iterations/neb0_image03_iter27_CONTCAR output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
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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0.4695882299999994 0.5778919700000031 0.4145861599999989
0.6483951900000022 0.6391376699999967 0.5716642800000002
0.6866516500000017 0.6189579500000022 0.4861318399999988
0.6229950900000034 0.6243420500000028 0.3192018499999989
0.5561896000000033 0.5701389600000013 0.5725286199999999
0.5343640500000006 0.5426923200000004 0.4685170099999993
0.5415703800000031 0.6297666999999976 0.4891216500000013
0.6017950499999998 0.8251390400000034 0.4690676700000012
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0.5704894699999983 0.7505787300000009 0.4833227399999984
0.6538880000000020 0.7508943699999975 0.3052440200000035
0.6980902399999991 0.8007057200000034 0.5140570699999998
0.6548340100000019 0.4161185999999972 0.3504492300000024
0.6825285899999969 0.4008038799999980 0.5019887899999986
0.5366302199999993 0.2878291899999965 0.4096119800000011
0.5702383499999968 0.3626222400000003 0.2972008400000021
0.5360620499999982 0.4149490799999995 0.5781309199999995
0.5561612099999991 0.2961167099999997 0.5835072400000030
0.6150395000000017 0.4329623499999968 0.6735667299999974
0.6354998500000022 0.3553720000000027 0.6718303899999967
0.6379929499999974 0.2681304700000027 0.2950285300000033
0.6229159900000028 0.2191887399999999 0.3804927600000028
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