iterations/neb0_image04_iter23_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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0.4720086100000032 0.5774288499999969 0.4184875600000026
0.6457934199999968 0.6395987100000013 0.5674617499999997
0.6840524699999975 0.6193678699999978 0.4819520799999992
0.6204056999999992 0.6248169400000023 0.3150429499999987
0.5536638499999995 0.5706035299999996 0.5684601199999975
0.5320263300000008 0.5431399100000007 0.4644682599999967
0.5390331999999987 0.6302667100000008 0.4849458999999996
0.5992068400000008 0.8256215999999981 0.4648604599999970
0.6020168200000029 0.7807108700000001 0.5671957400000025
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0.6512772000000027 0.7513474400000035 0.3010961499999993
0.6955108300000035 0.8011465200000032 0.5098574200000030
0.6522665899999964 0.4165833799999987 0.3461906100000007
0.6799320200000025 0.4012443000000019 0.4977349400000008
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0.5676572500000034 0.3630672199999978 0.2928939099999965
0.5335036099999968 0.4154718799999984 0.5737882100000036
0.5535417400000000 0.2966485000000034 0.5791914699999978
0.6125086500000023 0.4334715600000010 0.6693651599999981
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0.6354636599999992 0.2685772099999966 0.2908914599999974
0.6203795899999989 0.2197144200000025 0.3763725900000026
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