iterations/neb0_image04_iter2.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 {{}}
Site int 1
WyckoffPosition int -1
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@data
6 {} {0.354789076343 0.545452138215 0.42242511569} C1 1 1
14 {} {0.335750587665 0.512448682131 0.533481029255} Si1 2 1
14 {} {0.410029458571 0.587569291217 0.418240613681} Si2 3 1
8 {} {0.338991586793 0.572721145274 0.608746670556} O1 4 1
8 {} {0.282832231666 0.490460630545 0.525545484589} O2 5 1
6 {} {0.367386245689 0.436483903591 0.568875701688} C2 6 1
6 {} {0.459100052171 0.529970782733 0.411964700796} C3 7 1
8 {} {0.411628024281 0.631990474344 0.513335729469} O3 8 1
8 {} {0.410350687618 0.638458015176 0.330453159287} O4 9 1
14 {} {0.230501040624 0.496073702127 0.556154517838} Si3 10 1
7 {} {0.210851394814 0.417354190841 0.587587036094} N1 11 1
14 {} {0.174815011699 0.412999246184 0.679431101492} Si4 12 1
14 {} {0.22645589828 0.347342392831 0.523651412241} Si5 13 1
7 {} {0.227674618842 0.359707734109 0.410034912255} N2 14 1
7 {} {0.127308498981 0.461333610539 0.6722506905} N3 15 1
1 {} {0.354340323607 0.505019201637 0.372391566604} H1 16 1
1 {} {0.329856313177 0.582624161477 0.40042638741} H2 17 1
1 {} {0.36277842911 0.604854273648 0.595690544981} H3 18 1
1 {} {0.36406528972 0.395485820955 0.520377443906} H4 19 1
1 {} {0.354711467921 0.418427030731 0.633379342512} H5 20 1
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1 {} {0.49088129976 0.557617750126 0.411189912985} H7 22 1
1 {} {0.457674607162 0.499379091972 0.350992557325} H8 23 1
1 {} {0.460064879814 0.495809181396 0.469394312667} H9 24 1
1 {} {0.43688543721 0.661295482818 0.523622915421} H10 25 1
1 {} {0.438692909845 0.647267054841 0.30168236365} H11 26 1
1 {} {0.224712717164 0.541719121783 0.634168712903} H12 27 1
1 {} {0.204976375197 0.522617878626 0.478457321035} H13 28 1
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1 {} {0.197850711113 0.437337690247 0.761332488264} H15 30 1
1 {} {0.272381769668 0.325653494785 0.548560852115} H16 31 1
1 {} {0.193321909222 0.293924449869 0.543925957634} H17 32 1
1 {} {0.254107664604 0.38371016973 0.382095522048} H18 33 1
1 {} {0.199199394618 0.370374129684 0.376028338189} H19 34 1
1 {} {0.127110521077 0.508919884305 0.696032003096} H20 35 1
1 {} {0.104634933203 0.455398931349 0.622486554571} H21 36 1
6 {} {0.587173095896 0.337207105449 0.309440050464} C4 37 1
14 {} {0.582395941157 0.370773678475 0.426422243203} Si6 38 1
14 {} {0.571221966653 0.248119991737 0.291530713874} Si7 39 1
8 {} {0.611022950078 0.321703025703 0.494447346059} O5 40 1
8 {} {0.605044754014 0.445813290632 0.431446327874} O6 41 1
6 {} {0.523141112902 0.379474041459 0.463053049105} C5 42 1
6 {} {0.510319906896 0.237516309697 0.267891401364} C6 43 1
8 {} {0.586503683188 0.209489006816 0.385802715858} O7 44 1
8 {} {0.60093965037 0.211124811131 0.211642629474} O8 45 1
14 {} {0.648774009393 0.490659123123 0.460099637839} Si8 46 1
7 {} {0.633278153317 0.571741333856 0.487165736251} N4 47 1
14 {} {0.63953293534 0.599291362358 0.59748111949} Si9 48 1
14 {} {0.609392792831 0.625396061928 0.407704968436} Si10 49 1
7 {} {0.620384741449 0.606351197457 0.298109784341} N5 50 1
7 {} {0.692548380216 0.619102641012 0.63363337579} N6 51 1
1 {} {0.567757378176 0.368975084561 0.263497380349} H22 52 1
1 {} {0.622500309697 0.342352646275 0.289850435801} H23 53 1
1 {} {0.609471623913 0.274563047926 0.476964272376} H24 54 1
1 {} {0.504026732121 0.412448517112 0.418499804679} H25 55 1
1 {} {0.521926029521 0.40095548781 0.530572333762} H26 56 1
1 {} {0.506353898065 0.330566346466 0.465437614597} H27 57 1
1 {} {0.500982990951 0.184412854201 0.263234631541} H28 58 1
1 {} {0.501089279728 0.261698723457 0.204515071874} H29 59 1
1 {} {0.489897333773 0.260444946252 0.320618325908} H30 60 1
1 {} {0.589160369954 0.161142480706 0.38355601403} H31 61 1
1 {} {0.587730738442 0.207112820463 0.152921938592} H32 62 1
1 {} {0.670779906319 0.461845922637 0.540741880636} H33 63 1
1 {} {0.680506564647 0.490231700936 0.38345346249} H34 64 1
1 {} {0.612254649618 0.661548219968 0.604280185171} H35 65 1
1 {} {0.623400097812 0.54637545314 0.659507215913} H36 66 1
1 {} {0.559658316278 0.624481280482 0.415870233402} H37 67 1
1 {} {0.626323019661 0.694171228767 0.426393416769} H38 68 1
1 {} {0.604128364359 0.567605259363 0.268594785682} H39 69 1
1 {} {0.652066244381 0.609662217086 0.274300899281} H40 70 1
1 {} {0.713916203742 0.581948786967 0.651688556844} H41 71 1
1 {} {0.709494887221 0.658255352248 0.606570209633} H42 72 1
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