iterations/neb0_image08_iter23_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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0.4747106200000033 0.5766081299999968 0.4273571399999980
0.6350608199999996 0.6414738900000003 0.5496383400000013
0.6742914700000000 0.6218004600000029 0.4646328299999993
0.6093404599999985 0.6265419599999973 0.2978077100000007
0.5449402599999971 0.5740780499999971 0.5572998199999972
0.5291697400000004 0.5424779499999985 0.4539211100000031
0.5295677499999982 0.6312469499999978 0.4691244500000025
0.5884370699999977 0.8275425400000032 0.4473897199999968
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0.5571099499999974 0.7530351899999985 0.4616214999999997
0.6404605700000019 0.7532778799999988 0.2836163799999980
0.6847364799999980 0.8031951000000035 0.4923748799999998
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0.5228951599999974 0.4175063200000011 0.5571569600000004
0.5427164600000012 0.2986091499999972 0.5618253199999970
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0.6246976099999983 0.2705777799999964 0.2734020999999984
0.6096031299999964 0.2216017200000024 0.3588852700000018
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