iterations/neb0_image01_iter40_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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0.3497414799999987 0.5423329999999993 0.3384879999999981
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0.2997057700000028 0.4728671499999990 0.5332579199999969
0.3434061700000015 0.4943509499999976 0.5888533400000000
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0.4715460999999976 0.5793919600000024 0.4044452300000003
0.6570237600000013 0.6425648199999969 0.5799153700000019
0.6928455999999983 0.6304798500000004 0.4900828500000003
0.6282274200000018 0.6216859600000006 0.3262756299999978
0.5537348000000009 0.5732153499999981 0.5904848799999982
0.5378409500000032 0.5394843899999984 0.4864922399999969
0.5424202100000031 0.6243081900000007 0.4996464800000027
0.6053453500000003 0.8290275700000009 0.4754919700000002
0.6105611500000023 0.7828534499999975 0.5786275199999977
0.5737009999999998 0.7552489099999988 0.4953766100000010
0.6644149999999982 0.7517351999999988 0.3083459599999969
0.7015706500000007 0.8056642299999979 0.5268545099999997
0.6605515999999980 0.4173648399999976 0.3644317799999968
0.6904081599999969 0.3983181799999969 0.5194952100000023
0.5400879299999986 0.2954155400000005 0.4173338499999986
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0.5359875799999969 0.4029657299999982 0.5905277199999972
0.5658775599999970 0.2852932500000023 0.5886056699999997
0.6174280600000017 0.4339139100000011 0.6747735399999968
0.6403320699999995 0.3578231099999982 0.6848231000000027
0.6363104500000034 0.2684398500000000 0.2950581099999994
0.6216701600000007 0.2143884099999980 0.3781621799999968
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