iterations/neb0_image05_iter62_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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0.4463007700000006 0.4438652700000034 0.2554643499999969
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0.3131432699999976 0.4760617600000003 0.5578573900000023
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0.4878488399999981 0.5661252599999997 0.3126714699999980
0.4535448700000018 0.5833796499999977 0.3952292800000023
0.6466047600000024 0.6424514699999975 0.5609376299999980
0.6872879399999974 0.6263505699999996 0.4778338099999999
0.6138645099999991 0.6243429700000007 0.3112796099999997
0.5611523899999966 0.5805884999999975 0.5814818899999992
0.5397686000000022 0.5359757000000016 0.4872601699999990
0.5381954100000002 0.6246937200000033 0.4894425800000022
0.5954830599999994 0.8263729600000005 0.4581015999999991
0.5984714399999973 0.7819613300000015 0.5602283400000019
0.5644135399999968 0.7518966900000024 0.4724451900000020
0.6473451000000026 0.7520639299999985 0.2927413700000017
0.6922443500000028 0.8039022399999993 0.5032675699999984
0.6484129700000025 0.4171556699999996 0.3401839799999991
0.6767631199999968 0.4007566599999990 0.4916964199999967
0.5299997600000026 0.2894160199999973 0.3996414499999972
0.5635854900000012 0.3645162600000020 0.2862083999999996
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0.5499315300000021 0.2968582100000035 0.5723299900000001
0.6081491899999989 0.4349730699999981 0.6636965599999982
0.6295036400000029 0.3564222500000014 0.6616061900000005
0.6304731900000036 0.2689097399999980 0.2835637000000020
0.6151701799999998 0.2194362700000028 0.3671653500000005
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