./iterations/neb0_image04_iter36.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
#MD System 2.0
@Title neb0_image04
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.363668966756 0.561097103504 0.413005628914} C1 1 1
14 {} {0.340484360209 0.534512656581 0.523496316335} Si1 2 1
14 {} {0.425315446943 0.571524620378 0.40871190472} Si2 3 1
8 {} {0.353700132079 0.591360855533 0.599435964773} O1 4 1
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8 {} {0.438330745516 0.606648118193 0.507604391174} O3 8 1
8 {} {0.43797043009 0.623320321599 0.325792774854} O4 9 1
14 {} {0.235164105188 0.537468555644 0.55769844365} Si3 10 1
7 {} {0.21551203389 0.459346720574 0.591888800416} N1 11 1
14 {} {0.193104636922 0.451037423581 0.699366018256} Si4 12 1
14 {} {0.216039793224 0.39165521311 0.51685411789} Si5 13 1
7 {} {0.209937565976 0.412671766389 0.406316025517} N2 14 1
7 {} {0.142638661437 0.489987247772 0.719706155782} N3 15 1
1 {} {0.353877536884 0.52537155547 0.360468351579} H1 16 1
1 {} {0.348309288136 0.609597976308 0.395826476286} H2 17 1
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1 {} {0.446559442377 0.466592744871 0.330913544116} H8 23 1
1 {} {0.449782862627 0.455482019341 0.448467828426} H9 24 1
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1 {} {0.469841676838 0.623175547041 0.312982661191} H11 26 1
1 {} {0.233552802503 0.581672319512 0.637889321247} H12 27 1
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1 {} {0.259309832539 0.355050495221 0.522685441457} H16 31 1
1 {} {0.178419448573 0.347093299427 0.543526864416} H17 32 1
1 {} {0.236986791692 0.427511503163 0.370490451599} H18 33 1
1 {} {0.182017215202 0.436303112254 0.384329469099} H19 34 1
1 {} {0.141886284498 0.539659413863 0.734518376191} H20 35 1
1 {} {0.114621799406 0.476267425908 0.686087070841} H21 36 1
6 {} {0.627358680579 0.631514153497 0.350085106557} C4 37 1
14 {} {0.584248665299 0.569281920458 0.387605851671} Si6 38 1
14 {} {0.621517335532 0.719981003815 0.386611093975} Si7 39 1
8 {} {0.534698400505 0.607142090718 0.382288349166} O5 40 1
8 {} {0.584405526073 0.504845241177 0.32029842193} O6 41 1
6 {} {0.594886366695 0.537086653637 0.502475467784} C5 42 1
6 {} {0.639507720579 0.737010056224 0.503867506636} C6 43 1
8 {} {0.566631461904 0.734871558542 0.37530095324} O7 44 1
8 {} {0.649015376803 0.769546188922 0.316626438578} O8 45 1
14 {} {0.578140246357 0.44412765526 0.247601930384} Si8 46 1
7 {} {0.590747875131 0.366168924692 0.290646232232} N4 47 1
14 {} {0.54709324743 0.309676756901 0.314069314792} Si9 48 1
14 {} {0.645300619994 0.340758903095 0.315782943019} Si10 49 1
7 {} {0.686298139292 0.387015207952 0.264589230721} N5 50 1
7 {} {0.523264324178 0.266621212586 0.227031648132} N6 51 1
1 {} {0.660800074113 0.613257200878 0.368612522991} H22 52 1
1 {} {0.626292735626 0.632240905924 0.276428873413} H23 53 1
1 {} {0.538142374428 0.656228131458 0.377988721961} H24 54 1
1 {} {0.626944740499 0.510395024718 0.505545787886} H25 55 1
1 {} {0.568677452551 0.501681704363 0.522604967137} H26 56 1
1 {} {0.595744102272 0.577614581156 0.552052323216} H27 57 1
1 {} {0.634210904746 0.789772848999 0.522026586313} H28 58 1
1 {} {0.675082519583 0.725572055888 0.513264553103} H29 59 1
1 {} {0.620482334756 0.706426307952 0.551524469147} H30 60 1
1 {} {0.555923224986 0.780550737954 0.372171599428} H31 61 1
1 {} {0.666987422993 0.805087740367 0.341690200064} H32 62 1
1 {} {0.530543300879 0.442107121885 0.218724462626} H33 63 1
1 {} {0.607392725445 0.460197273428 0.170101371756} H34 64 1
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1 {} {0.649177202801 0.26936630899 0.287653878224} H38 68 1
1 {} {0.69973254659 0.427686904199 0.294920971498} H39 69 1
1 {} {0.689318916964 0.389860409411 0.197243929789} H40 70 1
1 {} {0.500949184275 0.289707355233 0.18622499968} H41 71 1
1 {} {0.540671147214 0.231083425505 0.193139870408} H42 72 1
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