iterations/neb0_image03_iter28_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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0.1138985199999993 0.4393320200000019 0.2774781299999987
0.1518343899999977 0.4171738399999967 0.1917011500000001
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0.3695268499999997 0.5605171099999993 0.2585421100000005
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0.6483971600000018 0.6391403499999981 0.5716563300000033
0.6866642499999998 0.6189706099999981 0.4861258000000035
0.6229882499999988 0.6243357700000018 0.3191987800000007
0.5562049500000015 0.5701570000000018 0.5725691499999996
0.5343849200000008 0.5426683800000021 0.4685567300000031
0.5415753199999997 0.6297543700000006 0.4891367999999972
0.6017941100000002 0.8251441700000015 0.4690641600000021
0.6046130200000022 0.7802676000000019 0.5714003599999984
0.5704868799999971 0.7505802000000017 0.4833212899999992
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0.6980877599999999 0.8007180999999974 0.5140631100000022
0.6548303900000008 0.4161206300000018 0.3504500000000021
0.6825277299999968 0.4008074699999966 0.5019895100000014
0.5366265400000003 0.2878381499999989 0.4096185900000009
0.5702352400000024 0.3626306999999969 0.2972030199999978
0.5360526600000028 0.4149401000000026 0.5781432899999999
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0.6150382100000016 0.4329990800000019 0.6735776800000011
0.6355242899999993 0.3553482100000025 0.6718458699999985
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0.6229024900000013 0.2191961300000003 0.3804575099999994
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