iterations/neb0_image01_iter21_CONTCAR output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
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
0.3492552399999980 0.5598389299999980 0.4216322600000026
0.3618626800000015 0.4508848899999975 0.5681003300000000
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0.4044716699999995 0.6020239899999993 0.4173611499999978
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0.1693041300000004 0.4274883699999990 0.6786777399999977
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0.2486114299999969 0.3981926599999994 0.3812048599999969
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0.1216208100000031 0.5234732600000029 0.6952121799999986
0.0991479300000009 0.4698448899999974 0.6217595900000035
0.5732825300000002 0.3545522699999992 0.2642797999999971
0.6280334400000029 0.3279011300000008 0.2906408400000018
0.6150081500000013 0.2601490200000001 0.4777233200000026
0.5095085199999971 0.3981054500000027 0.4192763799999994
0.5274182799999991 0.3865076399999978 0.5313440400000005
0.5118617700000030 0.3161964000000026 0.4661193700000013
0.5065592199999998 0.1699207099999995 0.2641198299999985
0.5065640600000023 0.2471964900000003 0.2053889199999972
0.4954242499999992 0.2459223899999969 0.3215354599999998
0.5947966499999993 0.1467446199999998 0.3842951199999973
0.5932816999999986 0.1927162300000020 0.1537286300000034
0.6763204499999986 0.4474504200000027 0.5414954700000010
0.6859985299999991 0.4758039299999979 0.3841700099999983
0.6177722299999999 0.6469293099999973 0.6048459200000025
0.6289189600000000 0.5319215299999982 0.6598507900000001
0.5650234299999966 0.6101828799999964 0.4165970299999984
0.6318836000000019 0.6797241700000001 0.4268494800000013
0.6095328199999983 0.5533371100000011 0.2692535500000020
0.6575482100000016 0.5951636400000027 0.2750872900000019
0.7194639800000004 0.5674624899999969 0.6525148200000004
0.7150322099999968 0.6438096400000006 0.6075279399999971
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