iterations/neb0_image04_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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0.4590520300000023 0.5791638500000005 0.4018500199999977
0.6460843600000032 0.6400547599999982 0.5651551300000008
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0.6183608500000020 0.6236188999999968 0.3140161700000021
0.5575618499999990 0.5758082500000015 0.5827761299999992
0.5447188699999970 0.5372164400000017 0.4784356700000032
0.5410446899999997 0.6278002199999975 0.4890875399999999
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0.6011684099999997 0.7815966900000006 0.5650747700000025
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0.6946046199999998 0.8022716700000032 0.5085621699999976
0.6514648599999973 0.4173932599999972 0.3455843999999999
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0.5331975599999978 0.2893331900000007 0.4031478899999996
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0.5320002599999967 0.4143966700000021 0.5744820700000020
0.5533586199999974 0.2955727399999972 0.5775022899999982
0.6114798400000012 0.4341545300000007 0.6671085700000035
0.6324243899999971 0.3564345899999992 0.6670628500000007
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0.6183693899999980 0.2191991199999990 0.3726866599999994
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