iterations/neb0_image05_iter22.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_image05
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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@data
6 {} {0.356620119916 0.540521758834 0.422735486721} C1 1 1
14 {} {0.33759442782 0.507414971644 0.533794161006} Si1 2 1
14 {} {0.411547510564 0.583399858966 0.41825133737} Si2 3 1
8 {} {0.340919549216 0.567694857673 0.609013805965} O1 4 1
8 {} {0.284703367599 0.485550341638 0.525784610286} O2 5 1
6 {} {0.369294757286 0.431463275194 0.569170198365} C2 6 1
6 {} {0.460573967424 0.52620501531 0.411927744822} C3 7 1
8 {} {0.413440160292 0.627147588723 0.513887178893} O3 8 1
8 {} {0.41197729332 0.634126676796 0.330232364628} O4 9 1
14 {} {0.232324214655 0.491044156055 0.556408409118} Si3 10 1
7 {} {0.212768605343 0.412324607159 0.58789685556} N1 11 1
14 {} {0.176742040044 0.408049274738 0.679766831103} Si4 12 1
14 {} {0.228366158418 0.342347516119 0.523885182585} Si5 13 1
7 {} {0.229552845381 0.354855134236 0.410313223058} N2 14 1
7 {} {0.12923616042 0.456382645398 0.672610798358} N3 15 1
1 {} {0.356299527308 0.500067412349 0.372713155571} H1 16 1
1 {} {0.331608708178 0.577517108515 0.400701926241} H2 17 1
1 {} {0.364690914448 0.599845711627 0.595944054957} H3 18 1
1 {} {0.36597151242 0.390437319 0.520710202624} H4 19 1
1 {} {0.356641039043 0.413380880852 0.633686751281} H5 20 1
1 {} {0.405010569713 0.442427198594 0.577429461211} H6 21 1
1 {} {0.492593740863 0.553107046861 0.411593320001} H7 22 1
1 {} {0.459107361583 0.495160695926 0.351415756745} H8 23 1
1 {} {0.461085438522 0.492468632691 0.469633375009} H9 24 1
1 {} {0.438767996511 0.656386308594 0.523878394619} H10 25 1
1 {} {0.440575599251 0.64238611397 0.302076516956} H11 26 1
1 {} {0.226617324989 0.536731825728 0.634412445076} H12 27 1
1 {} {0.206863511395 0.517657626013 0.478618725232} H13 28 1
1 {} {0.163875608021 0.336329003774 0.687944336402} H14 29 1
1 {} {0.199813529999 0.432407776272 0.761648408829} H15 30 1
1 {} {0.274296810328 0.320622080119 0.548752837746} H16 31 1
1 {} {0.195239132173 0.288918979963 0.544210275659} H17 32 1
1 {} {0.256021285661 0.378726939366 0.382319167475} H18 33 1
1 {} {0.201072057035 0.365437946839 0.376280658232} H19 34 1
1 {} {0.129055134171 0.503997296307 0.696279344197} H20 35 1
1 {} {0.106572858032 0.450376115262 0.622836320647} H21 36 1
6 {} {0.58530611659 0.342232852274 0.309148316288} C4 37 1
14 {} {0.580847864502 0.375349672908 0.426317360933} Si6 38 1
14 {} {0.569330904173 0.253161026812 0.291223260747} Si7 39 1
8 {} {0.609578053844 0.326526480088 0.494279702372} O5 40 1
8 {} {0.603076878601 0.450790377611 0.431083332258} O6 41 1
6 {} {0.521751870608 0.383055806365 0.463230141261} C5 42 1
6 {} {0.508434380619 0.242507196105 0.267666382187} C6 43 1
8 {} {0.584625363574 0.214543861848 0.385478087672} O7 44 1
8 {} {0.599045975844 0.216160363695 0.211375094955} O8 45 1
14 {} {0.64685168668 0.495508890173 0.459794939847} Si8 46 1
7 {} {0.631322855434 0.576594550165 0.486811756924} N4 47 1
14 {} {0.637919445455 0.604377344566 0.59729939329} Si9 48 1
14 {} {0.607392390293 0.630267388698 0.407993228873} Si10 49 1
7 {} {0.618608815585 0.610825903369 0.298348667252} N5 50 1
7 {} {0.690659216005 0.624242020856 0.633929457236} N6 51 1
1 {} {0.565857800395 0.37400038377 0.263237655809} H22 52 1
1 {} {0.620606789259 0.347346599511 0.289519230108} H23 53 1
1 {} {0.60763324278 0.27944140638 0.476715686199} H24 54 1
1 {} {0.503078190632 0.41558893905 0.417716877127} H25 55 1
1 {} {0.520152193409 0.405545870132 0.530212939884} H26 56 1
1 {} {0.504668762607 0.334368576562 0.465594837455} H27 57 1
1 {} {0.499151561452 0.189373298269 0.263049439234} H28 58 1
1 {} {0.499129164151 0.266624396961 0.204295237122} H29 59 1
1 {} {0.488006299383 0.265332510996 0.320462826732} H30 60 1
1 {} {0.587355263418 0.166204630445 0.383211495603} H31 61 1
1 {} {0.585850968106 0.212119472426 0.152638369648} H32 62 1
1 {} {0.668883448515 0.466888530444 0.540407433284} H33 63 1
1 {} {0.678559033981 0.495245453461 0.383056857973} H34 64 1
1 {} {0.61033450165 0.666308293658 0.603647839208} H35 65 1
1 {} {0.621471028562 0.551362493103 0.658603175157} H36 66 1
1 {} {0.557629238601 0.629611544654 0.415394959513} H37 67 1
1 {} {0.624384782886 0.699170374473 0.425706875674} H38 68 1
1 {} {0.602122463659 0.572706273419 0.268060763021} H39 69 1
1 {} {0.650103646589 0.614625053389 0.273941561862} H40 70 1
1 {} {0.712046261576 0.586908305099 0.651424376958} H41 71 1
1 {} {0.707614657823 0.663292468188 0.606445120959} H42 72 1
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