iterations/neb0_image04_iter23_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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0.5712057599999980 0.2482609799999977 0.2915479899999980
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0.4386897700000034 0.6472766899999982 0.3017650399999994
0.2247683000000009 0.5416374300000015 0.6340624099999985
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0.1620075000000014 0.3412638499999971 0.6876671099999996
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0.2540985999999990 0.3836217799999986 0.3821311800000018
0.1992037199999999 0.3703469299999966 0.3760446499999972
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0.1046758800000021 0.4553232700000009 0.6225245999999984
0.5677530500000003 0.3690816100000021 0.2634887600000013
0.6225189099999966 0.3424467500000006 0.2898002800000015
0.6095137100000017 0.2745541600000010 0.4769550800000033
0.5044142200000010 0.4117738500000030 0.4182489599999997
0.5219661900000006 0.4008317999999989 0.5304954400000028
0.5064407099999997 0.3301446799999965 0.4655671100000021
0.5010438600000029 0.1844736099999977 0.2633355899999970
0.5010255899999976 0.2617181999999971 0.2046009700000013
0.4898919099999972 0.2604265299999966 0.3207588400000034
0.5892601500000012 0.1612191299999992 0.3834724900000026
0.5876928100000001 0.2072383799999997 0.1528517100000002
0.6707653500000035 0.4619592100000034 0.5407264400000003
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0.6121795099999972 0.6614892400000016 0.6039589100000029
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0.5595080599999989 0.6247535099999979 0.4156887999999981
0.6263037299999965 0.6942779399999992 0.4259753300000000
0.6039697599999982 0.5677884400000011 0.2683413600000009
0.6519691000000023 0.6097007099999985 0.2742528500000034
0.7138718699999984 0.5820435099999983 0.6516668100000018
0.7095064900000025 0.6583984800000025 0.6066761800000009
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