iterations/neb0_image09_iter54_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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0.4006848800000000 0.5991589899999994 0.3438919399999989
0.6422659799999977 0.6471560100000033 0.5369608000000028
0.6905798700000005 0.6418324899999988 0.4656913099999969
0.5961015500000002 0.6240581599999970 0.2970806800000005
0.5734882400000032 0.6031321099999971 0.5991266999999993
0.5726931199999967 0.5245756699999973 0.5309964799999989
0.5374852799999985 0.6057178699999994 0.4926304199999976
0.5826556600000004 0.8269989300000020 0.4362040299999990
0.5852700599999991 0.7833458799999988 0.5387144199999980
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0.6334192099999996 0.7549683900000019 0.2690714399999976
0.6795563399999978 0.8104722400000028 0.4835791699999987
0.6351066399999965 0.4173510099999973 0.3175624300000024
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0.5170401499999997 0.2906992099999997 0.3778427800000017
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0.5192240800000008 0.4184932799999999 0.5585188599999995
0.5367532100000005 0.2987297199999972 0.5518161500000005
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0.6179359899999994 0.2714918300000022 0.2620261699999986
0.6027135100000010 0.2216856499999977 0.3464080400000000
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