iterations/neb0_image08_iter39_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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0.0197489700000020 0.6632661499999983 0.9411300200000028
0.6390982500000035 0.6530739299999979 0.4835751299999984
0.7484092300000000 0.6950143899999972 0.4505527199999975
0.5508103399999982 0.6109971300000012 0.2753122000000019
0.6843566000000010 0.7172871699999988 0.8977461899999994
0.8846572499999965 0.3964505599999981 0.8571678100000000
0.5836597999999995 0.5333616899999996 0.5680511400000015
0.5598735000000019 0.8297133100000025 0.3945878999999977
0.5625946999999982 0.7885299499999974 0.4981352300000026
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0.6084241399999968 0.7576056099999988 0.2215051499999987
0.6585439500000021 0.8283009100000029 0.4490802899999977
0.6115932399999977 0.4184625999999980 0.2743292400000001
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0.4937084900000031 0.2943688599999987 0.3432479000000015
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0.5752712600000010 0.2221166499999967 0.2964977099999970
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