iterations/neb0_image01_iter59_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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0.6183190699999983 0.5730993600000005 0.4601139500000002
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0.6487064299999972 0.4206612699999965 0.4564847799999967
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0.3012020899999968 0.4775785499999969 0.5377655099999998
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0.4823178500000012 0.5712548799999979 0.3012351499999966
0.4656918599999997 0.5787011700000022 0.4070996000000022
0.6539908399999987 0.6390853999999990 0.5803029699999982
0.6918344099999985 0.6191071800000003 0.4938844799999984
0.6283544899999995 0.6230285600000016 0.3279684800000027
0.5606814200000017 0.5694299099999967 0.5813215499999984
0.5390530800000022 0.5414546399999978 0.4775546700000035
0.5462950599999985 0.6284554300000025 0.4973404500000029
0.6067250799999968 0.8248454900000013 0.4772409300000007
0.6100937499999972 0.7796528900000013 0.5789533399999982
0.5753878000000014 0.7502637099999987 0.4919325400000005
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0.7029760699999983 0.8006157700000003 0.5234741599999992
0.6602399599999984 0.4155490600000036 0.3597357200000033
0.6878505000000033 0.3996735899999990 0.5113144999999975
0.5415601999999993 0.2879706100000021 0.4182194099999990
0.5753766300000009 0.3623145600000015 0.3055902199999991
0.5406959199999974 0.4123271699999975 0.5868017499999993
0.5620196699999980 0.2940924500000008 0.5913973999999982
0.6198597200000009 0.4322210200000001 0.6811948000000001
0.6406260199999991 0.3547131500000020 0.6806948199999994
0.6424144599999977 0.2672529499999996 0.3023506700000027
0.6273037200000005 0.2179932700000009 0.3873856499999988
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