iterations/neb0_image04_iter68_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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0.3702106599999979 0.4223029699999969 0.4781360699999979
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0.4697223599999987 0.4244645699999978 0.4049549499999969
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0.3094890200000009 0.4765478799999983 0.5518160000000023
0.3571193000000008 0.4908608799999996 0.6068099100000026
0.4893668300000016 0.5690381799999997 0.3110394200000002
0.4663234599999981 0.5794703700000028 0.4115920899999992
0.6469932099999980 0.6406744000000018 0.5668707700000013
0.6854482600000011 0.6213631099999972 0.4816432699999993
0.6191718800000032 0.6245350200000033 0.3150990299999989
0.5564353600000018 0.5730249400000034 0.5737659799999975
0.5344253000000023 0.5406058900000019 0.4728227100000026
0.5393269500000031 0.6286770099999970 0.4871448199999975
0.5988494500000030 0.8257883200000009 0.4635107000000005
0.6017626699999994 0.7809879699999982 0.5659229800000034
0.5675601700000001 0.7512530799999979 0.4779357299999987
0.6509480100000005 0.7514779899999979 0.2997053300000019
0.6950883000000019 0.8023160899999979 0.5097658700000025
0.6520193400000025 0.4166595800000010 0.3458584899999977
0.6796855999999991 0.4005898500000029 0.4973514499999965
0.5336647499999998 0.2889157600000019 0.4045505699999978
0.5671930199999977 0.3636075200000022 0.2921836399999975
0.5327917999999983 0.4148668899999990 0.5736454199999983
0.5535437999999999 0.2961970500000035 0.5783341899999996
0.6119947899999971 0.4335708199999999 0.6684827500000026
0.6326479800000016 0.3561881799999966 0.6671434200000022
0.6346806600000008 0.2687186200000014 0.2892900000000012
0.6193264099999993 0.2195774099999994 0.3745288100000010
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