iterations/neb0_image08_iter13.sci output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
#MD System 2.0
@Title neb0_image08
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
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Name string {{}}
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@data
6 {} {0.362230485401 0.525607680308 0.423581244689} C1 1 1
14 {} {0.343329260597 0.49249060375 0.534604979509} Si1 2 1
14 {} {0.416066616139 0.570726631043 0.418536145664} Si2 3 1
8 {} {0.346648897341 0.55272769305 0.60984040737} O1 4 1
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6 {} {0.375008269612 0.41655782032 0.569979826382} C2 6 1
6 {} {0.464779560921 0.515207560279 0.411266877212} C3 7 1
8 {} {0.419051976687 0.61237392301 0.515173176885} O3 8 1
8 {} {0.417255271815 0.620129239947 0.330049511286} O4 9 1
14 {} {0.23808961582 0.476094779922 0.557247525084} Si3 10 1
7 {} {0.218482086247 0.397375546046 0.588713961751} N1 11 1
14 {} {0.182441406815 0.393092940701 0.680578073016} Si4 12 1
14 {} {0.234081720236 0.327347411251 0.524684014154} Si5 13 1
7 {} {0.235302438867 0.339680013502 0.411066920747} N2 14 1
7 {} {0.134899583613 0.441376186766 0.67342402737} N3 15 1
1 {} {0.362000238491 0.48516982341 0.373507519216} H1 16 1
1 {} {0.337352565265 0.562560081631 0.401544468761} H2 17 1
1 {} {0.370396657783 0.584929539964 0.59678684657} H3 18 1
1 {} {0.371672197693 0.375528448126 0.521523731847} H4 19 1
1 {} {0.362350107195 0.398467176881 0.634494021572} H5 20 1
1 {} {0.410727077173 0.427506381581 0.578302393217} H6 21 1
1 {} {0.497693017829 0.538318033486 0.412700646106} H7 22 1
1 {} {0.463720109699 0.482601164482 0.353236263269} H8 23 1
1 {} {0.463969338251 0.483246734945 0.469769920888} H9 24 1
1 {} {0.444484991846 0.641445370975 0.52463300007} H10 25 1
1 {} {0.446267578954 0.62746776899 0.303062473552} H11 26 1
1 {} {0.232354556928 0.521781283906 0.635227268897} H12 27 1
1 {} {0.212621204563 0.502698190846 0.479529018737} H13 28 1
1 {} {0.169577427521 0.321401571579 0.688709137183} H14 29 1
1 {} {0.205493669612 0.417449980434 0.762441954427} H15 30 1
1 {} {0.279995614063 0.305721522974 0.549630287293} H16 31 1
1 {} {0.200940738944 0.274003177687 0.545044957241} H17 32 1
1 {} {0.261719459438 0.363784037324 0.383204568157} H18 33 1
1 {} {0.206811488681 0.350456083678 0.377151458327} H19 34 1
1 {} {0.134743430419 0.488996928865 0.697127481557} H20 35 1
1 {} {0.112253064652 0.435452458533 0.623590936827} H21 36 1
6 {} {0.579596530144 0.357167196363 0.30825647205} C4 37 1
14 {} {0.576194843285 0.389356087935 0.425660328418} Si6 38 1
14 {} {0.563620444442 0.268108866352 0.29042365212} Si7 39 1
8 {} {0.60467659533 0.341098075919 0.493744100789} O5 40 1
8 {} {0.597165193299 0.465599893066 0.430245437185} O6 41 1
6 {} {0.518284706479 0.393530978834 0.464897128642} C5 42 1
6 {} {0.502710834757 0.257480183457 0.266788739445} C6 43 1
8 {} {0.57891082389 0.229424279636 0.384653937097} O7 44 1
8 {} {0.593308969906 0.23118578684 0.210498934459} O8 45 1
14 {} {0.641026994836 0.51038857396 0.458913347504} Si8 46 1
7 {} {0.62560899582 0.591478457374 0.486253828199} N4 47 1
14 {} {0.632141118167 0.619333644083 0.596341936759} Si9 48 1
14 {} {0.601711980985 0.645313342641 0.407041156148} Si10 49 1
7 {} {0.612836826895 0.625979059115 0.297370210468} N5 50 1
7 {} {0.684916454374 0.63917210643 0.632891182622} N6 51 1
1 {} {0.560145687409 0.388941482928 0.262319605974} H22 52 1
1 {} {0.61488167142 0.362326244565 0.28864610862} H23 53 1
1 {} {0.601958544406 0.294263307859 0.475988500688} H24 54 1
1 {} {0.501043176481 0.423820740753 0.416120615191} H25 55 1
1 {} {0.51488087851 0.41968951796 0.528444439395} H26 56 1
1 {} {0.499083838664 0.347133995144 0.465493768853} H27 57 1
1 {} {0.493379334957 0.204370101136 0.262169325538} H28 58 1
1 {} {0.493439168409 0.281602412177 0.203399264279} H29 59 1
1 {} {0.482298251643 0.280312669762 0.31959762987} H30 60 1
1 {} {0.581596813096 0.181056315178 0.382431196493} H31 61 1
1 {} {0.580106860963 0.227067259444 0.151774129119} H32 62 1
1 {} {0.663178319744 0.481799860535 0.539731025609} H33 63 1
1 {} {0.672852275492 0.510197835552 0.38233205675} H34 64 1
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1 {} {0.55190946315 0.644450872183 0.414587343932} H37 67 1
1 {} {0.618682731092 0.71422821983 0.425042300247} H38 68 1
1 {} {0.596505536706 0.587631433844 0.267296303434} H39 69 1
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1 {} {0.70629601543 0.60186478567 0.650582147407} H41 71 1
1 {} {0.701888217318 0.678262272167 0.605499982472} H42 72 1
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