mirror of
https://github.com/LCPQ/quantum_package
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commit
428bbdfe65
@ -318,7 +318,7 @@ P 1
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D 1
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1 0.0973000 1.0000000
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Mn
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Mg
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S 11
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1 47390.0000000 0.346023D-03
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2 7108.0000000 0.268077D-02
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@ -1604,7 +1604,7 @@ F 2
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1 2.221100E+00 4.235450E-01
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2 5.231000E-01 7.741140E-01
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Mg
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Mn
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S 19
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1 3.960805E+06 8.242127E-06
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2 5.931155E+05 6.408587E-05
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