iterations/neb0_image04_iter57_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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0.2627379899999980 0.3968974799999998 0.2711618299999969
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0.6467539799999997 0.6405139599999998 0.5662462700000006
0.6862960099999995 0.6222449500000025 0.4814666999999986
0.6187254600000003 0.6239549900000014 0.3148341799999983
0.5573302399999989 0.5744799400000034 0.5769537999999983
0.5376169099999970 0.5392631499999965 0.4750330099999971
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0.6508590899999973 0.7514980300000005 0.2990264499999995
0.6948824799999969 0.8024375500000005 0.5095375300000029
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0.5326267700000002 0.4144457399999979 0.5740087699999989
0.5534972900000028 0.2961540900000017 0.5780243999999968
0.6117400899999978 0.4338418399999995 0.6679244500000010
0.6325171699999999 0.3561663699999968 0.6670307500000021
0.6343620099999967 0.2686397700000001 0.2887507499999984
0.6189872100000002 0.2194508899999974 0.3736455000000021
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