iterations/neb0_image07_iter35_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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0.4858937999999995 0.5596476999999993 0.3170112600000010
0.4256309499999986 0.5857522599999996 0.3732398399999965
0.6381443800000000 0.6419874699999966 0.5473706100000015
0.6847765099999990 0.6289028999999999 0.4672824299999974
0.6061243300000001 0.6242561400000000 0.2996763399999978
0.5632209099999983 0.5892722999999975 0.5988997400000002
0.5682399399999980 0.5256404599999982 0.5007821100000029
0.5380483900000002 0.6214674300000027 0.4849323500000011
0.5883700799999971 0.8272711500000014 0.4466899999999967
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0.6847252399999988 0.8051502499999970 0.4922910000000016
0.6411869699999997 0.4184049099999996 0.3278896400000022
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0.5232293600000020 0.4173356299999966 0.5622641499999972
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0.6240539400000031 0.2703339099999980 0.2722031300000012
0.6088299199999980 0.2207559300000028 0.3563448199999968
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