iterations/neb0_image05_iter71_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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0.1128231599999978 0.4373664399999981 0.2777808700000008
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0.0969493099999994 0.5964337500000028 0.2778446399999979
0.3731878800000032 0.5613778499999995 0.2535067199999972
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0.3580860799999996 0.4884016299999985 0.6003041700000011
0.5168795000000017 0.5999490399999985 0.3293534800000018
0.5733779099999978 0.5520619799999977 0.5499007000000020
0.6322109899999973 0.6326858899999976 0.5760832699999980
0.6510195800000034 0.5893408600000001 0.4751948899999974
0.6355714999999975 0.6341791400000005 0.3094838900000028
0.5067261100000024 0.5250028199999974 0.4793452999999985
0.4722269199999971 0.5806483000000000 0.3500115300000033
0.5249532500000029 0.6596765000000033 0.4413808999999986
0.6026716100000016 0.8220524799999964 0.4708931500000020
0.6039766600000007 0.7764893000000015 0.5748381699999996
0.5711690300000001 0.7475453500000029 0.4844212400000032
0.6540485599999997 0.7513136000000031 0.3176167199999966
0.6960561200000015 0.7935973100000027 0.5166205399999981
0.6561005100000017 0.4154845099999989 0.3455440700000025
0.6796454199999999 0.4015519399999974 0.4994163499999971
0.5381485699999971 0.2871898300000026 0.4065530999999964
0.5706412500000013 0.3605686699999993 0.2977899300000004
0.5386850900000013 0.4200821700000006 0.5707984599999989
0.5561596499999979 0.2976227500000022 0.5869019499999979
0.6166800100000032 0.4180077500000010 0.6690156900000019
0.6293426000000011 0.3622292800000011 0.6687243699999996
0.6454104600000008 0.2714492500000034 0.2959088599999973
0.6287966299999965 0.2223531100000002 0.3978378999999990
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