iterations/neb0_image07_iter73_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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0.6832946700000022 0.6301705999999996 0.4680611499999969
0.6059771099999978 0.6253798899999978 0.3033063900000030
0.5628673300000031 0.5874477799999980 0.5785475899999994
0.5440131000000008 0.5343001399999991 0.5014790899999966
0.5347650799999997 0.6191172899999984 0.4886410100000020
0.5894862500000002 0.8256985700000001 0.4468159899999975
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0.5587404300000003 0.7515062100000023 0.4610077399999994
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0.6016695499999969 0.4344252300000022 0.6532552700000025
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0.6087396799999993 0.2208357599999999 0.3571664500000011
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