iterations/neb0_image08_iter40_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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0.4131814599999970 0.4833254799999978 0.7229383700000014
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0.6070465399999989 0.7415654799999984 0.4983713299999977
0.6426786700000022 0.6636231600000002 0.4236305900000019
0.8148765999999981 0.7611837500000007 0.4376259200000021
0.4978114000000033 0.5969187500000004 0.2549561200000028
0.8101868500000009 0.8463533299999995 0.2063087599999989
0.2088189899999975 0.2644923900000009 0.2242690300000021
0.6327297599999966 0.4446028899999988 0.6574034900000001
0.5339330300000000 0.8317149000000015 0.3466666200000006
0.5365880000000018 0.7938412600000007 0.4513536299999998
0.5023373399999969 0.7647199600000008 0.3642583199999976
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0.6347659500000020 0.8509631800000008 0.4096915100000018
0.5844573800000035 0.4184200400000009 0.2251281200000008
0.6265518000000014 0.3946394100000035 0.3980319300000019
0.4668757099999965 0.2982121000000006 0.3026288499999978
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0.4832859300000010 0.4264167500000013 0.5718592899999990
0.4848904700000034 0.2943821000000000 0.4748472799999988
0.5411157300000013 0.4347401699999978 0.5696955000000017
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0.5440997999999979 0.2225830799999997 0.2399738700000000
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