iterations/neb0_image06_iter50_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
0.2166128200000017 0.5265778099999991 0.3281078799999975
0.2688031100000003 0.3960375999999997 0.2804831500000020
0.1385542299999969 0.4553096300000021 0.2296504799999965
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0.2704477300000008 0.4894114800000011 0.2865579099999991
0.1699957299999966 0.5350146400000000 0.2475202999999979
0.3614036299999981 0.5391463999999999 0.3623331200000024
0.4468328299999982 0.4722770300000008 0.3516467600000013
0.3760279299999993 0.4211218299999970 0.4876114799999982
0.6086475399999998 0.5771266599999976 0.4414829999999981
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0.3004841300000010 0.3769691099999974 0.2536583899999982
0.2420153099999993 0.3793681800000002 0.2355896199999989
0.1119909299999975 0.4617348800000016 0.1798063499999998
0.1229295699999966 0.4379776000000035 0.2919345899999968
0.1606276899999983 0.4150656500000025 0.2062367300000005
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0.1061337399999971 0.5825895799999969 0.3016090300000016
0.3776064400000010 0.5587719500000006 0.2727992499999985
0.3612621600000026 0.5975822999999991 0.4244895699999987
0.4752061699999999 0.4290910900000000 0.4101561499999988
0.4503829800000005 0.4459826900000010 0.2592021800000026
0.3443363199999965 0.3709163999999987 0.4486296299999992
0.4159158100000013 0.3875174300000026 0.5266464799999966
0.3155358200000009 0.4761107899999999 0.5621668499999970
0.3628525600000003 0.4903276100000014 0.6171256000000014
0.4896186699999987 0.5648463500000034 0.3171575000000004
0.4560512400000007 0.5815218999999985 0.4045878599999995
0.6415925800000011 0.6414407800000035 0.5563813199999998
0.6836239699999993 0.6249316999999976 0.4735388200000017
0.6122804999999971 0.6245132000000027 0.3061222999999984
0.5571334199999995 0.5800079699999969 0.5770636900000028
0.5405864800000018 0.5366321899999988 0.4769972100000004
0.5366676100000021 0.6259560700000009 0.4833366100000021
0.5927562700000024 0.8267545599999977 0.4539825299999976
0.5957451000000020 0.7819488800000016 0.5562615300000004
0.5612726299999977 0.7524106500000016 0.4685265199999975
0.6448680000000024 0.7524285699999993 0.2895413199999979
0.6890604600000003 0.8037473600000027 0.5000954599999972
0.6457436900000033 0.4173915100000016 0.3353685399999975
0.6739975899999990 0.4017105499999971 0.4874255000000005
0.5275792600000031 0.2893255700000026 0.3952596700000015
0.5612638799999985 0.3644386200000014 0.2827529799999979
0.5270500800000022 0.4163787000000028 0.5656486399999991
0.5470557100000022 0.2974689500000025 0.5688996599999996
0.6056420199999977 0.4337742700000007 0.6591961199999972
0.6262904299999974 0.3574635700000002 0.6573911899999985
0.6288107000000025 0.2696193100000031 0.2796076999999997
0.6136327299999991 0.2200263300000032 0.3647225699999979
0.00000000E+00 0.00000000E+00 0.00000000E+00
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