iterations/neb0_image08_iter66_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
0.2260551099999972 0.5244618099999983 0.3460612499999982
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0.1805217599999978 0.5337445999999986 0.2661940899999991
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0.3264715099999975 0.4737286299999965 0.5828158999999999
0.3747870899999981 0.4863319299999986 0.6344854299999980
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0.4050471700000031 0.5871470200000033 0.2929484599999981
0.6514864199999977 0.6522294199999976 0.5393751100000017
0.6938188100000033 0.6489731500000033 0.4678925600000028
0.5925999500000003 0.6227766200000033 0.3024765600000023
0.5841603599999985 0.6095536300000006 0.5938978599999984
0.5682361200000017 0.5279155300000014 0.5680238599999967
0.5406871699999982 0.5928332299999965 0.5106673399999977
0.5831285200000025 0.8249528899999987 0.4340922199999966
0.5851349599999978 0.7828617699999967 0.5363220200000001
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0.6323420299999967 0.7555187800000027 0.2673658499999974
0.6799426800000035 0.8144076900000030 0.4821487899999966
0.6344552799999974 0.4156737599999971 0.3165016000000023
0.6647175399999981 0.3947458700000013 0.4673774800000032
0.5165795300000013 0.2915331100000031 0.3771981499999981
0.5491999300000003 0.3667707999999976 0.2650551099999987
0.5184481100000013 0.4176804800000014 0.5568427299999996
0.5363750400000029 0.2987614899999969 0.5498892999999967
0.5947517800000028 0.4340090600000011 0.6434050299999967
0.6186101099999988 0.3592544300000000 0.6414913999999996
0.6163830599999969 0.2718695000000011 0.2597363699999988
0.6008920200000034 0.2211186400000003 0.3440403999999972
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