iterations/neb0_image08_iter17_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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0.5601666600000001 0.3889289700000020 0.2624402499999974
0.6149222600000002 0.3622767499999995 0.2885195300000021
0.6020331100000007 0.2940193900000025 0.4760590699999980
0.5004953400000005 0.4248431199999985 0.4156463200000005
0.5149093500000035 0.4196541600000003 0.5291013200000023
0.4992694800000024 0.3467124200000029 0.4658938299999988
0.4933953399999993 0.2043391600000035 0.2621716100000029
0.4934474000000009 0.2815806400000014 0.2034128000000024
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0.6728400399999970 0.5101526099999987 0.3823399699999968
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0.5964965499999977 0.5876041100000009 0.2673167399999983
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0.7019112300000003 0.6782370399999991 0.6055171900000005
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