iterations/neb0_image04_iter8_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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0.2622411799999966 0.3976262199999994 0.2693939099999980
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0.4722569600000028 0.5774050099999997 0.4184925300000018
0.6457961500000025 0.6395985999999994 0.5674966099999992
0.6839868899999999 0.6193245300000001 0.4819831399999970
0.6204513899999995 0.6248728300000010 0.3150373499999972
0.5535726299999979 0.5705065200000021 0.5681282899999971
0.5319203199999976 0.5433088799999979 0.4643394599999979
0.5389979600000032 0.6303014300000029 0.4848560800000001
0.5992167499999965 0.8256121200000024 0.4648834500000021
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0.6512876899999966 0.7513539199999997 0.3011206400000006
0.6955257600000024 0.8011044599999977 0.5098399399999991
0.6522827599999985 0.4165725599999988 0.3461616900000024
0.6799469899999977 0.4012377299999983 0.4977427500000005
0.5340888599999971 0.2882201099999975 0.4053354200000001
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0.5335270400000027 0.4154862999999978 0.5737625000000008
0.5535399500000011 0.2966375399999990 0.5792075399999987
0.6125237899999973 0.4334703099999970 0.6693894799999995
0.6329751700000017 0.3557756699999999 0.6676021800000029
0.6354896499999967 0.2685800499999971 0.2909265300000001
0.6204053399999978 0.2197241300000030 0.3764381700000001
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