iterations/neb0_image03_iter60_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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0.6493386599999980 0.6399885100000020 0.5712250999999995
0.6882552200000021 0.6210581799999986 0.4858096099999969
0.6221069200000002 0.6237111200000029 0.3192584999999966
0.5583563699999985 0.5725115700000032 0.5782148699999965
0.5374993599999982 0.5399498199999968 0.4755554199999992
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0.5349597900000020 0.4134497699999997 0.5798853399999970
0.5564442100000022 0.2951845500000019 0.5840336300000004
0.6141030699999988 0.4346820600000001 0.6739825699999997
0.6360240799999985 0.3547305600000001 0.6725283700000020
0.6365840400000025 0.2683008699999974 0.2933323299999984
0.6213691999999966 0.2185862199999988 0.3772222899999988
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