iterations/neb0_image06_iter28_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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0.3711969200000027 0.4264841299999986 0.5694256600000003
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0.5639844900000028 0.3790070700000001 0.2631521899999996
0.6187871400000020 0.3523015999999970 0.2889973799999979
0.6058943299999981 0.2840725399999968 0.4766124000000005
0.5020461299999965 0.4187385099999972 0.4166839999999965
0.5184485799999976 0.4099496299999998 0.5298418100000006
0.5032130999999964 0.3380982500000016 0.4660839399999972
0.4972478600000017 0.1943556299999969 0.2627335299999984
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0.5839155099999971 0.2170918999999998 0.1522901299999972
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0.6224770000000035 0.7041685399999977 0.4254545800000002
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0.7057123800000014 0.6682284600000017 0.6062076600000026
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