iterations/neb0_image05_iter27_CONTCAR output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
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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0.6206336199999996 0.3473448299999973 0.2894611199999986
0.6076645400000018 0.2793821599999973 0.4767502400000012
0.5029853200000005 0.4156805699999992 0.4176495199999977
0.5201553799999985 0.4054632499999968 0.5301919400000017
0.5047474599999973 0.3343772200000004 0.4656727899999993
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