iterations/neb0_image08_iter42_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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0.6369499899999980 0.6467444000000029 0.5195418500000031
0.7085288099999971 0.6553127700000019 0.4583088099999983
0.5826096999999990 0.6194441600000005 0.2875258500000015
0.6088584399999988 0.6398474699999994 0.7126086600000008
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0.5754377900000023 0.8285123599999977 0.4233406700000018
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0.5440202600000035 0.7558180899999982 0.4383653000000010
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0.6728107400000027 0.8147035499999973 0.4727135600000025
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0.5098081599999986 0.2920629099999985 0.3676193399999974
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0.5289109799999991 0.2975694399999966 0.5410429499999978
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0.6128433399999977 0.3594958400000010 0.6338357799999983
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0.5939741299999994 0.2218367999999984 0.3304120100000034
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