./iterations/neb0_image05_iter36_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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0.3613256699999994 0.4543360899999982 0.5578282800000025
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0.4270937000000004 0.5762120600000031 0.4083296700000005
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0.2180598200000006 0.3964964299999991 0.5163546499999967
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0.2389604199999980 0.4324684999999988 0.3700054500000007
0.1839732799999965 0.4412326500000034 0.3839286199999989
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0.1166014900000008 0.4811342100000005 0.6856716799999987
0.6593797999999964 0.6086305600000017 0.3686893300000023
0.6245145800000031 0.6273280300000010 0.2767709000000025
0.5378149000000008 0.6529282999999992 0.3787254799999999
0.6250731200000033 0.5053183500000031 0.5063438099999971
0.5667461900000035 0.4968500599999999 0.5227175799999983
0.5938244299999980 0.5726619300000024 0.5524803799999987
0.6322615099999993 0.7847764600000033 0.5224567200000010
0.6731317699999977 0.7205590000000015 0.5137228800000031
0.6185274799999974 0.7014293300000034 0.5520175400000014
0.5539406099999979 0.7757529499999976 0.3725317800000028
0.6650481799999994 0.8001818899999975 0.3420826999999989
0.5286192599999993 0.4372042099999973 0.2191383999999985
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0.5650504700000027 0.2540982299999968 0.3756173299999972
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0.6526249400000026 0.3418930200000005 0.4137764600000011
0.6471922500000034 0.2644172500000010 0.2880823500000034
0.6977526699999999 0.4226915899999995 0.2953337599999983
0.6873522500000036 0.3848832299999998 0.1977286600000028
0.4989371300000016 0.2847986900000024 0.1865758900000003
0.5386930900000024 0.2261554500000003 0.1936398499999967
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