./iterations/neb0_image08_iter7_CONTCAR output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
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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0.3670908599999976 0.4686456199999967 0.5566784900000030
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0.6318568599999992 0.7177484099999987 0.5054070400000015
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0.4333158399999988 0.5897032299999978 0.4068961500000015
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0.2445728100000011 0.4466298099999975 0.3688458800000021
0.1895557300000021 0.4553765300000023 0.3827141699999999
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0.1221623899999997 0.4954816099999988 0.6844391200000004
0.6528235999999978 0.5939390799999984 0.3704082200000016
0.6186223200000001 0.6129881000000026 0.2780607300000000
0.5298576200000014 0.6393652399999965 0.3787990000000008
0.6194123499999975 0.4912059400000004 0.5066937400000029
0.5611956400000011 0.4822236400000008 0.5243275500000024
0.5882307400000002 0.5582696399999989 0.5536277499999969
0.6266076200000015 0.7705180800000022 0.5235986200000013
0.6674436799999981 0.7063431300000005 0.5147835400000034
0.6128969399999988 0.6871891799999972 0.5531981000000030
0.5484296799999981 0.7614957400000009 0.3737911699999970
0.6593829799999966 0.7857394999999983 0.3434358700000004
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0.5998583399999973 0.4409175400000009 0.1716607999999979
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0.6469798500000010 0.3274718500000020 0.4148602200000013
0.6414860699999991 0.2499758000000014 0.2892549600000009
0.6920012100000008 0.4084103499999969 0.2965525199999988
0.6817302500000011 0.3705558199999999 0.1988104400000026
0.4934457900000027 0.2705927499999987 0.1877549800000011
0.5330230000000000 0.2118917800000020 0.1947849000000019
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