iterations/neb0_image07_iter15.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_image07
@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 {} {0.360355176237 0.530739659845 0.423281348617} C1 1 1
14 {} {0.34137217147 0.497691768958 0.534343535529} Si1 2 1
14 {} {0.414909206349 0.574377215517 0.418651513344} Si2 3 1
8 {} {0.344649326929 0.557981829999 0.609568952339} O1 4 1
8 {} {0.288461947694 0.475726627739 0.526377434027} O2 5 1
6 {} {0.373026782653 0.421714824007 0.56971866914} C2 6 1
6 {} {0.463778372112 0.517813137727 0.411949908002} C3 7 1
8 {} {0.417147952298 0.617447191166 0.514549277533} O3 8 1
8 {} {0.415603939161 0.624478547746 0.330424043169} O4 9 1
14 {} {0.236116085222 0.481296602232 0.556967545931} Si3 10 1
7 {} {0.216498618865 0.402546982021 0.588396786363} N1 11 1
14 {} {0.180476887253 0.398256881936 0.680260364449} Si4 12 1
14 {} {0.232094317723 0.332549428461 0.524403191339} Si5 13 1
7 {} {0.233311737853 0.34499529276 0.410821917035} N2 14 1
7 {} {0.132952546745 0.446610869562 0.673106347314} N3 15 1
1 {} {0.360013023518 0.490303365978 0.373225602984} H1 16 1
1 {} {0.335425286463 0.567772535515 0.401255596104} H2 17 1
1 {} {0.368433792961 0.590115379127 0.596501848813} H3 18 1
1 {} {0.369697989968 0.380705962286 0.521228252694} H4 19 1
1 {} {0.36036211358 0.403629431491 0.634228058333} H5 20 1
1 {} {0.408747654808 0.432674134271 0.578001747483} H6 21 1
1 {} {0.496150021776 0.543258769671 0.412230794319} H7 22 1
1 {} {0.46251245398 0.48617393655 0.352404216232} H8 23 1
1 {} {0.463900980136 0.484673850577 0.469852616956} H9 24 1
1 {} {0.442522818791 0.646607670079 0.524396172019} H10 25 1
1 {} {0.444313934449 0.632615432297 0.30266037721} H11 26 1
1 {} {0.230365491321 0.526948038645 0.634954289779} H12 27 1
1 {} {0.210634269795 0.50786151953 0.479261587527} H13 28 1
1 {} {0.167587951281 0.32657638408 0.688415626788} H14 29 1
1 {} {0.203510741609 0.42261403032 0.762144654188} H15 30 1
1 {} {0.278008381527 0.310891974923 0.549338139469} H16 31 1
1 {} {0.198966287451 0.279172740901 0.544752916741} H17 32 1
1 {} {0.259756890062 0.368963155083 0.38289428514} H18 33 1
1 {} {0.204823397709 0.355641610424 0.376838914552} H19 34 1
1 {} {0.132771145586 0.494210347175 0.69684841118} H20 35 1
1 {} {0.110280125686 0.440633485237 0.62331944731} H21 36 1
6 {} {0.58156992051 0.351972811641 0.308598825404} C4 37 1
14 {} {0.577460062435 0.384836725256 0.425820368892} Si6 38 1
14 {} {0.565582826548 0.262922555594 0.290662011447} Si7 39 1
8 {} {0.606073656399 0.336201845816 0.493822016612} O5 40 1
8 {} {0.599281245917 0.460474057039 0.430541631155} O6 41 1
6 {} {0.518827821598 0.391319714178 0.463546105944} C5 42 1
6 {} {0.504689116255 0.252290927225 0.267075354124} C6 43 1
8 {} {0.580767224583 0.224260781334 0.384955585896} O7 44 1
8 {} {0.595264826827 0.225874939984 0.210799457169} O8 45 1
14 {} {0.643056642127 0.505293135075 0.459177585357} Si8 46 1
7 {} {0.62759126682 0.586343161628 0.486575700918} N4 47 1
14 {} {0.634046671469 0.614102143838 0.596628307266} Si9 48 1
14 {} {0.603705996517 0.640112289621 0.407180382586} Si10 49 1
7 {} {0.614809812627 0.620852936226 0.297627838627} N5 50 1
7 {} {0.686909926526 0.633952376433 0.633143360882} N6 51 1
1 {} {0.562135992864 0.383740389233 0.262663234994} H22 52 1
1 {} {0.616870535984 0.357119904605 0.288981820928} H23 53 1
1 {} {0.60389641938 0.289191207558 0.476218229384} H24 54 1
1 {} {0.500602662604 0.423046851572 0.417019425785} H25 55 1
1 {} {0.516564625736 0.415093752261 0.529282026238} H26 56 1
1 {} {0.500943151655 0.34347260309 0.465256387275} H27 57 1
1 {} {0.495377571357 0.199173335073 0.26245547975} H28 58 1
1 {} {0.495424406328 0.276420450529 0.203697992785} H29 59 1
1 {} {0.484272419663 0.275138174017 0.3198651027} H30 60 1
1 {} {0.583565275208 0.175919650746 0.38271677832} H31 61 1
1 {} {0.582087069964 0.22186958976 0.152046051144} H32 62 1
1 {} {0.665151605988 0.476627984592 0.539944185138} H33 63 1
1 {} {0.674847710521 0.505003971986 0.382589011719} H34 64 1
1 {} {0.606587134217 0.676192190287 0.603284505936} H35 65 1
1 {} {0.617740261176 0.561169879716 0.658307372741} H36 66 1
1 {} {0.553907876855 0.639283192027 0.414908991132} H37 67 1
1 {} {0.620664297458 0.709006029445 0.425361606228} H38 68 1
1 {} {0.598486267235 0.582454337945 0.267644588702} H39 69 1
1 {} {0.646366903917 0.624394711287 0.273441845843} H40 70 1
1 {} {0.708293764409 0.596655702919 0.650884429562} H41 71 1
1 {} {0.703869189459 0.6730713807 0.60578833018} H42 72 1
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