iterations/neb0_image03_iter38_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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0.4418744299999986 0.4754227600000007 0.3477718600000017
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0.6502718999999999 0.7244916399999966 0.4534370699999997
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0.3066847500000023 0.4774399699999989 0.5470626500000009
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0.4681460199999989 0.5780598400000017 0.4124484299999978
0.6484911900000014 0.6392363000000003 0.5713985699999995
0.6869354099999967 0.6196146699999971 0.4858896900000005
0.6227612500000035 0.6242182599999992 0.3189580100000029
0.5565349199999972 0.5708586300000036 0.5745041799999981
0.5358685100000002 0.5418797000000026 0.4703313799999975
0.5417632099999992 0.6293415299999978 0.4896814900000024
0.6016651500000023 0.8252976799999985 0.4687721399999987
0.6045415800000029 0.7804745500000010 0.5712350499999985
0.5704034600000014 0.7507975799999969 0.4832796299999984
0.6539006000000001 0.7509850499999970 0.3047386799999998
0.6979745300000033 0.8010298900000024 0.5139865599999993
0.6546783599999983 0.4162599900000004 0.3504343800000029
0.6825464300000021 0.4009824099999975 0.5021671800000007
0.5364722599999965 0.2882496000000003 0.4096244099999993
0.5700586099999967 0.3628327999999996 0.2972608700000023
0.5356939899999986 0.4146354200000033 0.5787150399999987
0.5562166699999977 0.2956685699999966 0.5836258599999979
0.6147591599999984 0.4330568499999998 0.6733292799999973
0.6354017099999965 0.3555798599999989 0.6719631899999996
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0.6224366499999974 0.2190106700000030 0.3796437999999966
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