iterations/neb0_image01_iter47_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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0.2543189000000012 0.3985673500000004 0.2570901400000025
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0.6182622299999991 0.5730225200000021 0.4598035100000004
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0.1084800900000005 0.4406689699999973 0.2692039800000003
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0.0921170299999972 0.5857434999999995 0.2781415199999984
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0.4609627900000035 0.4238458299999976 0.3928778699999995
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0.4019164500000016 0.3898436099999998 0.5032416800000021
0.3013396599999965 0.4779618800000023 0.5381631699999971
0.3487071999999998 0.4926784900000030 0.5933885700000019
0.4822728700000027 0.5714619999999968 0.3008953499999976
0.4654415199999988 0.5787767200000005 0.4067327400000025
0.6538413899999966 0.6386359600000020 0.5801591199999976
0.6918315300000017 0.6189313599999977 0.4940898500000017
0.6282331199999973 0.6232005299999983 0.3276324300000013
0.5606319700000029 0.5693427699999987 0.5811039700000009
0.5389215100000015 0.5417152300000012 0.4772933899999998
0.5463064099999997 0.6285110399999994 0.4974932599999988
0.6068449300000012 0.8246221500000033 0.4773642500000008
0.6099152999999973 0.7795772600000035 0.5795540599999995
0.5754362699999973 0.7500548599999988 0.4920009599999986
0.6595514899999984 0.7500371300000026 0.3133272199999979
0.7031018599999967 0.8002153500000020 0.5228909100000010
0.6601157599999965 0.4153517600000001 0.3593464300000022
0.6878900000000030 0.3996793600000004 0.5110557599999979
0.5416847500000017 0.2875709300000011 0.4179603999999983
0.5753759999999986 0.3619477800000013 0.3054455799999971
0.5408603999999997 0.4129706399999975 0.5866531799999990
0.5617345799999995 0.2944185200000007 0.5914872399999993
0.6200092899999987 0.4322567500000005 0.6813539600000027
0.6406525100000025 0.3546332299999975 0.6805290400000032
0.6426282999999984 0.2672252300000011 0.3028138100000035
0.6276276600000017 0.2179138199999997 0.3880696599999993
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