iterations/neb0_image02_iter36_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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0.1107624099999995 0.4399725399999994 0.2735368900000026
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0.3040726799999973 0.4771618700000033 0.5419994499999987
0.3508112000000025 0.4926287899999977 0.5975665500000034
0.4851985700000014 0.5702578000000003 0.3047546900000029
0.4664538700000023 0.5785235399999991 0.4078302200000010
0.6515186199999974 0.6387537000000023 0.5752295899999993
0.6897090200000022 0.6202270300000023 0.4892967099999979
0.6250499800000000 0.6234042299999984 0.3234976999999972
0.5581192000000001 0.5708619099999979 0.5801424599999976
0.5382799699999978 0.5411971699999967 0.4755547199999981
0.5439955100000020 0.6285007000000036 0.4941437000000022
0.6042516799999973 0.8251488000000009 0.4728556900000029
0.6069415700000036 0.7807302000000007 0.5761655599999997
0.5728707099999966 0.7509645299999974 0.4880616900000021
0.6566642100000024 0.7501695799999979 0.3088066299999994
0.7004363300000023 0.8005876499999971 0.5174974000000034
0.6574064699999980 0.4158732499999971 0.3545224800000000
0.6855758299999977 0.4007922999999991 0.5071072200000017
0.5394677500000000 0.2891429599999995 0.4137931799999990
0.5730822100000026 0.3629675899999967 0.3013261199999988
0.5381677299999978 0.4128010000000017 0.5839976899999968
0.5596377899999965 0.2940989800000011 0.5881148200000013
0.6168597899999995 0.4323393700000011 0.6773041499999977
0.6378643899999972 0.3556149699999978 0.6768335200000024
0.6397325499999980 0.2674488299999993 0.2975153100000014
0.6244286299999970 0.2176365199999992 0.3822722099999964
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