iterations/neb0_image04_iter24_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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0.5677547700000005 0.3690865900000020 0.2635000200000022
0.6225227999999987 0.3424471299999965 0.2897885499999973
0.6095208899999989 0.2745319899999998 0.4769598900000034
0.5044023600000003 0.4117844299999973 0.4182241000000033
0.5219686699999997 0.4008135400000015 0.5304884299999983
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0.5892617000000016 0.1612206599999979 0.3834672699999970
0.5876890600000024 0.2072416800000028 0.1528472399999998
0.6707666699999990 0.4619513600000005 0.5407337799999965
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0.6519939599999987 0.6097062199999996 0.2742479300000014
0.7138582099999979 0.5820810000000023 0.6516509400000032
0.7094981899999979 0.6583728199999968 0.6067014400000019
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