iterations/neb0_image04_iter75_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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0.4762100700000005 0.5769098099999965 0.4237644700000018
0.6459639899999985 0.6397114199999976 0.5683749900000024
0.6826091800000000 0.6179064399999987 0.4820135000000008
0.6211271900000028 0.6257230900000010 0.3152814600000013
0.5521483899999993 0.5684672699999993 0.5640904099999986
0.5281123600000015 0.5450427600000012 0.4610789999999980
0.5380883600000033 0.6316263200000023 0.4835501900000025
0.5995633200000015 0.8252046699999980 0.4651763299999985
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0.6514094099999994 0.7514045699999983 0.3020305699999994
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0.6524978599999969 0.4163790300000016 0.3464884099999992
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0.5344892099999967 0.2881793600000009 0.4058100499999995
0.5679627499999995 0.3628314799999970 0.2937371000000013
0.5336937499999976 0.4161675499999973 0.5733083300000033
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0.6359307700000016 0.2687291499999986 0.2916270500000024
0.6208340499999991 0.2200150399999998 0.3775568599999986
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