
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S 13
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1 513000.0000000 0.178068E-05
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2 76820.0000000 0.138148E-04
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3 17470.0000000 0.730005E-04
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4 4935.0000000 0.307666E-03
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5 1602.0000000 0.112563E-02
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6 574.1000000 0.358435E-02
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7 221.5000000 0.101728E-01
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8 90.5400000 0.237520E-01
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9 38.7400000 0.443483E-01
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10 16.9500000 0.419041E-01
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11 6.4520000 -0.502504E-01
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12 2.8740000 -0.216578E+00
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13 1.2500000 -0.286448E+00
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S 1
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1 0.3599000 1.0000000
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S 1
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1 0.1699000 1.0000000
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S 1
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1 0.0706600 1.0000000
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P 8
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1 1122.0000000 0.448143E-03
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2 266.0000000 0.381639E-02
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3 85.9200000 0.198105E-01
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4 32.3300000 0.727017E-01
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5 13.3700000 0.189839E+00
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6 5.8000000 0.335672E+00
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7 2.5590000 0.379365E+00
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8 1.1240000 0.201193E+00
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P 8
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1 1122.0000000 -0.964883E-04
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2 266.0000000 -0.811971E-03
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3 85.9200000 -0.430087E-02
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4 32.3300000 -0.157502E-01
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5 13.3700000 -0.429541E-01
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6 5.8000000 -0.752574E-01
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7 2.5590000 -0.971446E-01
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8 1.1240000 -0.227507E-01
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P 1
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1 0.3988000 1.0000000
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P 1
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1 0.1533000 1.0000000
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P 1
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1 0.0572800 1.0000000
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D 1
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1 2.6450000 1.0000000
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D 1
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1 0.6080000 1.0000000
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D 1
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1 0.2720000 1.0000000
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D 1
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1 0.1130000 1.0000000
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F 1
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1 0.2120000 1.0000000
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F 1
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1 0.5410000 1.0000000
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G 1
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1 0.4610000 1.0000000
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PHOSPHORUS
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S 13
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1 615200.0000000 0.247450E-04
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2 92120.0000000 0.192465E-03
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3 20950.0000000 0.101202E-02
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4 5920.0000000 0.427261E-02
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5 1922.0000000 0.154161E-01
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6 688.0000000 0.485976E-01
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7 265.0000000 0.130060E+00
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8 108.2000000 0.274514E+00
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9 46.2200000 0.385402E+00
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10 20.2300000 0.255934E+00
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11 7.8590000 0.391237E-01
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12 3.5470000 -0.368010E-02
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13 1.5640000 0.208211E-02
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S 13
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1 615200.0000000 -0.672205E-05
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2 92120.0000000 -0.522311E-04
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3 20950.0000000 -0.275361E-03
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4 5920.0000000 -0.116307E-02
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5 1922.0000000 -0.424281E-02
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6 688.0000000 -0.136114E-01
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7 265.0000000 -0.385114E-01
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8 108.2000000 -0.906643E-01
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9 46.2200000 -0.166584E+00
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10 20.2300000 -0.161447E+00
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11 7.8590000 0.146781E+00
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12 3.5470000 0.566682E+00
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13 1.5640000 0.416433E+00
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S 13
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1 615200.0000000 0.184740E-05
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2 92120.0000000 0.143380E-04
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3 20950.0000000 0.757228E-04
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4 5920.0000000 0.319205E-03
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5 1922.0000000 0.116851E-02
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6 688.0000000 0.374267E-02
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7 265.0000000 0.106817E-01
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8 108.2000000 0.252657E-01
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9 46.2200000 0.479283E-01
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10 20.2300000 0.477096E-01
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11 7.8590000 -0.466525E-01
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12 3.5470000 -0.234968E+00
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13 1.5640000 -0.311337E+00
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S 1
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1 0.4888000 1.0000000
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S 1
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1 0.2266000 1.0000000
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S 1
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1 0.0933100 1.0000000
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P 8
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1 1367.0000000 0.421015E-03
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2 324.0000000 0.360985E-02
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3 104.6000000 0.189217E-01
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4 39.3700000 0.705560E-01
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5 16.2600000 0.188157E+00
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6 7.0560000 0.338709E+00
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7 3.1300000 0.381943E+00
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8 1.3940000 0.195261E+00
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P 8
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1 1367.0000000 -0.100827E-03
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2 324.0000000 -0.854499E-03
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3 104.6000000 -0.457116E-02
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4 39.3700000 -0.170327E-01
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5 16.2600000 -0.475204E-01
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6 7.0560000 -0.852786E-01
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7 3.1300000 -0.109676E+00
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8 1.3940000 -0.161181E-01
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P 1
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1 0.5179000 1.0000000
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P 1
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1 0.2032000 1.0000000
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P 1
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1 0.0769800 1.0000000
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D 1
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1 3.3430000 1.0000000
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D 1
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D 1
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D 1
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1 0.1540000 1.0000000
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F 1
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1 0.2800000 1.0000000
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F 1
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1 0.7030000 1.0000000
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G 1
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1 0.5970000 1.0000000
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SULFUR
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S 13
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1 727800.0000000 0.236025E-04
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2 109000.0000000 0.183482E-03
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5 2278.0000000 0.146973E-01
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6 814.7000000 0.465081E-01
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7 313.4000000 0.125508E+00
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8 127.7000000 0.268433E+00
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9 54.4800000 0.384809E+00
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10 23.8500000 0.265372E+00
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11 9.4280000 0.437326E-01
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12 4.2900000 -0.378807E-02
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13 1.9090000 0.218083E-02
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S 13
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1 727800.0000000 -0.652179E-05
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2 109000.0000000 -0.506631E-04
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6 814.7000000 -0.132454E-01
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10 23.8500000 -0.169354E+00
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11 9.4280000 0.127824E+00
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13 1.9090000 0.431767E+00
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S 13
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1 727800.0000000 0.189406E-05
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2 109000.0000000 0.146948E-04
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11 9.4280000 -0.425518E-01
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S 1
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S 1
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1 0.2873000 1.0000000
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S 1
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1 0.1172000 1.0000000
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P 8
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1 1546.0000000 0.441183E-03
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2 366.4000000 0.377571E-02
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3 118.4000000 0.198360E-01
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4 44.5300000 0.742063E-01
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5 18.3800000 0.197327E+00
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6 7.9650000 0.351851E+00
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7 3.5410000 0.378687E+00
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P 8
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1 1546.0000000 -0.113110E-03
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2 366.4000000 -0.958581E-03
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3 118.4000000 -0.513471E-02
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4 44.5300000 -0.192641E-01
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5 18.3800000 -0.535980E-01
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6 7.9650000 -0.960333E-01
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7 3.5410000 -0.118183E+00
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P 1
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P 1
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P 1
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1 0.0901400 1.0000000
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D 1
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1 4.1590000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.0190000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4640000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1940000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3350000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.8690000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.6830000 1.0000000
|
||
|
|
|
||
|
|
CHLORINE
|
||
|
|
S 13
|
||
|
|
1 834900.0000000 0.231688E-04
|
||
|
|
2 125000.0000000 0.180154E-03
|
||
|
|
3 28430.0000000 0.947782E-03
|
||
|
|
4 8033.0000000 0.400139E-02
|
||
|
|
5 2608.0000000 0.144629E-01
|
||
|
|
6 933.9000000 0.456586E-01
|
||
|
|
7 360.0000000 0.123248E+00
|
||
|
|
8 147.0000000 0.264369E+00
|
||
|
|
9 62.8800000 0.382989E+00
|
||
|
|
10 27.6000000 0.270934E+00
|
||
|
|
11 11.0800000 0.471404E-01
|
||
|
|
12 5.0750000 -0.371766E-02
|
||
|
|
13 2.2780000 0.219158E-02
|
||
|
|
S 13
|
||
|
|
1 834900.0000000 -0.649649E-05
|
||
|
|
2 125000.0000000 -0.504895E-04
|
||
|
|
3 28430.0000000 -0.266113E-03
|
||
|
|
4 8033.0000000 -0.112499E-02
|
||
|
|
5 2608.0000000 -0.410497E-02
|
||
|
|
6 933.9000000 -0.131987E-01
|
||
|
|
7 360.0000000 -0.375342E-01
|
||
|
|
8 147.0000000 -0.897233E-01
|
||
|
|
9 62.8800000 -0.167671E+00
|
||
|
|
10 27.6000000 -0.174763E+00
|
||
|
|
11 11.0800000 0.114909E+00
|
||
|
|
12 5.0750000 0.563618E+00
|
||
|
|
13 2.2780000 0.441606E+00
|
||
|
|
S 13
|
||
|
|
1 834900.0000000 0.196645E-05
|
||
|
|
2 125000.0000000 0.152620E-04
|
||
|
|
3 28430.0000000 0.806086E-04
|
||
|
|
4 8033.0000000 0.339960E-03
|
||
|
|
5 2608.0000000 0.124551E-02
|
||
|
|
6 933.9000000 0.399612E-02
|
||
|
|
7 360.0000000 0.114751E-01
|
||
|
|
8 147.0000000 0.275504E-01
|
||
|
|
9 62.8800000 0.532917E-01
|
||
|
|
10 27.6000000 0.571246E-01
|
||
|
|
11 11.0800000 -0.395201E-01
|
||
|
|
12 5.0750000 -0.264343E+00
|
||
|
|
13 2.2780000 -0.349291E+00
|
||
|
|
S 1
|
||
|
|
1 0.7775000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.3527000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1431000 1.0000000
|
||
|
|
P 8
|
||
|
|
1 1703.0000000 0.474039E-03
|
||
|
|
2 403.6000000 0.406412E-02
|
||
|
|
3 130.3000000 0.213355E-01
|
||
|
|
4 49.0500000 0.794611E-01
|
||
|
|
5 20.2600000 0.208927E+00
|
||
|
|
6 8.7870000 0.364945E+00
|
||
|
|
7 3.9190000 0.371725E+00
|
||
|
|
8 1.7650000 0.146292E+00
|
||
|
|
P 8
|
||
|
|
1 1703.0000000 -0.128266E-03
|
||
|
|
2 403.6000000 -0.109356E-02
|
||
|
|
3 130.3000000 -0.583429E-02
|
||
|
|
4 49.0500000 -0.219258E-01
|
||
|
|
5 20.2600000 -0.601385E-01
|
||
|
|
6 8.7870000 -0.106929E+00
|
||
|
|
7 3.9190000 -0.122454E+00
|
||
|
|
8 1.7650000 0.383619E-01
|
||
|
|
P 1
|
||
|
|
1 0.7207000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2839000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1060000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 5.1910000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.2760000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.5830000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2430000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.4230000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.0890000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.8270000 1.0000000
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 13
|
||
|
|
1 950600.0000000 0.227545E-04
|
||
|
|
2 142300.0000000 0.176945E-03
|
||
|
|
3 32360.0000000 0.931282E-03
|
||
|
|
4 9145.0000000 0.392860E-02
|
||
|
|
5 2970.0000000 0.142064E-01
|
||
|
|
6 1064.0000000 0.448114E-01
|
||
|
|
7 410.8000000 0.121001E+00
|
||
|
|
8 168.0000000 0.260579E+00
|
||
|
|
9 71.9900000 0.381364E+00
|
||
|
|
10 31.6700000 0.276058E+00
|
||
|
|
11 12.8900000 0.505179E-01
|
||
|
|
12 5.9290000 -0.359866E-02
|
||
|
|
13 2.6780000 0.218798E-02
|
||
|
|
S 13
|
||
|
|
1 950600.0000000 -0.646201E-05
|
||
|
|
2 142300.0000000 -0.502346E-04
|
||
|
|
3 32360.0000000 -0.264804E-03
|
||
|
|
4 9145.0000000 -0.111895E-02
|
||
|
|
5 2970.0000000 -0.408276E-02
|
||
|
|
6 1064.0000000 -0.131216E-01
|
||
|
|
7 410.8000000 -0.372855E-01
|
||
|
|
8 168.0000000 -0.894709E-01
|
||
|
|
9 71.9900000 -0.168054E+00
|
||
|
|
10 31.6700000 -0.179594E+00
|
||
|
|
11 12.8900000 0.102953E+00
|
||
|
|
12 5.9290000 0.562630E+00
|
||
|
|
13 2.6780000 0.450355E+00
|
||
|
|
S 13
|
||
|
|
1 950600.0000000 0.202056E-05
|
||
|
|
2 142300.0000000 0.156851E-04
|
||
|
|
3 32360.0000000 0.828617E-04
|
||
|
|
4 9145.0000000 0.349264E-03
|
||
|
|
5 2970.0000000 0.127976E-02
|
||
|
|
6 1064.0000000 0.410365E-02
|
||
|
|
7 410.8000000 0.117789E-01
|
||
|
|
8 168.0000000 0.283868E-01
|
||
|
|
9 71.9900000 0.552406E-01
|
||
|
|
10 31.6700000 0.607492E-01
|
||
|
|
11 12.8900000 -0.362012E-01
|
||
|
|
12 5.9290000 -0.275398E+00
|
||
|
|
13 2.6780000 -0.362845E+00
|
||
|
|
S 1
|
||
|
|
1 0.9416000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.4239000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1714000 1.0000000
|
||
|
|
P 8
|
||
|
|
1 1890.0000000 0.495752E-03
|
||
|
|
2 447.8000000 0.425172E-02
|
||
|
|
3 144.6000000 0.223277E-01
|
||
|
|
4 54.4600000 0.830878E-01
|
||
|
|
5 22.5100000 0.217110E+00
|
||
|
|
6 9.7740000 0.374507E+00
|
||
|
|
7 4.3680000 0.366445E+00
|
||
|
|
8 1.9590000 0.129245E+00
|
||
|
|
P 8
|
||
|
|
1 1890.0000000 -0.138863E-03
|
||
|
|
2 447.8000000 -0.118870E-02
|
||
|
|
3 144.6000000 -0.632553E-02
|
||
|
|
4 54.4600000 -0.238813E-01
|
||
|
|
5 22.5100000 -0.649238E-01
|
||
|
|
6 9.7740000 -0.115444E+00
|
||
|
|
7 4.3680000 -0.123651E+00
|
||
|
|
8 1.9590000 0.649055E-01
|
||
|
|
P 1
|
||
|
|
1 0.8260000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.3297000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1242000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 6.3150000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.5620000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.7150000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2970000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.5430000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.3250000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.0070000 1.0000000
|
||
|
|
|
||
|
|
|