iterations/neb0_image06_iter47_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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0.4478200400000034 0.5823652899999985 0.3968782500000003
0.6410984700000029 0.6413337899999974 0.5552143500000000
0.6846151900000024 0.6257696699999968 0.4728017999999992
0.6115871700000000 0.6244383100000022 0.3053024399999984
0.5594844800000018 0.5825747600000000 0.5841424700000033
0.5481795500000004 0.5332505699999999 0.4832147999999989
0.5376888400000013 0.6256217899999967 0.4849365600000013
0.5922850800000035 0.8268154300000035 0.4531551800000031
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0.5267337499999982 0.4162512899999982 0.5660647500000024
0.5466336499999969 0.2974205299999966 0.5684639199999992
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0.6129718500000010 0.2202612800000026 0.3631711800000019
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