iterations/neb0_image04_iter6.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_image04
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.354798734121 0.54544129951 0.422442164355} C1 1 1
14 {} {0.335742690943 0.512440694881 0.533477642909} Si1 2 1
14 {} {0.410007275151 0.587615865216 0.418236872054} Si2 3 1
8 {} {0.339007540437 0.572678276271 0.608734453673} O1 4 1
8 {} {0.282798996675 0.490415098503 0.525546457159} O2 5 1
6 {} {0.367391723449 0.436474830215 0.56888431624} C2 6 1
6 {} {0.459038466764 0.53008473831 0.41194170701} C3 7 1
8 {} {0.411638417114 0.631967253683 0.513340837551} O3 8 1
8 {} {0.410340419456 0.638497391487 0.330458819956} O4 9 1
14 {} {0.230514625675 0.496031058416 0.556140068466} Si3 10 1
7 {} {0.210857162704 0.417331610619 0.587589055557} N1 11 1
14 {} {0.174823795281 0.41300259681 0.679447480945} Si4 12 1
14 {} {0.226450585921 0.347303824672 0.523626805648} Si5 13 1
7 {} {0.227675745984 0.359665695393 0.410012888575} N2 14 1
7 {} {0.127302623394 0.461319642557 0.672269655264} N3 15 1
1 {} {0.354345295598 0.505013709798 0.372398768672} H1 16 1
1 {} {0.329865521559 0.582594227717 0.400431367649} H2 17 1
1 {} {0.362786324695 0.604851618641 0.595687279954} H3 18 1
1 {} {0.364065615118 0.395473203852 0.520388711578} H4 19 1
1 {} {0.354716729531 0.418411330679 0.633383489428} H5 20 1
1 {} {0.403108747519 0.447450372031 0.577169200645} H6 21 1
1 {} {0.490865712154 0.55762517164 0.411217451836} H7 22 1
1 {} {0.457643962831 0.499418390186 0.351018931437} H8 23 1
1 {} {0.460012000186 0.495933142127 0.469355118931} H9 24 1
1 {} {0.436882897461 0.661299131203 0.523614760332} H10 25 1
1 {} {0.438702484261 0.647270114789 0.301688398219} H11 26 1
1 {} {0.224723196486 0.541710777025 0.634151593597} H12 27 1
1 {} {0.204988178473 0.52261652291 0.478443798678} H13 28 1
1 {} {0.161938608874 0.341298708656 0.687576243821} H14 29 1
1 {} {0.197860589072 0.437342434369 0.761333827765} H15 30 1
1 {} {0.272378483415 0.325646262298 0.548546343116} H16 31 1
1 {} {0.193323758339 0.293918607875 0.543932814403} H17 32 1
1 {} {0.254106321431 0.383698282647 0.382100114442} H18 33 1
1 {} {0.199204823846 0.370369658494 0.376038591113} H19 34 1
1 {} {0.127121199176 0.508915981418 0.696027719218} H20 35 1
1 {} {0.104641948382 0.45538596951 0.62249236397} H21 36 1
6 {} {0.587175087505 0.337232099571 0.309437226951} C4 37 1
14 {} {0.582402777111 0.370758767074 0.426440136049} Si6 38 1
14 {} {0.571223507996 0.248159631916 0.291538688205} Si7 39 1
8 {} {0.611049162986 0.321698570342 0.494459702906} O5 40 1
8 {} {0.605022812371 0.445796281235 0.431420022932} O6 41 1
6 {} {0.523197312748 0.379367720742 0.46307604075} C5 42 1
6 {} {0.510326734619 0.2375325929 0.26790459185} C6 43 1
8 {} {0.586497975169 0.209491608209 0.385794038239} O7 44 1
8 {} {0.600920627677 0.211173886998 0.211629512612} O8 45 1
14 {} {0.648772557383 0.490658783143 0.46008412051} Si8 46 1
7 {} {0.633249105227 0.571713002717 0.487125807054} N4 47 1
14 {} {0.639627775709 0.599356306886 0.597488159171} Si9 48 1
14 {} {0.609361157104 0.625391837124 0.407964343145} Si10 49 1
7 {} {0.620365642383 0.606323755263 0.298324876401} N5 50 1
7 {} {0.692614304349 0.619165865412 0.633722627615} N6 51 1
1 {} {0.56775240443 0.368993328752 0.263481821491} H22 52 1
1 {} {0.622504555573 0.34236747034 0.289847207642} H23 53 1
1 {} {0.60947318679 0.274583363418 0.4769582558} H24 54 1
1 {} {0.504116177649 0.412292717933 0.418518550091} H25 55 1
1 {} {0.521927284196 0.400941640677 0.530517186292} H26 56 1
1 {} {0.506363230625 0.330533852587 0.465439587541} H27 57 1
1 {} {0.500989276989 0.1844271872 0.263249359094} H28 58 1
1 {} {0.50107836999 0.261696681904 0.204529833741} H29 59 1
1 {} {0.489899159136 0.260436581179 0.320637103304} H30 60 1
1 {} {0.589177151032 0.161152832897 0.383548787222} H31 61 1
1 {} {0.587729375281 0.207131722104 0.152918181888} H32 62 1
1 {} {0.670781130684 0.461866693241 0.540755014659} H33 63 1
1 {} {0.680488659669 0.490251519955 0.383450903694} H34 64 1
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1 {} {0.623382682437 0.546389777502 0.659386509364} H36 66 1
1 {} {0.55962575302 0.624529445672 0.415811905048} H37 67 1
1 {} {0.62632530713 0.694212624779 0.426295359605} H38 68 1
1 {} {0.604082870701 0.567567956504 0.268474597277} H39 69 1
1 {} {0.652126573326 0.609669143588 0.274198645362} H40 70 1
1 {} {0.713854583149 0.58203662763 0.651642116323} H41 71 1
1 {} {0.709444779989 0.658181310036 0.60664186888} H42 72 1
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