iterations/neb0_image03_iter37_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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0.6868530200000009 0.6194114600000020 0.4859642400000013
0.6228328500000018 0.6242564799999997 0.3190337999999997
0.5564347999999981 0.5706370799999974 0.5738929600000020
0.5353970500000003 0.5421284399999990 0.4697763899999998
0.5417057499999984 0.6294623400000035 0.4895120099999986
0.6017058999999989 0.8252521699999988 0.4688635700000034
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0.5561930499999974 0.2957922399999973 0.5835860899999972
0.6148660599999971 0.4331287199999991 0.6734407100000013
0.6355151599999971 0.3554391500000023 0.6719636300000005
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0.6225712999999971 0.2191100200000022 0.3798568500000030
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