mirror of https://gitlab.com/QEF/q-e.git
81 lines
2.0 KiB
Plaintext
81 lines
2.0 KiB
Plaintext
[Molden Format]
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[FREQ]
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0.00
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0.00
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0.00
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0.00
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0.00
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0.00
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0.00
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36.83
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154.19
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180.34
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272.84
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338.91
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[FR-COORD]
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Zn 12.73064 3.08890 -0.32514
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Zn 7.81648 1.26278 2.83814
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O 6.65774 3.09114 -0.32801
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O 11.58656 1.26504 2.84123
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[FR-NORM-COORD]
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vibration 1
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-0.03797 -0.04499 -0.07173
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0.03931 0.00794 -0.25439
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-0.05425 0.01008 0.59296
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0.04878 0.14138 0.74031
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vibration 2
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0.17427 -0.00923 0.21064
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-0.19600 0.09339 -0.30533
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0.17468 0.74407 -0.06523
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-0.19586 -0.37447 -0.13348
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vibration 3
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-0.30457 -0.23764 0.35090
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-0.41793 -0.16243 0.21822
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-0.30446 -0.18844 0.16168
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-0.41800 -0.19297 0.33565
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vibration 4
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0.05689 -0.78053 -0.41967
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-0.08022 0.25371 -0.03562
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0.05709 -0.06251 -0.26848
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-0.07987 -0.19185 -0.13000
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vibration 5
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0.17763 -0.16576 0.07316
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0.12371 -0.59491 -0.25834
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0.17765 -0.49634 -0.22116
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0.12344 -0.38975 -0.07544
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vibration 6
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-0.24996 0.18459 -0.22279
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-0.26680 -0.01181 -0.36233
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-0.24999 -0.31952 -0.54618
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-0.26716 0.30123 -0.16182
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vibration 7
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0.22516 -0.03797 0.23623
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-0.02341 0.18052 -0.02379
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0.22535 -0.45370 -0.48108
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-0.02393 0.43884 0.42088
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vibration 8
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-0.00265 0.11259 0.00873
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0.00384 0.21491 -0.04385
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0.00263 -0.56217 0.14015
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-0.00752 -0.77676 0.00344
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vibration 9
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0.28910 0.19103 -0.35140
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-0.31288 -0.15870 0.24236
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0.33002 0.11735 -0.12069
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-0.23279 -0.24955 0.56649
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vibration 10
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-0.19568 -0.00648 0.01179
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-0.13859 0.00601 -0.00983
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0.74641 -0.00570 0.00759
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0.62022 0.00763 -0.01558
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vibration 11
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-0.21966 0.00625 0.00207
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0.23195 -0.00246 0.02538
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0.04192 0.33084 -0.62679
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-0.09214 -0.34632 0.51454
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vibration 12
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0.07796 0.00073 0.00727
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-0.10993 0.00373 0.00709
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-0.60276 0.09421 -0.19839
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0.73349 -0.11246 0.13967
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