iterations/neb0_image02_iter67_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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0.6894634900000014 0.6193252200000003 0.4895549499999987
0.6250425799999988 0.6236544899999998 0.3237380999999999
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0.6042317300000022 0.8250191599999965 0.4730817200000033
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0.5594538799999995 0.2947943599999974 0.5874295699999976
0.6172605799999999 0.4323379699999990 0.6776474099999987
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0.6246034899999984 0.2181217500000017 0.3827054799999985
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