mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-25 05:43:43 +01:00
752 lines
28 KiB
Plaintext
752 lines
28 KiB
Plaintext
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ALUMINUM
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S 16
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S 1
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S 1
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S 1
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P 9
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F 1
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G 1
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G 1
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G 1
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H 1
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H 1
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I 1
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1 0.5302000 1.0000000
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SILICON
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S 16
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1 4465000.0000000 0.0000017
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2 668500.0000000 0.0000136
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S 16
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2 668500.0000000 -0.0000036
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S 16
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S 1
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S 1
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S 1
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S 1
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S 1
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P 9
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P 9
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P 1
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I 1
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PHOSPHORUS
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S 16
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S 16
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S 16
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2 806200.0000000 0.0000010
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3 183600.0000000 0.0000050
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6 6523.0000000 0.0002221
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7 2687.0000000 0.0006122
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8 1178.0000000 0.0015918
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16 3.4410000 -0.2036450
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S 1
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1 1.7120000 1.0000000
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S 1
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S 1
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P 9
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P 9
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G 1
|
||
|
|
1 0.5055000 1.0000000
|
||
|
|
H 1
|
||
|
|
1 1.8743000 1.0000000
|
||
|
|
H 1
|
||
|
|
1 0.8871000 1.0000000
|
||
|
|
I 1
|
||
|
|
1 1.5066000 1.0000000
|
||
|
|
|
||
|
|
|