iterations/neb0_image02_iter49_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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0.4669499999999971 0.5783459499999992 0.4098488599999968
0.6512256399999998 0.6387576899999985 0.5757028199999965
0.6894198800000026 0.6190698400000016 0.4898379500000019
0.6253249000000025 0.6236524400000008 0.3235907099999977
0.5585740300000026 0.5700419300000021 0.5777672099999975
0.5371019899999965 0.5418325400000015 0.4737638399999966
0.5440520300000031 0.6289845900000017 0.4935585500000030
0.6043555899999973 0.8249129299999964 0.4731973900000028
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0.7005788800000019 0.8003784899999999 0.5179636499999987
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0.5591397099999966 0.2951429399999981 0.5876735300000036
0.6172345199999967 0.4321376999999984 0.6775104499999998
0.6377655900000008 0.3553394799999978 0.6760799099999986
0.6403448299999965 0.2674209400000009 0.2984990100000005
0.6251681999999974 0.2180907500000018 0.3837450600000025
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