iterations/neb0_image07_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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0.4175246499999972 0.3871666499999975 0.5290580400000024
0.3172427200000030 0.4757044999999991 0.5643060900000023
0.3648962099999977 0.4896405900000005 0.6193477300000012
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0.4754516599999974 0.5765617699999979 0.4264452700000021
0.6378298699999974 0.6410033200000029 0.5543132000000028
0.6765986300000009 0.6210718399999990 0.4690840299999977
0.6122674200000020 0.6261290899999992 0.3022398199999969
0.5469260599999970 0.5729380100000014 0.5592297399999993
0.5285390199999966 0.5430534799999975 0.4555686200000011
0.5317779399999978 0.6312406199999998 0.4729798199999991
0.5912310499999975 0.8270353200000002 0.4519359100000031
0.5940265099999991 0.7821721500000010 0.5542960900000011
0.5598992600000017 0.7525194700000029 0.4661662999999976
0.6432615599999991 0.7527619500000000 0.2881714600000009
0.6875193500000023 0.8026429000000022 0.4968985200000020
0.6442601600000017 0.4180654299999986 0.3332587399999980
0.6719537500000001 0.4027722100000020 0.4848095600000022
0.5261385599999997 0.2897098099999980 0.3924749600000013
0.5597003700000016 0.3645107500000009 0.2801564199999973
0.5255916999999997 0.4170041300000022 0.5613380599999971
0.5455328800000032 0.2981125000000020 0.5663637600000015
0.6044783099999975 0.4348511000000030 0.6565385399999997
0.6249905499999997 0.3572306599999990 0.6547110300000014
0.6274989300000016 0.2700494700000036 0.2779273200000034
0.6124080299999974 0.2211016400000005 0.3634110599999971
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