iterations/neb0_image02_iter58_CONTCAR output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
No title
1.00000000000000
30.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 20.0000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 15.0000000000000000
C Si O N H
6 10 8 6 42
Direct
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0.4666920100000027 0.5784374600000035 0.4091685699999985
0.6514542999999975 0.6389532800000026 0.5756955499999989
0.6895406800000003 0.6195315399999970 0.4894847099999993
0.6250404399999994 0.6234616699999975 0.3237397799999968
0.5586435199999968 0.5703896799999981 0.5786846199999971
0.5374007799999987 0.5414154099999990 0.4748474800000011
0.5440032699999975 0.6287373899999977 0.4937596099999979
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0.6400627100000023 0.2673337100000026 0.2978428099999988
0.6246593799999971 0.2181568399999989 0.3824225799999965
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