iterations/neb0_image02_iter1_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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0.1009525500000024 0.4650316999999973 0.6219509599999995
0.5714397899999994 0.3593422699999991 0.2640332799999996
0.6261826200000016 0.3327199300000032 0.2903860699999967
0.6131539399999966 0.2649300699999984 0.4774999799999975
0.5077074900000014 0.4028186800000029 0.4190341099999983
0.5256083900000021 0.3913227999999975 0.5311079000000021
0.5100360300000020 0.3209339400000033 0.4659731899999997
0.5046652600000030 0.1747802599999986 0.2637700499999980
0.5047717300000016 0.2520662299999969 0.2050503800000030
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0.5928424499999991 0.1515097500000024 0.3840916899999982
0.5914131099999977 0.1974800099999996 0.1534578300000007
0.6744623700000005 0.4522129300000017 0.5412781699999982
0.6841891899999979 0.4805986100000013 0.3839894799999968
0.6159377299999989 0.6519156600000002 0.6048168200000035
0.6270830500000031 0.5367432399999998 0.6600443499999997
0.5633404700000000 0.6148481900000036 0.4164072499999989
0.6300053100000014 0.6845385800000017 0.4269312799999980
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0.6557479800000010 0.6000292700000003 0.2748378100000011
0.7175992399999984 0.5723149399999983 0.6522251199999971
0.7131776700000003 0.6486237700000004 0.6071051500000024
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