iterations/neb0_image08_iter8_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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0.2729730399999966 0.3956340599999990 0.2867598799999982
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0.4531159699999989 0.4711035999999993 0.3676347199999981
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0.2678181100000003 0.3726355699999999 0.3525769700000012
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0.1272246999999993 0.4368189400000020 0.2990851200000009
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0.4796417599999998 0.4221331299999989 0.4227152899999993
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0.3201268999999982 0.4751356900000019 0.5687054699999976
0.3675707700000004 0.4889939099999978 0.6235098599999986
0.4990271400000026 0.5678898199999978 0.3312324799999971
0.4761703300000022 0.5764506800000007 0.4270657900000003
0.6350240900000017 0.6415095699999966 0.5499201700000000
0.6734164200000023 0.6213912300000004 0.4645874200000009
0.6096673400000014 0.6268199200000026 0.2977563299999986
0.5438063699999987 0.5728640499999997 0.5550195100000010
0.5299053999999970 0.5433677700000032 0.4544317200000023
0.5292707199999995 0.6315368200000009 0.4684176100000030
0.5884835399999986 0.8275692200000009 0.4475163199999983
0.5912998700000003 0.7826570399999966 0.5498675500000019
0.5571715299999980 0.7530171399999972 0.4617464900000030
0.6405505199999979 0.7533051300000011 0.2837564000000015
0.6848014999999990 0.8030791699999966 0.4924480099999968
0.6415555700000013 0.4185952099999994 0.3287813199999974
0.6692178500000026 0.4033196500000003 0.4803960500000031
0.5233760599999968 0.2902775499999990 0.3880645099999995
0.5569308399999997 0.3650899200000026 0.2757171700000001
0.5229784200000012 0.4174409700000012 0.5571296700000019
0.5427988499999969 0.2985972000000032 0.5620450400000010
0.6018116500000019 0.4355685900000026 0.6522332500000019
0.6224248799999970 0.3576034199999967 0.6504318400000031
0.6246726199999983 0.2705697000000029 0.2737280600000034
0.6096068800000012 0.2218660099999994 0.3588897599999967
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