iterations/neb0_image07_iter14_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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0.4774322999999967 0.5762676200000030 0.4278606900000028
0.6378815599999967 0.6410196699999986 0.5545972600000013
0.6762224699999990 0.6208159400000000 0.4691912400000007
0.6125059499999992 0.6262458699999982 0.3023352499999987
0.5462078099999985 0.5722041499999975 0.5573276900000010
0.5272545799999975 0.5439704400000025 0.4543908400000021
0.5315447500000019 0.6313608999999971 0.4725188800000026
0.5913245400000022 0.8270371899999986 0.4521134000000018
0.5941320900000022 0.7821402900000010 0.5544713600000009
0.5600100099999992 0.7524797399999983 0.4663247299999966
0.6433780799999980 0.7527736099999984 0.2883679400000005
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0.6443768500000004 0.4180335100000008 0.3333867600000033
0.6720301499999977 0.4027479000000014 0.4849362799999994
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0.5256844399999991 0.4169774100000012 0.5613093600000028
0.5456352400000029 0.2980968199999978 0.5665483800000004
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0.6251237800000027 0.3571871700000031 0.6548873400000019
0.6275806900000021 0.2700411300000027 0.2781860199999997
0.6125031500000020 0.2211950399999978 0.3636105799999996
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