mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-15 00:58:31 +02:00
1480 lines
27 KiB
Plaintext
1480 lines
27 KiB
Plaintext
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x000000000000003F,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x0000000000007FFF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000003FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x000000000007FFFF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000007FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000003FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000001FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000007FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x0000000000001FFF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x0000000000000FFF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x000000000000001F,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x000000000000000F,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x0000000000000007,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x000000000000001F,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x000000000000000F,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000003FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000003FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000007FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x0000000000000FFF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000007FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x0000000000000FFF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x0000000000000FFF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x0000000000000001,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000001FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x000000000001FFFF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x0000000000001FFF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000001FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x0000000000001FFF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000007FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_alpha' : 0x000000000000007F,
|
||
|
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|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
},
|
||
|
'HCO.ezfio' : {
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
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|
||
|
'HCP.ezfio' : {
|
||
|
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|
||
|
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|
||
|
'HF_alpha' : 0x00000000000007FF,
|
||
|
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|
||
|
'HF_beta' : 0x00000000000007FF,
|
||
|
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|
||
|
'H.ezfio' : {
|
||
|
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|
||
|
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|
||
|
'HF_alpha' : 0x0000000000000001,
|
||
|
'beta' : 0,
|
||
|
'HF_beta' : 0x0000000000000000,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_alpha' : 0x0000000000001FFF,
|
||
|
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|
||
|
'HF_beta' : 0x0000000000001FFF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_beta' : 0x00000000000001FF,
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
'HF_alpha' : 0x00000000000007FF,
|
||
|
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|
||
|
'HF_beta' : 0x00000000000003FF,
|
||
|
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|
||
|
'HONa.ezfio' : {
|
||
|
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|
||
|
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|
||
|
'HF_alpha' : 0x00000000000003FF,
|
||
|
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|
||
|
'HF_beta' : 0x00000000000003FF,
|
||
|
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|
||
|
'HOO.ezfio' : {
|
||
|
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|
||
|
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|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
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|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
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|
||
|
'HOOH.ezfio' : {
|
||
|
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|
||
|
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|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
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|
||
|
'HF_beta' : 0x00000000000001FF,
|
||
|
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|
||
|
'HSSH.ezfio' : {
|
||
|
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|
||
|
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|
||
|
'HF_alpha' : 0x000000000001FFFF,
|
||
|
'beta' : 17,
|
||
|
'HF_beta' : 0x000000000001FFFF,
|
||
|
},
|
||
|
'Li2.ezfio' : {
|
||
|
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|
||
|
'alpha' : 3,
|
||
|
'HF_alpha' : 0x0000000000000007,
|
||
|
'beta' : 3,
|
||
|
'HF_beta' : 0x0000000000000007,
|
||
|
},
|
||
|
'LiCl.ezfio' : {
|
||
|
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|
||
|
'alpha' : 10,
|
||
|
'HF_alpha' : 0x00000000000003FF,
|
||
|
'beta' : 10,
|
||
|
'HF_beta' : 0x00000000000003FF,
|
||
|
},
|
||
|
'Li.ezfio' : {
|
||
|
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|
||
|
'alpha' : 2,
|
||
|
'HF_alpha' : 0x0000000000000003,
|
||
|
'beta' : 1,
|
||
|
'HF_beta' : 0x0000000000000001,
|
||
|
},
|
||
|
'Li+.ezfio' : {
|
||
|
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|
||
|
'alpha' : 1,
|
||
|
'HF_alpha' : 0x0000000000000001,
|
||
|
'beta' : 1,
|
||
|
'HF_beta' : 0x0000000000000001,
|
||
|
},
|
||
|
'LiF.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 6,
|
||
|
'HF_alpha' : 0x000000000000003F,
|
||
|
'beta' : 6,
|
||
|
'HF_beta' : 0x000000000000003F,
|
||
|
},
|
||
|
'LiH.ezfio' : {
|
||
|
'mo_tot_num' : 19,
|
||
|
'alpha' : 2,
|
||
|
'HF_alpha' : 0x0000000000000003,
|
||
|
'beta' : 2,
|
||
|
'HF_beta' : 0x0000000000000003,
|
||
|
},
|
||
|
'LiN.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 6,
|
||
|
'HF_alpha' : 0x000000000000003F,
|
||
|
'beta' : 4,
|
||
|
'HF_beta' : 0x000000000000000F,
|
||
|
},
|
||
|
'LiO.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 6,
|
||
|
'HF_alpha' : 0x000000000000003F,
|
||
|
'beta' : 5,
|
||
|
'HF_beta' : 0x000000000000001F,
|
||
|
},
|
||
|
'LiOH.ezfio' : {
|
||
|
'mo_tot_num' : 33,
|
||
|
'alpha' : 6,
|
||
|
'HF_alpha' : 0x000000000000003F,
|
||
|
'beta' : 6,
|
||
|
'HF_beta' : 0x000000000000003F,
|
||
|
},
|
||
|
'MgCl.ezfio' : {
|
||
|
'mo_tot_num' : 36,
|
||
|
'alpha' : 15,
|
||
|
'HF_alpha' : 0x0000000000007FFF,
|
||
|
'beta' : 14,
|
||
|
'HF_beta' : 0x0000000000003FFF,
|
||
|
},
|
||
|
'Mg.ezfio' : {
|
||
|
'mo_tot_num' : 18,
|
||
|
'alpha' : 6,
|
||
|
'HF_alpha' : 0x000000000000003F,
|
||
|
'beta' : 6,
|
||
|
'HF_beta' : 0x000000000000003F,
|
||
|
},
|
||
|
'Mg+.ezfio' : {
|
||
|
'mo_tot_num' : 18,
|
||
|
'alpha' : 6,
|
||
|
'HF_alpha' : 0x000000000000003F,
|
||
|
'beta' : 5,
|
||
|
'HF_beta' : 0x000000000000001F,
|
||
|
},
|
||
|
'MgH.ezfio' : {
|
||
|
'mo_tot_num' : 23,
|
||
|
'alpha' : 7,
|
||
|
'HF_alpha' : 0x000000000000007F,
|
||
|
'beta' : 6,
|
||
|
'HF_beta' : 0x000000000000003F,
|
||
|
},
|
||
|
'MgS.ezfio' : {
|
||
|
'mo_tot_num' : 36,
|
||
|
'alpha' : 14,
|
||
|
'HF_alpha' : 0x0000000000003FFF,
|
||
|
'beta' : 14,
|
||
|
'HF_beta' : 0x0000000000003FFF,
|
||
|
},
|
||
|
'N2.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 7,
|
||
|
'HF_alpha' : 0x000000000000007F,
|
||
|
'beta' : 7,
|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
},
|
||
|
'N2+.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 7,
|
||
|
'HF_alpha' : 0x000000000000007F,
|
||
|
'beta' : 6,
|
||
|
'HF_beta' : 0x000000000000003F,
|
||
|
},
|
||
|
'Na2.ezfio' : {
|
||
|
'mo_tot_num' : 36,
|
||
|
'alpha' : 11,
|
||
|
'HF_alpha' : 0x00000000000007FF,
|
||
|
'beta' : 11,
|
||
|
'HF_beta' : 0x00000000000007FF,
|
||
|
},
|
||
|
'NaCl.ezfio' : {
|
||
|
'mo_tot_num' : 36,
|
||
|
'alpha' : 14,
|
||
|
'HF_alpha' : 0x0000000000003FFF,
|
||
|
'beta' : 14,
|
||
|
'HF_beta' : 0x0000000000003FFF,
|
||
|
},
|
||
|
'Na.ezfio' : {
|
||
|
'mo_tot_num' : 18,
|
||
|
'alpha' : 6,
|
||
|
'HF_alpha' : 0x000000000000003F,
|
||
|
'beta' : 5,
|
||
|
'HF_beta' : 0x000000000000001F,
|
||
|
},
|
||
|
'Na+.ezfio' : {
|
||
|
'mo_tot_num' : 18,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 5,
|
||
|
'HF_beta' : 0x000000000000001F,
|
||
|
},
|
||
|
'NaH.ezfio' : {
|
||
|
'mo_tot_num' : 23,
|
||
|
'alpha' : 6,
|
||
|
'HF_alpha' : 0x000000000000003F,
|
||
|
'beta' : 6,
|
||
|
'HF_beta' : 0x000000000000003F,
|
||
|
},
|
||
|
'N.ezfio' : {
|
||
|
'mo_tot_num' : 14,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 2,
|
||
|
'HF_beta' : 0x0000000000000003,
|
||
|
},
|
||
|
'N+.ezfio' : {
|
||
|
'mo_tot_num' : 14,
|
||
|
'alpha' : 4,
|
||
|
'HF_alpha' : 0x000000000000000F,
|
||
|
'beta' : 2,
|
||
|
'HF_beta' : 0x0000000000000003,
|
||
|
},
|
||
|
'NF.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 7,
|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
},
|
||
|
'NH2-.ezfio' : {
|
||
|
'mo_tot_num' : 24,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 5,
|
||
|
'HF_beta' : 0x000000000000001F,
|
||
|
},
|
||
|
'NH2.ezfio' : {
|
||
|
'mo_tot_num' : 24,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 4,
|
||
|
'HF_beta' : 0x000000000000000F,
|
||
|
},
|
||
|
'NH3.ezfio' : {
|
||
|
'mo_tot_num' : 29,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 5,
|
||
|
'HF_beta' : 0x000000000000001F,
|
||
|
},
|
||
|
'NH3+.ezfio' : {
|
||
|
'mo_tot_num' : 29,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 4,
|
||
|
'HF_beta' : 0x000000000000000F,
|
||
|
},
|
||
|
'NH4+.ezfio' : {
|
||
|
'mo_tot_num' : 34,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 5,
|
||
|
'HF_beta' : 0x000000000000001F,
|
||
|
},
|
||
|
'NH-.ezfio' : {
|
||
|
'mo_tot_num' : 19,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 4,
|
||
|
'HF_beta' : 0x000000000000000F,
|
||
|
},
|
||
|
'NH.ezfio' : {
|
||
|
'mo_tot_num' : 19,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 3,
|
||
|
'HF_beta' : 0x0000000000000007,
|
||
|
},
|
||
|
'NO-.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 7,
|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
},
|
||
|
'NO.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 8,
|
||
|
'HF_alpha' : 0x00000000000000FF,
|
||
|
'beta' : 7,
|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
},
|
||
|
'NP.ezfio' : {
|
||
|
'mo_tot_num' : 32,
|
||
|
'alpha' : 11,
|
||
|
'HF_alpha' : 0x00000000000007FF,
|
||
|
'beta' : 11,
|
||
|
'HF_beta' : 0x00000000000007FF,
|
||
|
},
|
||
|
'NS.ezfio' : {
|
||
|
'mo_tot_num' : 32,
|
||
|
'alpha' : 12,
|
||
|
'HF_alpha' : 0x0000000000000FFF,
|
||
|
'beta' : 11,
|
||
|
'HF_beta' : 0x00000000000007FF,
|
||
|
},
|
||
|
'NSi.ezfio' : {
|
||
|
'mo_tot_num' : 32,
|
||
|
'alpha' : 11,
|
||
|
'HF_alpha' : 0x00000000000007FF,
|
||
|
'beta' : 10,
|
||
|
'HF_beta' : 0x00000000000003FF,
|
||
|
},
|
||
|
'O2Cl.ezfio' : {
|
||
|
'mo_tot_num' : 46,
|
||
|
'alpha' : 17,
|
||
|
'HF_alpha' : 0x000000000001FFFF,
|
||
|
'beta' : 16,
|
||
|
'HF_beta' : 0x000000000000FFFF,
|
||
|
},
|
||
|
'O2-.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 8,
|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
},
|
||
|
'O2.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 7,
|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
},
|
||
|
'O2+.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 8,
|
||
|
'HF_alpha' : 0x00000000000000FF,
|
||
|
'beta' : 7,
|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
},
|
||
|
'O2S.ezfio' : {
|
||
|
'mo_tot_num' : 46,
|
||
|
'alpha' : 16,
|
||
|
'HF_alpha' : 0x000000000000FFFF,
|
||
|
'beta' : 16,
|
||
|
'HF_beta' : 0x000000000000FFFF,
|
||
|
},
|
||
|
'O2Si.ezfio' : {
|
||
|
'mo_tot_num' : 46,
|
||
|
'alpha' : 15,
|
||
|
'HF_alpha' : 0x0000000000007FFF,
|
||
|
'beta' : 15,
|
||
|
'HF_beta' : 0x0000000000007FFF,
|
||
|
},
|
||
|
'O3.ezfio' : {
|
||
|
'mo_tot_num' : 42,
|
||
|
'alpha' : 12,
|
||
|
'HF_alpha' : 0x0000000000000FFF,
|
||
|
'beta' : 12,
|
||
|
'HF_beta' : 0x0000000000000FFF,
|
||
|
},
|
||
|
'OCl.ezfio' : {
|
||
|
'mo_tot_num' : 32,
|
||
|
'alpha' : 13,
|
||
|
'HF_alpha' : 0x0000000000001FFF,
|
||
|
'beta' : 12,
|
||
|
'HF_beta' : 0x0000000000000FFF,
|
||
|
},
|
||
|
'O-.ezfio' : {
|
||
|
'mo_tot_num' : 14,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 4,
|
||
|
'HF_beta' : 0x000000000000000F,
|
||
|
},
|
||
|
'O.ezfio' : {
|
||
|
'mo_tot_num' : 14,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 3,
|
||
|
'HF_beta' : 0x0000000000000007,
|
||
|
},
|
||
|
'O+.ezfio' : {
|
||
|
'mo_tot_num' : 14,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 2,
|
||
|
'HF_beta' : 0x0000000000000003,
|
||
|
},
|
||
|
'OH2.ezfio' : {
|
||
|
'mo_tot_num' : 24,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 5,
|
||
|
'HF_beta' : 0x000000000000001F,
|
||
|
},
|
||
|
'OH2+.ezfio' : {
|
||
|
'mo_tot_num' : 24,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 4,
|
||
|
'HF_beta' : 0x000000000000000F,
|
||
|
},
|
||
|
'OH3+.ezfio' : {
|
||
|
'mo_tot_num' : 29,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 5,
|
||
|
'HF_beta' : 0x000000000000001F,
|
||
|
},
|
||
|
'OH-.ezfio' : {
|
||
|
'mo_tot_num' : 19,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 5,
|
||
|
'HF_beta' : 0x000000000000001F,
|
||
|
},
|
||
|
'OH.ezfio' : {
|
||
|
'mo_tot_num' : 19,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 4,
|
||
|
'HF_beta' : 0x000000000000000F,
|
||
|
},
|
||
|
'OH+.ezfio' : {
|
||
|
'mo_tot_num' : 19,
|
||
|
'alpha' : 5,
|
||
|
'HF_alpha' : 0x000000000000001F,
|
||
|
'beta' : 3,
|
||
|
'HF_beta' : 0x0000000000000007,
|
||
|
},
|
||
|
'OMg.ezfio' : {
|
||
|
'mo_tot_num' : 32,
|
||
|
'alpha' : 10,
|
||
|
'HF_alpha' : 0x00000000000003FF,
|
||
|
'beta' : 10,
|
||
|
'HF_beta' : 0x00000000000003FF,
|
||
|
},
|
||
|
'ONa.ezfio' : {
|
||
|
'mo_tot_num' : 32,
|
||
|
'alpha' : 10,
|
||
|
'HF_alpha' : 0x00000000000003FF,
|
||
|
'beta' : 9,
|
||
|
'HF_beta' : 0x00000000000001FF,
|
||
|
},
|
||
|
'OP-.ezfio' : {
|
||
|
'mo_tot_num' : 32,
|
||
|
'alpha' : 13,
|
||
|
'HF_alpha' : 0x0000000000001FFF,
|
||
|
'beta' : 11,
|
||
|
'HF_beta' : 0x00000000000007FF,
|
||
|
},
|
||
|
'OP.ezfio' : {
|
||
|
'mo_tot_num' : 32,
|
||
|
'alpha' : 12,
|
||
|
'HF_alpha' : 0x0000000000000FFF,
|
||
|
'beta' : 11,
|
||
|
'HF_beta' : 0x00000000000007FF,
|
||
|
},
|
||
|
'OPH.ezfio' : {
|
||
|
'mo_tot_num' : 37,
|
||
|
'alpha' : 12,
|
||
|
'HF_alpha' : 0x0000000000000FFF,
|
||
|
'beta' : 12,
|
||
|
'HF_beta' : 0x0000000000000FFF,
|
||
|
},
|
||
|
'OS.ezfio' : {
|
||
|
'mo_tot_num' : 32,
|
||
|
'alpha' : 13,
|
||
|
'HF_alpha' : 0x0000000000001FFF,
|
||
|
'beta' : 11,
|
||
|
'HF_beta' : 0x00000000000007FF,
|
||
|
},
|
||
|
'OSi.ezfio' : {
|
||
|
'mo_tot_num' : 32,
|
||
|
'alpha' : 11,
|
||
|
'HF_alpha' : 0x00000000000007FF,
|
||
|
'beta' : 11,
|
||
|
'HF_beta' : 0x00000000000007FF,
|
||
|
},
|
||
|
'P2.ezfio' : {
|
||
|
'mo_tot_num' : 36,
|
||
|
'alpha' : 15,
|
||
|
'HF_alpha' : 0x0000000000007FFF,
|
||
|
'beta' : 15,
|
||
|
'HF_beta' : 0x0000000000007FFF,
|
||
|
},
|
||
|
'P2+.ezfio' : {
|
||
|
'mo_tot_num' : 36,
|
||
|
'alpha' : 15,
|
||
|
'HF_alpha' : 0x0000000000007FFF,
|
||
|
'beta' : 14,
|
||
|
'HF_beta' : 0x0000000000003FFF,
|
||
|
},
|
||
|
'PCl.ezfio' : {
|
||
|
'mo_tot_num' : 36,
|
||
|
'alpha' : 17,
|
||
|
'HF_alpha' : 0x000000000001FFFF,
|
||
|
'beta' : 15,
|
||
|
'HF_beta' : 0x0000000000007FFF,
|
||
|
},
|
||
|
'P-.ezfio' : {
|
||
|
'mo_tot_num' : 18,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 7,
|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
},
|
||
|
'P.ezfio' : {
|
||
|
'mo_tot_num' : 18,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 6,
|
||
|
'HF_beta' : 0x000000000000003F,
|
||
|
},
|
||
|
'PH2-.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 9,
|
||
|
'HF_beta' : 0x00000000000001FF,
|
||
|
},
|
||
|
'PH2.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 8,
|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
},
|
||
|
'PH2+.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 8,
|
||
|
'HF_alpha' : 0x00000000000000FF,
|
||
|
'beta' : 8,
|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
},
|
||
|
'PH3.ezfio' : {
|
||
|
'mo_tot_num' : 33,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 9,
|
||
|
'HF_beta' : 0x00000000000001FF,
|
||
|
},
|
||
|
'PH3+.ezfio' : {
|
||
|
'mo_tot_num' : 33,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 8,
|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
},
|
||
|
'PH4+.ezfio' : {
|
||
|
'mo_tot_num' : 38,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 9,
|
||
|
'HF_beta' : 0x00000000000001FF,
|
||
|
},
|
||
|
'PH-.ezfio' : {
|
||
|
'mo_tot_num' : 23,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 8,
|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
},
|
||
|
'PH.ezfio' : {
|
||
|
'mo_tot_num' : 23,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 7,
|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
},
|
||
|
'PS.ezfio' : {
|
||
|
'mo_tot_num' : 36,
|
||
|
'alpha' : 16,
|
||
|
'HF_alpha' : 0x000000000000FFFF,
|
||
|
'beta' : 15,
|
||
|
'HF_beta' : 0x0000000000007FFF,
|
||
|
},
|
||
|
'S2-.ezfio' : {
|
||
|
'mo_tot_num' : 36,
|
||
|
'alpha' : 17,
|
||
|
'HF_alpha' : 0x000000000001FFFF,
|
||
|
'beta' : 16,
|
||
|
'HF_beta' : 0x000000000000FFFF,
|
||
|
},
|
||
|
'S2.ezfio' : {
|
||
|
'mo_tot_num' : 36,
|
||
|
'alpha' : 17,
|
||
|
'HF_alpha' : 0x000000000001FFFF,
|
||
|
'beta' : 15,
|
||
|
'HF_beta' : 0x0000000000007FFF,
|
||
|
},
|
||
|
'S-.ezfio' : {
|
||
|
'mo_tot_num' : 18,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 8,
|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
},
|
||
|
'S.ezfio' : {
|
||
|
'mo_tot_num' : 18,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 7,
|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
},
|
||
|
'S+.ezfio' : {
|
||
|
'mo_tot_num' : 18,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 6,
|
||
|
'HF_beta' : 0x000000000000003F,
|
||
|
},
|
||
|
'SH2.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 9,
|
||
|
'HF_beta' : 0x00000000000001FF,
|
||
|
},
|
||
|
'SH2+.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 8,
|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
},
|
||
|
'SH3+.ezfio' : {
|
||
|
'mo_tot_num' : 33,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 9,
|
||
|
'HF_beta' : 0x00000000000001FF,
|
||
|
},
|
||
|
'SH-.ezfio' : {
|
||
|
'mo_tot_num' : 23,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 9,
|
||
|
'HF_beta' : 0x00000000000001FF,
|
||
|
},
|
||
|
'SH.ezfio' : {
|
||
|
'mo_tot_num' : 23,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 8,
|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
},
|
||
|
'SH+.ezfio' : {
|
||
|
'mo_tot_num' : 23,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 7,
|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
},
|
||
|
'Si2.ezfio' : {
|
||
|
'mo_tot_num' : 36,
|
||
|
'alpha' : 15,
|
||
|
'HF_alpha' : 0x0000000000007FFF,
|
||
|
'beta' : 13,
|
||
|
'HF_beta' : 0x0000000000001FFF,
|
||
|
},
|
||
|
'SiCl.ezfio' : {
|
||
|
'mo_tot_num' : 36,
|
||
|
'alpha' : 16,
|
||
|
'HF_alpha' : 0x000000000000FFFF,
|
||
|
'beta' : 15,
|
||
|
'HF_beta' : 0x0000000000007FFF,
|
||
|
},
|
||
|
'Si-.ezfio' : {
|
||
|
'mo_tot_num' : 18,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 6,
|
||
|
'HF_beta' : 0x000000000000003F,
|
||
|
},
|
||
|
'Si.ezfio' : {
|
||
|
'mo_tot_num' : 18,
|
||
|
'alpha' : 8,
|
||
|
'HF_alpha' : 0x00000000000000FF,
|
||
|
'beta' : 6,
|
||
|
'HF_beta' : 0x000000000000003F,
|
||
|
},
|
||
|
'SiH2_1A1.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 8,
|
||
|
'HF_alpha' : 0x00000000000000FF,
|
||
|
'beta' : 8,
|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
},
|
||
|
'SiH2_3B1.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 7,
|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
},
|
||
|
'SiH2-.ezfio' : {
|
||
|
'mo_tot_num' : 28,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 8,
|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
},
|
||
|
'SiH3-.ezfio' : {
|
||
|
'mo_tot_num' : 33,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 9,
|
||
|
'HF_beta' : 0x00000000000001FF,
|
||
|
},
|
||
|
'SiH3.ezfio' : {
|
||
|
'mo_tot_num' : 33,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 8,
|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
},
|
||
|
'SiH4.ezfio' : {
|
||
|
'mo_tot_num' : 38,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 9,
|
||
|
'HF_beta' : 0x00000000000001FF,
|
||
|
},
|
||
|
'SiH4+.ezfio' : {
|
||
|
'mo_tot_num' : 38,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 8,
|
||
|
'HF_beta' : 0x00000000000000FF,
|
||
|
},
|
||
|
'SiH-.ezfio' : {
|
||
|
'mo_tot_num' : 23,
|
||
|
'alpha' : 9,
|
||
|
'HF_alpha' : 0x00000000000001FF,
|
||
|
'beta' : 7,
|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
},
|
||
|
'SiH.ezfio' : {
|
||
|
'mo_tot_num' : 23,
|
||
|
'alpha' : 8,
|
||
|
'HF_alpha' : 0x00000000000000FF,
|
||
|
'beta' : 7,
|
||
|
'HF_beta' : 0x000000000000007F,
|
||
|
},
|
||
|
'SiS.ezfio' : {
|
||
|
'mo_tot_num' : 36,
|
||
|
'alpha' : 15,
|
||
|
'HF_alpha' : 0x0000000000007FFF,
|
||
|
'beta' : 15,
|
||
|
'HF_beta' : 0x0000000000007FFF,
|
||
|
},
|
||
|
}
|