iterations/neb0_image07_iter62_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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0.6478068099999987 0.6473426800000013 0.5480221500000013
0.6905923999999999 0.6389721099999974 0.4723439799999980
0.6016507000000004 0.6239075299999968 0.3037336200000027
0.5735362400000028 0.5972385900000035 0.5874018399999983
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0.5370390499999971 0.6090578100000030 0.4966471600000020
0.5878115800000003 0.8259793300000027 0.4444292399999981
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0.5419526700000006 0.2979620699999970 0.5594428899999997
0.6003543300000018 0.4345992599999988 0.6516527599999975
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0.6068006200000013 0.2206045499999973 0.3534986399999980
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