iterations/neb0_image04_iter14_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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0.2570837700000013 0.3746079599999987 0.3352185600000013
0.2939551199999997 0.3785592699999967 0.2426360299999999
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0.1165013999999971 0.4387885000000011 0.2816901599999966
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0.0998515699999984 0.5850228199999989 0.2902424899999971
0.3720524000000012 0.5599490500000002 0.2626346200000000
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0.4688666500000025 0.4231878399999971 0.4058013799999998
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0.3385520699999987 0.3737105599999992 0.4366241500000001
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0.3092816200000001 0.4771532999999977 0.5513667499999997
0.3568964700000024 0.4910592000000022 0.6062999999999974
0.4896454800000001 0.5701172400000019 0.3135030899999975
0.4723130599999976 0.5773994600000023 0.4187263700000017
0.6457980599999971 0.6395973500000025 0.5675110600000011
0.6840027399999968 0.6193036399999983 0.4819932600000030
0.6204518400000012 0.6248528200000010 0.3150645699999970
0.5535745999999975 0.5704832400000015 0.5681118299999994
0.5317607400000028 0.5433006100000028 0.4642124100000018
0.5389899600000021 0.6302935699999992 0.4848528099999996
0.5992260499999986 0.8256090400000033 0.4649038499999989
0.6020360699999969 0.7806890600000003 0.5672479199999998
0.5679112199999992 0.7510171999999997 0.4791154699999964
0.6512914899999984 0.7513464800000023 0.3011478299999979
0.6955314400000034 0.8011173900000017 0.5098757000000020
0.6522874799999983 0.4165642899999966 0.3461871000000016
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0.5340855500000004 0.2882055099999974 0.4053671500000036
0.5676807099999976 0.3630616100000026 0.2929211000000009
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0.6329752099999979 0.3557717699999969 0.6676029699999972
0.6355002499999998 0.2685749099999981 0.2909538600000019
0.6204216400000035 0.2197252200000008 0.3764562699999985
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