./iterations/neb0_image03_iter15_CONTCAR output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
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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0.1126039099999971 0.4712778700000015 0.6864564099999981
0.6623250399999989 0.6180610799999968 0.3684840499999993
0.6281661000000014 0.6371918099999974 0.2760537799999980
0.5381771099999995 0.6590383699999975 0.3769508199999976
0.6289619100000010 0.5154065299999999 0.5047582400000010
0.5707378099999971 0.5064333500000018 0.5223537899999968
0.5977678900000001 0.5824897399999998 0.5516220700000005
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0.6689590599999988 0.8099522400000012 0.3414600799999974
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0.7015625599999993 0.4325856600000009 0.2945458499999987
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0.5029898399999979 0.2947916999999975 0.1857070000000007
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