mirror of https://github.com/TREX-CoE/qmckl.git
25 lines
488 B
Plaintext
25 lines
488 B
Plaintext
rank_nucleus_charge 1
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dims_nucleus_charge 0 2
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rank_nucleus_coord 2
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dims_nucleus_coord 0 2
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dims_nucleus_coord 1 3
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rank_nucleus_label 1
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dims_nucleus_label 0 2
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nucleus_num_isSet 1
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nucleus_num 2
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len_nucleus_point_group 0
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nucleus_point_group
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nucleus_charge
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4.0000000000000000e+00
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4.0000000000000000e+00
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nucleus_coord
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0.0000000000000000e+00
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0.0000000000000000e+00
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2.3183160107063618e+00
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0.0000000000000000e+00
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0.0000000000000000e+00
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-2.3183160107063618e+00
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nucleus_label
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Be
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Be
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