iterations/neb0_image01_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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0.3618624699999984 0.4509329099999988 0.5680720599999987
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0.5732809399999965 0.3545259799999982 0.2643010800000027
0.6280237699999986 0.3279036300000016 0.2906538699999999
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0.5095486399999984 0.3980023800000012 0.4193019000000007
0.5274495399999992 0.3865065099999967 0.5313756999999981
0.5118771799999990 0.3161176400000016 0.4662409900000029
0.5065064100000001 0.1699639699999977 0.2640378500000011
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0.7150188199999974 0.6438074699999987 0.6073729499999985
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