iterations/neb0_image02_iter45_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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0.4670224199999993 0.5784176499999987 0.4097194699999989
0.6511978400000018 0.6386915599999980 0.5756378399999988
0.6893993099999989 0.6191095900000008 0.4899199999999979
0.6253917399999978 0.6236958100000010 0.3234855099999976
0.5584495700000005 0.5700486300000023 0.5778174699999994
0.5372184300000029 0.5419212299999998 0.4736221599999979
0.5440531200000009 0.6290021800000005 0.4935681700000032
0.6043492599999993 0.8248493899999971 0.4731379999999987
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0.6565516000000002 0.7502919399999968 0.3092587599999987
0.7005911800000035 0.8003483000000031 0.5179622200000011
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0.5385018500000029 0.4137965500000007 0.5829128600000004
0.5591056900000027 0.2950503799999993 0.5878382599999981
0.6173746400000013 0.4326161299999995 0.6776780599999981
0.6381596499999986 0.3550068899999985 0.6764090899999999
0.6402786800000015 0.2675362700000008 0.2986121799999992
0.6251045899999994 0.2183607899999984 0.3836970099999988
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