iterations/neb0_image02_iter17_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
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0.4063245500000008 0.5972165499999988 0.4177138000000014
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0.5714410300000026 0.3593708900000010 0.2640236200000032
0.6261899499999970 0.3327300999999991 0.2903967299999977
0.6131672200000011 0.2649227699999983 0.4774801900000014
0.5077112700000015 0.4028429900000035 0.4190161200000020
0.5255997900000011 0.3913267100000013 0.5311095100000003
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0.5047037100000011 0.1747502999999995 0.2638042900000030
0.5047444699999986 0.2520337600000033 0.2050820500000015
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0.6744760300000010 0.4522366200000008 0.5412947800000012
0.6841542299999972 0.4806117099999980 0.3839773400000013
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0.5632617699999969 0.6149509899999970 0.4163392800000025
0.6300256899999965 0.6845696500000003 0.4267338900000013
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0.6557650100000032 0.6000077599999969 0.2747673399999968
0.7175717800000001 0.5723581100000033 0.6522118800000030
0.7131715499999984 0.6486099099999976 0.6071855499999970
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