iterations/neb0_image05_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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0.2648768899999965 0.3970959299999990 0.2736850300000029
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0.3582764900000015 0.5395054800000025 0.3567648699999992
0.4471178699999996 0.4747592599999990 0.3568611399999995
0.3726270200000030 0.4223378599999990 0.4812896999999978
0.6081617199999982 0.5749004500000012 0.4426223099999973
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0.6381225200000031 0.4220889899999989 0.4386460899999989
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0.1191474099999965 0.4383114299999988 0.2859686600000018
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0.3746818999999988 0.5594682300000002 0.2669255200000009
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0.4715059099999976 0.4229291799999970 0.4099167700000024
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0.3412020499999997 0.3732149399999969 0.4409188999999998
0.4121521000000001 0.3881307799999973 0.5204197899999983
0.3119113699999971 0.4766764199999969 0.5556276300000036
0.3595380499999976 0.4906111000000024 0.6106016900000029
0.4921390000000017 0.5693859399999965 0.3174386299999981
0.4738322199999985 0.5770339800000031 0.4217687299999966
0.6431782900000016 0.6400757600000020 0.5631544200000036
0.6815155099999970 0.6198943699999973 0.4776923900000014
0.6177564999999987 0.6252629600000006 0.3108440999999971
0.5512833399999977 0.5712553099999980 0.5649664399999992
0.5302541699999992 0.5433548600000009 0.4609952599999971
0.5365534299999979 0.6306931800000015 0.4809138199999978
0.5965849000000034 0.8260873099999984 0.4606200400000020
0.5993976199999977 0.7811922899999999 0.5629779300000024
0.5652802800000032 0.7515242599999965 0.4748440600000023
0.6486486900000017 0.7518053499999979 0.2968468299999998
0.6928961300000012 0.8016137400000005 0.5055737599999972
0.6496354599999989 0.4170699800000008 0.3419024399999984
0.6772923700000035 0.4017784400000011 0.4934602699999999
0.5314622699999987 0.2887316999999996 0.4011465099999967
0.5650548899999990 0.3635348999999977 0.2887748400000021
0.5308621300000027 0.4160039499999968 0.5696731399999990
0.5509067799999983 0.2971250100000020 0.5750010100000011
0.6098482100000027 0.4338805399999970 0.6651548899999966
0.6302938500000010 0.3562845499999980 0.6633394400000014
0.6328346000000025 0.2690713499999973 0.2866421700000004
0.6177469499999972 0.2201594300000025 0.3721147600000023
0.00000000E+00 0.00000000E+00 0.00000000E+00
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