iterations/neb0_image04_iter25_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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0.4716502300000016 0.5774642399999976 0.4181292399999990
0.6457909499999985 0.6396033500000016 0.5674015100000034
0.6841085599999985 0.6194522500000019 0.4819059900000013
0.6203542900000016 0.6247880600000002 0.3150087300000024
0.5537702800000019 0.5707522299999965 0.5688245099999989
0.5323638400000021 0.5429728699999998 0.4648067299999994
0.5390844200000018 0.6302295799999982 0.4850543800000011
0.5991827599999979 0.8256376499999973 0.4648053200000035
0.6019941300000013 0.7807354700000033 0.5671378300000001
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0.6512608800000024 0.7513529000000005 0.3010271699999976
0.6954855299999991 0.8011656700000032 0.5098139999999987
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0.6799219500000007 0.4012551699999989 0.4977301199999999
0.5340415000000007 0.2882540299999974 0.4052684600000021
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0.6124816199999970 0.4334790400000017 0.6693046400000000
0.6329403599999992 0.3558166999999983 0.6675750699999980
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0.6203289299999994 0.2196969399999986 0.3762782900000019
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