iterations/neb0_image08_iter21_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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0.2730613499999990 0.3955826600000023 0.2869363000000007
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0.1744466299999985 0.5342395400000015 0.2547771099999991
0.3663212599999994 0.5382562699999980 0.3696665599999989
0.4541368800000001 0.4727913099999981 0.3676931400000001
0.3806091800000004 0.4204301199999989 0.4948293699999979
0.6021200799999988 0.5772044499999964 0.4303128399999991
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0.1106618299999980 0.5829610600000024 0.3078044399999982
0.3827341200000021 0.5579011600000001 0.2800573000000028
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0.4795956500000003 0.4226473800000008 0.4221829000000028
0.4575172300000006 0.4538782099999992 0.2708780999999973
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0.4203340999999980 0.3866990599999980 0.5335502599999984
0.3199798799999982 0.4752292599999990 0.5688243399999990
0.3677257599999990 0.4892082599999981 0.6240535399999985
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0.6350259399999985 0.6414616200000012 0.5495743899999965
0.6742715000000032 0.6218011699999977 0.4645892400000022
0.6092920800000030 0.6264467299999978 0.2978492000000017
0.5450097900000017 0.5741151900000006 0.5577199000000022
0.5294824799999986 0.5423536899999988 0.4540636799999973
0.5296686300000033 0.6311599200000018 0.4691844500000002
0.5884220700000000 0.8275509699999972 0.4473619500000012
0.5912194400000033 0.7826847099999981 0.5496903100000026
0.5570985299999975 0.7530454999999989 0.4616005099999967
0.6404450300000022 0.7532748499999968 0.2836002100000030
0.6847198099999972 0.8032047900000023 0.4923634000000021
0.6414437199999981 0.4185758799999988 0.3287210299999970
0.6691585200000034 0.4032867900000028 0.4802834400000009
0.5233255699999972 0.2902170600000034 0.3879425900000015
0.5568813100000014 0.3649794900000032 0.2757456000000005
0.5228578899999974 0.4175375000000017 0.5571497399999998
0.5426947600000034 0.2986128699999995 0.5617767299999983
0.6016431099999977 0.4352163399999966 0.6519324100000006
0.6221210799999994 0.3578293899999991 0.6501548700000015
0.6247282799999994 0.2706005399999967 0.2732888399999993
0.6096102599999966 0.2215111900000011 0.3589439499999969
0.00000000E+00 0.00000000E+00 0.00000000E+00
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