iterations/neb0_image04_iter16_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
0.2102808699999983 0.5277699900000030 0.3182297299999988
0.2622480799999991 0.3976054600000012 0.2694128199999994
0.1320490599999999 0.4565454500000001 0.2195329799999968
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0.2641971799999965 0.4907699299999990 0.2764532899999992
0.1636006600000002 0.5362512000000024 0.2372367700000027
0.3556623699999975 0.5400153699999990 0.3525218699999968
0.4446355099999977 0.4753517600000023 0.3529875899999979
0.3700346800000034 0.4228625200000025 0.4769535300000030
0.6105533500000035 0.5742775800000004 0.4466424200000034
0.6475612600000034 0.7247184000000004 0.4495644100000007
0.6407400300000035 0.4215992700000015 0.4429537700000026
0.5758435799999972 0.3201986199999993 0.3724903100000034
0.5707110199999974 0.3661116999999976 0.5675145700000002
0.2767741199999989 0.5237852099999998 0.1785939399999990
0.3041888699999973 0.5110646199999991 0.3473504999999975
0.1880953399999967 0.5620834300000013 0.1429530099999994
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0.3903660599999981 0.4770781799999995 0.3941775699999965
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0.2181406500000023 0.5785948600000026 0.3423992600000005
0.2512806299999966 0.5439914600000009 0.1478543999999999
0.2570919899999993 0.3745893500000008 0.3352228299999993
0.2939613799999989 0.3785402500000004 0.2426712600000016
0.2354787700000003 0.3804922899999994 0.2247308000000032
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0.1165087600000021 0.4387939100000011 0.2817153700000006
0.1544505399999991 0.4167335400000027 0.1959035900000003
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0.0998626499999986 0.5850037100000023 0.2902736500000032
0.3720618700000031 0.5599524799999998 0.2626855199999980
0.3545469999999966 0.5988129200000003 0.4135473199999993
0.4688758400000026 0.4232229599999968 0.4057844499999987
0.4469562600000003 0.4580700300000018 0.2564023199999994
0.3385687999999973 0.3737140900000000 0.4366367499999981
0.4095191899999975 0.3886042000000032 0.5161764300000016
0.3092886700000008 0.4771491400000016 0.5513803300000006
0.3568946800000035 0.4910590200000016 0.6063082000000009
0.4896420999999975 0.5700814200000011 0.3135246200000026
0.4721768400000030 0.5774072500000003 0.4185011200000019
0.6457945399999971 0.6395973699999971 0.5674835100000024
0.6840084000000033 0.6193338200000014 0.4819718999999978
0.6204342199999999 0.6248448300000007 0.3150457099999997
0.5535989999999984 0.5705292000000028 0.5682793399999966
0.5319460400000011 0.5432408699999982 0.4643653199999989
0.5390135500000000 0.6302780500000011 0.4848883100000023
0.5992137599999978 0.8256187300000022 0.4648750899999996
0.6020234100000010 0.7806984699999973 0.5672301800000028
0.5678991300000007 0.7510342500000036 0.4791012000000023
0.6512838100000025 0.7513493499999981 0.3011159200000009
0.6955217800000000 0.8011278800000028 0.5098585599999979
0.6522768199999973 0.4165767200000019 0.3461801600000030
0.6799414500000012 0.4012411000000000 0.4977415399999998
0.5340757900000028 0.2882178999999994 0.4053382299999981
0.5676662799999974 0.3630632200000008 0.2929010699999992
0.5335197799999989 0.4154837800000024 0.5737734300000028
0.5535422499999996 0.2966470100000009 0.5792041300000008
0.6125194600000015 0.4334709999999973 0.6693842999999973
0.6329715299999989 0.3557797100000002 0.6676005400000022
0.6354812300000034 0.2685796299999978 0.2909173400000000
0.6203976500000010 0.2197219099999970 0.3764163900000028
0.00000000E+00 0.00000000E+00 0.00000000E+00
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