mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-28 22:25:39 +01:00
704 lines
26 KiB
Plaintext
704 lines
26 KiB
Plaintext
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HYDROGEN
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S 3
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1 3.386500000000E+01 2.549380000000E-02
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2 5.094790000000E+00 1.903730000000E-01
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3 1.158790000000E+00 8.521610000000E-01
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S 1
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1 3.258400000000E-01 1.0000000
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S 1
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1 1.027410000000E-01 1.0000000
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P 1
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1 1.500000000000E+00 1.0000000
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P 1
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1 3.750000000000E-01 1.0000000
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HELIUM
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S 3
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1 9.812430000000E+01 2.874520000000E-02
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2 1.476890000000E+01 2.080610000000E-01
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3 3.318830000000E+00 8.376350000000E-01
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S 1
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1 8.740470000000E-01 1.0000000
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S 1
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1 2.445640000000E-01 1.0000000
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S 1
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1 8.600000000000E-02 1.0000000
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P 1
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1 1.500000000000E+00 1.0000000
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P 1
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1 3.750000000000E-01 1.0000000
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LITHIUM
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S 6
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1 9.004600000000E+02 2.287040000000E-03
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2 1.344330000000E+02 1.763500000000E-02
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3 3.043650000000E+01 8.734340000000E-02
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4 8.626390000000E+00 2.809770000000E-01
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5 2.483320000000E+00 6.587410000000E-01
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6 3.031790000000E-01 1.187120000000E-01
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S 3
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1 4.868900000000E+00 9.332930000000E-02
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2 8.569240000000E-01 9.430450000000E-01
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3 2.432270000000E-01 -2.798270000000E-01
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S 1
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1 6.350700000000E-02 1.0000000
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S 1
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1 2.436830000000E-02 1.0000000
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S 1
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1 7.400000000000E-03 1.0000000
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P 3
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1 4.868900000000E+00 3.276610000000E-02
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2 8.569240000000E-01 1.597920000000E-01
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3 2.432270000000E-01 8.856670000000E-01
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P 1
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1 6.350700000000E-02 1.0000000
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P 1
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1 2.436830000000E-02 1.0000000
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P 1
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1 7.400000000000E-03 1.0000000
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D 1
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1 4.000000000000E-01 1.0000000
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D 1
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1 1.000000000000E-01 1.0000000
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F 1
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1 1.500000000000E-01 1.0000000
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BERYLLIUM
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S 6
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1 1.682800000000E+03 2.285740000000E-03
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2 2.517150000000E+02 1.759380000000E-02
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3 5.741160000000E+01 8.633150000000E-02
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4 1.651710000000E+01 2.818350000000E-01
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5 4.853640000000E+00 6.405940000000E-01
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6 6.268630000000E-01 1.444670000000E-01
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S 3
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1 8.093800000000E+00 1.086210000000E-01
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2 1.740750000000E+00 9.273010000000E-01
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3 4.858160000000E-01 -2.971690000000E-01
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S 1
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1 1.636130000000E-01 1.0000000
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S 1
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1 5.672850000000E-02 1.0000000
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S 1
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1 2.070000000000E-02 1.0000000
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P 3
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1 8.093800000000E+00 3.613440000000E-02
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2 1.740750000000E+00 2.169580000000E-01
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3 4.858160000000E-01 8.418390000000E-01
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P 1
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1 1.636130000000E-01 1.0000000
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P 1
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1 5.672850000000E-02 1.0000000
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P 1
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1 2.070000000000E-02 1.0000000
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D 1
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1 5.100000000000E-01 1.0000000
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D 1
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1 1.275000000000E-01 1.0000000
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F 1
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1 2.600000000000E-01 1.0000000
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BORON
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S 6
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1 2.858890000000E+03 2.153750000000E-03
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2 4.281400000000E+02 1.658230000000E-02
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3 9.752820000000E+01 8.218700000000E-02
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4 2.796930000000E+01 2.766180000000E-01
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5 8.215770000000E+00 6.293160000000E-01
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6 1.112780000000E+00 1.737700000000E-01
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S 3
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1 1.324150000000E+01 1.174430000000E-01
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2 3.001660000000E+00 9.180020000000E-01
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3 9.128560000000E-01 -2.651050000000E-03
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S 1
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1 3.154540000000E-01 1.0000000
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S 1
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1 9.885630000000E-02 1.0000000
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S 1
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1 3.150000000000E-02 1.0000000
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P 3
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1 1.324150000000E+01 4.181000000000E-02
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2 3.001660000000E+00 2.365750000000E-01
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3 9.128560000000E-01 8.162140000000E-01
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P 1
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1 3.154540000000E-01 1.0000000
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P 1
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1 9.885630000000E-02 1.0000000
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P 1
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1 3.150000000000E-02 1.0000000
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D 1
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1 8.020000000000E-01 1.0000000
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D 1
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1 2.005000000000E-01 1.0000000
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F 1
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1 5.000000000000E-01 1.0000000
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CARBON
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S 6
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1 4.563240000000E+03 1.966650000000E-03
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2 6.820240000000E+02 1.523060000000E-02
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3 1.549730000000E+02 7.612690000000E-02
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4 4.445530000000E+01 2.608010000000E-01
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5 1.302900000000E+01 6.164620000000E-01
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6 1.827730000000E+00 2.210060000000E-01
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S 3
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1 2.096420000000E+01 1.146600000000E-01
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2 4.803310000000E+00 9.199990000000E-01
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3 1.459330000000E+00 -3.030680000000E-03
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S 1
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1 4.834560000000E-01 1.0000000
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S 1
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1 1.455850000000E-01 1.0000000
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S 1
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1 4.380000000000E-02 1.0000000
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P 3
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1 2.096420000000E+01 4.024870000000E-02
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2 4.803310000000E+00 2.375940000000E-01
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3 1.459330000000E+00 8.158540000000E-01
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P 1
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1 4.834560000000E-01 1.0000000
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P 1
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1 1.455850000000E-01 1.0000000
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P 1
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1 4.380000000000E-02 1.0000000
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D 1
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1 1.252000000000E+00 1.0000000
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D 1
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1 3.130000000000E-01 1.0000000
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F 1
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1 8.000000000000E-01 1.0000000
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NITROGEN
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S 6
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1 6.293480000000E+03 1.969790000000E-03
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2 9.490440000000E+02 1.496130000000E-02
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3 2.187760000000E+02 7.350060000000E-02
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4 6.369160000000E+01 2.489370000000E-01
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5 1.882820000000E+01 6.024600000000E-01
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6 2.720230000000E+00 2.562020000000E-01
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S 3
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1 3.063310000000E+01 1.119060000000E-01
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2 7.026140000000E+00 9.216660000000E-01
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3 2.112050000000E+00 -2.569190000000E-03
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S 1
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1 6.840090000000E-01 1.0000000
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S 1
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1 2.008780000000E-01 1.0000000
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S 1
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1 6.390000000000E-02 1.0000000
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P 3
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1 3.063310000000E+01 3.831190000000E-02
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2 7.026140000000E+00 2.374030000000E-01
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3 2.112050000000E+00 8.175920000000E-01
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P 1
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1 6.840090000000E-01 1.0000000
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P 1
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1 2.008780000000E-01 1.0000000
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P 1
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1 6.390000000000E-02 1.0000000
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D 1
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1 1.826000000000E+00 1.0000000
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D 1
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1 4.565000000000E-01 1.0000000
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F 1
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1 1.000000000000E+00 1.0000000
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OXYGEN
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S 6
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1 8.588500000000E+03 1.895150000000E-03
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2 1.297230000000E+03 1.438590000000E-02
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3 2.992960000000E+02 7.073200000000E-02
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4 8.737710000000E+01 2.400010000000E-01
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5 2.567890000000E+01 5.947970000000E-01
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6 3.740040000000E+00 2.808020000000E-01
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S 3
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1 4.211750000000E+01 1.138890000000E-01
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2 9.628370000000E+00 9.208110000000E-01
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3 2.853320000000E+00 -3.274470000000E-03
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S 1
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1 9.056610000000E-01 1.0000000
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S 1
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1 2.556110000000E-01 1.0000000
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S 1
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1 8.450000000000E-02 1.0000000
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P 3
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1 4.211750000000E+01 3.651140000000E-02
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2 9.628370000000E+00 2.371530000000E-01
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3 2.853320000000E+00 8.197020000000E-01
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P 1
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1 9.056610000000E-01 1.0000000
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P 1
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1 2.556110000000E-01 1.0000000
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P 1
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1 8.450000000000E-02 1.0000000
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D 1
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1 2.584000000000E+00 1.0000000
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D 1
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1 6.460000000000E-01 1.0000000
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F 1
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1 1.400000000000E+00 1.0000000
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FLUORINE
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S 6
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1 1.142710000000E+04 1.800930000000E-03
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2 1.722350000000E+03 1.374190000000E-02
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3 3.957460000000E+02 6.813340000000E-02
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4 1.151390000000E+02 2.333250000000E-01
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5 3.360260000000E+01 5.890860000000E-01
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6 4.919010000000E+00 2.995050000000E-01
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S 3
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1 5.544410000000E+01 1.145360000000E-01
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2 1.263230000000E+01 9.205120000000E-01
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3 3.717560000000E+00 -3.378040000000E-03
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S 1
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1 1.165450000000E+00 1.0000000
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S 1
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1 3.218920000000E-01 1.0000000
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S 1
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1 1.076000000000E-01 1.0000000
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P 3
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1 5.544410000000E+01 3.546090000000E-02
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2 1.263230000000E+01 2.374510000000E-01
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3 3.717560000000E+00 8.204580000000E-01
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P 1
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1 1.165450000000E+00 1.0000000
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P 1
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1 3.218920000000E-01 1.0000000
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P 1
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1 1.076000000000E-01 1.0000000
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D 1
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1 3.500000000000E+00 1.0000000
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D 1
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1 8.750000000000E-01 1.0000000
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F 1
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1 1.850000000000E+00 1.0000000
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NEON
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S 6
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1 1.399570000000E+04 1.832760000000E-03
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2 2.117100000000E+03 1.388270000000E-02
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3 4.904250000000E+02 6.806870000000E-02
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4 1.438330000000E+02 2.313280000000E-01
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5 4.192650000000E+01 5.858900000000E-01
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6 6.156840000000E+00 3.058830000000E-01
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S 3
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1 6.912110000000E+01 1.191490000000E-01
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2 1.583500000000E+01 9.173750000000E-01
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3 4.673260000000E+00 -4.058390000000E-03
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S 1
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1 1.457560000000E+00 1.0000000
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S 1
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1 3.970570000000E-01 1.0000000
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S 1
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1 1.300000000000E-01 1.0000000
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P 3
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1 6.912110000000E+01 3.565740000000E-02
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2 1.583500000000E+01 2.394770000000E-01
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3 4.673260000000E+00 8.184610000000E-01
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P 1
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1 1.457560000000E+00 1.0000000
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P 1
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1 3.970570000000E-01 1.0000000
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P 1
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1 1.300000000000E-01 1.0000000
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D 1
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1 4.608000000000E+00 1.0000000
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D 1
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1 1.152000000000E+00 1.0000000
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F 1
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1 2.500000000000E+00 1.0000000
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SODIUM
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S 6
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1 3.616640000000E+04 1.032000000000E-03
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2 5.372580000000E+03 8.071000000000E-03
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3 1.213210000000E+03 4.212900000000E-02
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4 3.396230000000E+02 1.697890000000E-01
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5 1.095530000000E+02 5.146210000000E-01
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6 3.877730000000E+01 3.798170000000E-01
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S 3
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1 3.877730000000E+01 3.747620000000E-01
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2 1.457590000000E+01 5.757690000000E-01
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3 5.269930000000E+00 1.129330000000E-01
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S 1
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1 1.827770000000E+00 1.0000000
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S 1
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1 6.199480000000E-01 1.0000000
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S 1
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1 5.724000000000E-02 1.0000000
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S 1
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1 2.404800000000E-02 1.0000000
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S 1
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1 7.600000000000E-03 1.0000000
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P 4
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1 1.446450000000E+02 1.148500000000E-02
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2 3.390740000000E+01 8.238300000000E-02
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3 1.062850000000E+01 3.196580000000E-01
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4 3.823890000000E+00 7.012950000000E-01
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P 2
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1 1.444290000000E+00 6.385060000000E-01
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2 5.526210000000E-01 4.253650000000E-01
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P 1
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1 1.887200000000E-01 1.0000000
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P 1
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|
|
1 4.650100000000E-02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.628500000000E-02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 7.600000000000E-03 1.0000000
|
||
|
|
D 1
|
||
|
|
1 7.000000000000E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.750000000000E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 4.375000000000E-02 1.0000000
|
||
|
|
F 1
|
||
|
|
1 3.000000000000E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 7.500000000000E-02 1.0000000
|
||
|
|
|
||
|
|
MAGNESIUM
|
||
|
|
S 6
|
||
|
|
1 4.386650000000E+04 9.180000000000E-04
|
||
|
|
2 6.605370000000E+03 7.047000000000E-03
|
||
|
|
3 1.513260000000E+03 3.594100000000E-02
|
||
|
|
4 4.323170000000E+02 1.414610000000E-01
|
||
|
|
5 1.421490000000E+02 4.267640000000E-01
|
||
|
|
6 5.139830000000E+01 4.979750000000E-01
|
||
|
|
S 3
|
||
|
|
1 5.139830000000E+01 2.513550000000E-01
|
||
|
|
2 1.991960000000E+01 6.186710000000E-01
|
||
|
|
3 8.024740000000E+00 1.884170000000E-01
|
||
|
|
S 1
|
||
|
|
1 2.508170000000E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 8.715310000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.081880000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 4.013000000000E-02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.460000000000E-02 1.0000000
|
||
|
|
P 4
|
||
|
|
1 1.938540000000E+02 1.018800000000E-02
|
||
|
|
2 4.544200000000E+01 7.536000000000E-02
|
||
|
|
3 1.418640000000E+01 3.074190000000E-01
|
||
|
|
4 5.057510000000E+00 7.175750000000E-01
|
||
|
|
P 2
|
||
|
|
1 1.888610000000E+00 6.673390000000E-01
|
||
|
|
2 7.226520000000E-01 3.946490000000E-01
|
||
|
|
P 1
|
||
|
|
1 2.364170000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 9.335800000000E-02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 3.480900000000E-02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.460000000000E-02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 7.000000000000E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.750000000000E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 4.375000000000E-02 1.0000000
|
||
|
|
F 1
|
||
|
|
1 4.000000000000E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.000000000000E-01 1.0000000
|
||
|
|
|
||
|
|
ALUMINUM
|
||
|
|
S 6
|
||
|
|
1 5.486648900000E+04 8.390000000000E-04
|
||
|
|
2 8.211766500000E+03 6.527000000000E-03
|
||
|
|
3 1.866176100000E+03 3.366600000000E-02
|
||
|
|
4 5.311293400000E+02 1.329020000000E-01
|
||
|
|
5 1.751179700000E+02 4.012660000000E-01
|
||
|
|
6 6.400550000000E+01 5.313380000000E-01
|
||
|
|
S 3
|
||
|
|
1 6.400550000000E+01 2.023050000000E-01
|
||
|
|
2 2.529250700000E+01 6.247900000000E-01
|
||
|
|
3 1.053491000000E+01 2.274390000000E-01
|
||
|
|
S 1
|
||
|
|
1 3.206711000000E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.152555000000E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.766780000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 6.523700000000E-02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.180000000000E-02 1.0000000
|
||
|
|
P 4
|
||
|
|
1 2.592836200000E+02 9.448000000000E-03
|
||
|
|
2 6.107687000000E+01 7.097400000000E-02
|
||
|
|
3 1.930323700000E+01 2.956360000000E-01
|
||
|
|
4 7.010882000000E+00 7.282190000000E-01
|
||
|
|
P 2
|
||
|
|
1 2.673865000000E+00 6.444670000000E-01
|
||
|
|
2 1.036596000000E+00 4.174130000000E-01
|
||
|
|
P 1
|
||
|
|
1 3.168190000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.142570000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 4.139700000000E-02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 3.180000000000E-02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.300000000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 3.250000000000E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 8.125000000000E-02 1.0000000
|
||
|
|
F 1
|
||
|
|
1 5.000000000000E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.250000000000E-01 1.0000000
|
||
|
|
|
||
|
|
SILICON
|
||
|
|
S 6
|
||
|
|
1 6.937923000000E+04 7.570000000000E-04
|
||
|
|
2 1.035494000000E+04 5.932000000000E-03
|
||
|
|
3 2.333879600000E+03 3.108800000000E-02
|
||
|
|
4 6.571429500000E+02 1.249670000000E-01
|
||
|
|
5 2.143011300000E+02 3.868970000000E-01
|
||
|
|
6 7.762916800000E+01 5.548880000000E-01
|
||
|
|
S 3
|
||
|
|
1 7.762916800000E+01 1.778810000000E-01
|
||
|
|
2 3.063080700000E+01 6.277650000000E-01
|
||
|
|
3 1.280129500000E+01 2.476230000000E-01
|
||
|
|
S 1
|
||
|
|
1 3.926866000000E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.452343000000E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.562340000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 9.427900000000E-02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.310000000000E-02 1.0000000
|
||
|
|
P 4
|
||
|
|
1 3.354831900000E+02 8.866000000000E-03
|
||
|
|
2 7.890036600000E+01 6.829900000000E-02
|
||
|
|
3 2.498815000000E+01 2.909580000000E-01
|
||
|
|
4 9.219711000000E+00 7.321170000000E-01
|
||
|
|
P 2
|
||
|
|
1 3.621140000000E+00 6.198790000000E-01
|
||
|
|
2 1.451310000000E+00 4.391480000000E-01
|
||
|
|
P 1
|
||
|
|
1 5.049770000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.863170000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 6.543200000000E-02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 3.310000000000E-02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.800000000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 4.500000000000E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.125000000000E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 6.400000000000E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.600000000000E-01 1.0000000
|
||
|
|
|
||
|
|
PHOSPHORUS
|
||
|
|
S 6
|
||
|
|
1 7.749240000000E+04 7.869212000000E-04
|
||
|
|
2 1.160580000000E+04 6.108245000000E-03
|
||
|
|
3 2.645960000000E+03 3.139689000000E-02
|
||
|
|
4 7.549700000000E+02 1.242379000000E-01
|
||
|
|
5 2.487500000000E+02 3.811538000000E-01
|
||
|
|
6 9.115000000000E+01 5.595372000000E-01
|
||
|
|
S 3
|
||
|
|
1 9.115000000000E+01 1.641617000000E-01
|
||
|
|
2 3.622000000000E+01 6.259097000000E-01
|
||
|
|
3 1.521000000000E+01 2.620744000000E-01
|
||
|
|
S 1
|
||
|
|
1 4.710000000000E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.780000000000E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.400000000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.200000000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.480000000000E-02 1.0000000
|
||
|
|
P 4
|
||
|
|
1 3.848400000000E+02 8.967875000000E-03
|
||
|
|
2 9.055000000000E+01 6.904902000000E-02
|
||
|
|
3 2.880000000000E+01 2.928770000000E-01
|
||
|
|
4 1.068000000000E+01 7.292494000000E-01
|
||
|
|
P 2
|
||
|
|
1 4.250000000000E+00 6.325822000000E-01
|
||
|
|
2 1.740000000000E+00 4.232996000000E-01
|
||
|
|
P 1
|
||
|
|
1 5.900000000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 2.200000000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 8.000000000000E-02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 3.480000000000E-02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 2.200000000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 5.500000000000E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.375000000000E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 9.000000000000E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.250000000000E-01 1.0000000
|
||
|
|
|
||
|
|
SULFUR
|
||
|
|
S 6
|
||
|
|
1 9.341340000000E+04 7.420791000000E-04
|
||
|
|
2 1.396170000000E+04 5.787658000000E-03
|
||
|
|
3 3.169910000000E+03 2.994067000000E-02
|
||
|
|
4 9.024500000000E+02 1.189282000000E-01
|
||
|
|
5 2.971500000000E+02 3.681822000000E-01
|
||
|
|
6 1.087000000000E+02 5.776336000000E-01
|
||
|
|
S 3
|
||
|
|
1 1.087000000000E+02 1.427905000000E-01
|
||
|
|
2 4.315000000000E+01 6.246934000000E-01
|
||
|
|
3 1.810000000000E+01 2.834835000000E-01
|
||
|
|
S 1
|
||
|
|
1 5.570000000000E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.140000000000E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 4.300000000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.500000000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 4.050000000000E-02 1.0000000
|
||
|
|
P 4
|
||
|
|
1 4.950400000000E+02 8.196253000000E-03
|
||
|
|
2 1.172200000000E+02 6.364204000000E-02
|
||
|
|
3 3.750000000000E+01 2.788060000000E-01
|
||
|
|
4 1.391000000000E+01 7.447404000000E-01
|
||
|
|
P 2
|
||
|
|
1 5.500000000000E+00 6.168248000000E-01
|
||
|
|
2 2.240000000000E+00 4.402946000000E-01
|
||
|
|
P 1
|
||
|
|
1 7.700000000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 2.900000000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.000000000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 4.050000000000E-02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 2.600000000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 6.500000000000E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.625000000000E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.100000000000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.750000000000E-01 1.0000000
|
||
|
|
|
||
|
|
CHLORINE
|
||
|
|
S 6
|
||
|
|
1 1.058190000000E+05 7.423627000000E-04
|
||
|
|
2 1.587200000000E+04 5.747318000000E-03
|
||
|
|
3 3.619650000000E+03 2.964876000000E-02
|
||
|
|
4 1.030800000000E+03 1.178998000000E-01
|
||
|
|
5 3.399000000000E+02 3.648532000000E-01
|
||
|
|
6 1.245300000000E+02 5.816968000000E-01
|
||
|
|
S 3
|
||
|
|
1 1.245300000000E+02 1.370443000000E-01
|
||
|
|
2 4.951000000000E+01 6.231380000000E-01
|
||
|
|
3 2.080000000000E+01 2.903279000000E-01
|
||
|
|
S 1
|
||
|
|
1 6.460000000000E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.520000000000E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 5.300000000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.900000000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 4.830000000000E-02 1.0000000
|
||
|
|
P 4
|
||
|
|
1 5.897800000000E+02 7.873332000000E-03
|
||
|
|
2 1.398500000000E+02 6.155460000000E-02
|
||
|
|
3 4.479000000000E+01 2.742514000000E-01
|
||
|
|
4 1.661000000000E+01 7.498994000000E-01
|
||
|
|
P 2
|
||
|
|
1 6.590000000000E+00 6.147640000000E-01
|
||
|
|
2 2.710000000000E+00 4.413416000000E-01
|
||
|
|
P 1
|
||
|
|
1 9.500000000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 3.500000000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.200000000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 4.830000000000E-02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 3.000000000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 7.500000000000E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.875000000000E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.400000000000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 3.500000000000E-01 1.0000000
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 6
|
||
|
|
1 1.180220000000E+05 7.461902000000E-04
|
||
|
|
2 1.768350000000E+04 5.786362000000E-03
|
||
|
|
3 4.027770000000E+03 2.990098000000E-02
|
||
|
|
4 1.145400000000E+03 1.191287000000E-01
|
||
|
|
5 3.771600000000E+02 3.687839000000E-01
|
||
|
|
6 1.381600000000E+02 5.767726000000E-01
|
||
|
|
S 3
|
||
|
|
1 1.381600000000E+02 1.435931000000E-01
|
||
|
|
2 5.498000000000E+01 6.231142000000E-01
|
||
|
|
3 2.317000000000E+01 2.840810000000E-01
|
||
|
|
S 1
|
||
|
|
1 7.370000000000E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.920000000000E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 6.500000000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.300000000000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 6.000000000000E-02 1.0000000
|
||
|
|
P 4
|
||
|
|
1 6.630600000000E+02 7.820021000000E-03
|
||
|
|
2 1.570900000000E+02 6.148333000000E-02
|
||
|
|
3 5.023000000000E+01 2.754731000000E-01
|
||
|
|
4 1.863000000000E+01 7.488402000000E-01
|
||
|
|
P 2
|
||
|
|
1 7.440000000000E+00 -6.282210000000E-01
|
||
|
|
2 3.090000000000E+00 -4.260202000000E-01
|
||
|
|
P 1
|
||
|
|
1 1.100000000000E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 4.100000000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.400000000000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 6.000000000000E-02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 3.400000000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 8.500000000000E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 2.125000000000E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.700000000000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 4.250000000000E-01 1.0000000
|
||
|
|
|
||
|
|
|