iterations/neb0_image04_iter25_CONTCAR output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
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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0.1992031699999970 0.3703448199999997 0.3760427699999980
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0.5677555099999978 0.3690856099999991 0.2635042499999969
0.6225234999999998 0.3424448000000027 0.2897859099999991
0.6095224399999992 0.2745292099999972 0.4769633700000000
0.5043891199999990 0.4118036899999993 0.4182250400000029
0.5219682899999967 0.4008112599999976 0.5304901299999969
0.5064587199999977 0.3301507400000006 0.4655851699999971
0.5010453299999966 0.1844687700000023 0.2633367299999989
0.5010253900000023 0.2617241900000025 0.2046008299999968
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0.5876897099999994 0.2072398700000022 0.1528517200000010
0.6707675299999991 0.4619457100000020 0.5407366900000028
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0.6121725499999968 0.6615240599999979 0.6039698100000024
0.6233352300000021 0.5463940899999997 0.6590458599999991
0.5595349600000006 0.6247448599999998 0.4157024900000010
0.6262989700000006 0.6942474800000014 0.4259902200000028
0.6039323199999984 0.5677158599999999 0.2682958899999974
0.6520174200000000 0.6097075300000014 0.2742370899999997
0.7138483600000001 0.5821005199999973 0.6516424499999971
0.7094882399999989 0.6583472900000018 0.6067171099999982
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