iterations/neb0_image04_iter5_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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0.1164911700000033 0.4387811799999994 0.2816522399999997
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0.4688569899999990 0.4231274699999972 0.4058353499999967
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0.4094790400000008 0.3886233699999977 0.5161703599999967
0.3092702799999998 0.4771587400000001 0.5513458599999979
0.3568968699999999 0.4910552999999993 0.6062826599999980
0.4896706800000032 0.5701797400000004 0.3134248900000003
0.4725120800000013 0.5774097199999986 0.4191043499999978
0.6458027600000023 0.6395981900000010 0.5675582699999993
0.6839944999999972 0.6192646300000035 0.4820254500000019
0.6204821099999975 0.6248819799999978 0.3150808500000011
0.5535449400000019 0.5704323799999997 0.5678021599999994
0.5314959299999984 0.5434007500000035 0.4640003199999967
0.5389435900000024 0.6303566200000006 0.4847931099999983
0.5992444000000035 0.8255845099999988 0.4649512299999969
0.6020550100000008 0.7806750600000001 0.5672763299999986
0.5679236599999982 0.7509896600000019 0.4791349300000007
0.6513035999999985 0.7513461300000017 0.3011910999999969
0.6955445299999994 0.8011012799999975 0.5098997600000033
0.6523031999999986 0.4165455799999975 0.3461934999999983
0.6799451199999993 0.4012207000000032 0.4977356200000003
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0.5677015999999995 0.3630625400000014 0.2929462999999970
0.5335685100000020 0.4154961200000002 0.5737531600000025
0.5535483199999973 0.2966823599999984 0.5792542299999965
0.6125444099999982 0.4334521099999975 0.6694494600000027
0.6329827699999981 0.3557577199999997 0.6676075100000034
0.6355292000000006 0.2685684499999965 0.2910034000000010
0.6204536799999971 0.2197385799999978 0.3765037800000002
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