iterations/neb0_image03_iter43_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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0.6485480899999985 0.6392953000000006 0.5712398900000011
0.6871012900000011 0.6200142900000003 0.4857433299999983
0.6226195599999969 0.6241418099999976 0.3188107100000011
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0.5367888800000031 0.5413885500000006 0.4714260599999989
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0.5562620999999979 0.2954235999999995 0.5837066799999988
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0.6372791300000031 0.2682983099999987 0.2940972900000034
0.6221687199999977 0.2188259599999967 0.3792103099999977
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