iterations/neb0_image03_iter36_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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0.4646030999999979 0.5784431800000007 0.4070815299999992
0.6487184699999986 0.6394709599999970 0.5707559399999980
0.6875945199999975 0.6212403099999975 0.4852932300000035
0.6221884400000022 0.6239124499999988 0.3183517100000017
0.5573358799999966 0.5726310299999966 0.5793939499999965
0.5396401699999984 0.5398897199999979 0.4747713000000005
0.5422228400000009 0.6283750799999979 0.4910373800000016
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0.5702008800000016 0.7513589200000013 0.4831846800000008
0.6539353399999968 0.7512527199999965 0.3034399000000008
0.6976854500000016 0.8017518999999993 0.5137124800000024
0.6542891499999968 0.4166361799999976 0.3505469300000001
0.6826043000000013 0.4014297900000017 0.5026867999999993
0.5360670000000027 0.2892815200000030 0.4096461099999971
0.5696172000000033 0.3632936500000028 0.2974826000000022
0.5348317899999984 0.4138663900000026 0.5801915699999967
0.5564056899999983 0.2946792400000007 0.5839439599999992
0.6139039400000001 0.4324818600000029 0.6724378099999981
0.6344941300000002 0.3567055999999980 0.6719596599999988
0.6365118900000013 0.2685124799999983 0.2929269600000026
0.6213594199999974 0.2182159199999987 0.3779394499999995
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