iterations/neb0_image03_iter67_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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0.1613262799999973 0.5366686999999999 0.2331350600000022
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0.3675180400000002 0.4228462900000025 0.4731059499999972
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0.1137257899999966 0.4398466999999968 0.2774304699999988
0.1515914699999996 0.4169421400000033 0.1918177599999993
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0.0976182100000003 0.5847933499999982 0.2865573899999987
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0.4664165800000006 0.5788271400000014 0.4105193700000029
0.6492431400000029 0.6398478999999995 0.5715085599999981
0.6876696699999982 0.6202773500000021 0.4860338399999975
0.6224317499999970 0.6240667200000019 0.3193529500000025
0.5577495499999969 0.5716364499999997 0.5762094500000003
0.5361583999999979 0.5409416199999981 0.4735948499999978
0.5417798300000030 0.6286524699999987 0.4904902099999973
0.6016674600000016 0.8254838300000031 0.4684438199999974
0.6048287999999999 0.7806027399999991 0.5706421800000001
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0.6540602800000030 0.7509325400000009 0.3045996099999968
0.6979660599999988 0.8018477299999986 0.5145503299999987
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0.6825635599999984 0.4008071100000024 0.5022765399999969
0.5363920599999972 0.2887377799999982 0.4102094899999997
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0.5353781399999988 0.4138346499999983 0.5788952300000005
0.5563896199999974 0.2954929899999996 0.5835908199999977
0.6143945299999984 0.4323500899999999 0.6733581700000002
0.6349772100000024 0.3562581799999975 0.6716968400000027
0.6372524299999967 0.2682683299999979 0.2935395499999984
0.6218875100000005 0.2186217200000016 0.3785100300000011
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