./iterations/neb0_image08_iter20.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 {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
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@data
6 {} {0.362029479955 0.525546731925 0.423562911416} C1 1 1
14 {} {0.343426498039 0.492086785363 0.534759855274} Si1 2 1
14 {} {0.415880631645 0.571832227291 0.417689946094} Si2 3 1
8 {} {0.346779624789 0.55234462399 0.609893041344} O1 4 1
8 {} {0.290629859328 0.469943207392 0.526661840034} O2 5 1
6 {} {0.375160611484 0.416186011957 0.569976311223} C2 6 1
6 {} {0.464631391569 0.516376798426 0.411049182569} C3 7 1
8 {} {0.418638383871 0.612998058798 0.515883328151} O3 8 1
8 {} {0.416444063551 0.622017983847 0.328517085946} O4 9 1
14 {} {0.238207974424 0.475657604821 0.557251723409} Si3 10 1
7 {} {0.218614977499 0.396980177519 0.588716875075} N1 11 1
14 {} {0.182601817688 0.39269840208 0.680615787967} Si4 12 1
14 {} {0.234211020177 0.326971837972 0.524688314961} Si5 13 1
7 {} {0.235441660397 0.339255248571 0.41105332824} N2 14 1
7 {} {0.135042808942 0.440989003756 0.673477029187} N3 15 1
1 {} {0.362270174965 0.485054812257 0.373541817934} H1 16 1
1 {} {0.336908894511 0.562139429397 0.401426135183} H2 17 1
1 {} {0.37054093508 0.584564703471 0.596847825104} H3 18 1
1 {} {0.371812164243 0.375144769277 0.521565058836} H4 19 1
1 {} {0.362492837387 0.398105314155 0.634499394927} H5 20 1
1 {} {0.41085956907 0.427122474765 0.578302043968} H6 21 1
1 {} {0.497768717838 0.539750709363 0.412629740585} H7 22 1
1 {} {0.462732355385 0.48334906176 0.352263947188} H8 23 1
1 {} {0.462213935598 0.485206884361 0.470892845566} H9 24 1
1 {} {0.444656019242 0.641259534726 0.524710648152} H10 25 1
1 {} {0.446231636365 0.627222680406 0.303330878289} H11 26 1
1 {} {0.232507179 0.521404609524 0.635215768913} H12 27 1
1 {} {0.212770086111 0.502331223997 0.479518888625} H13 28 1
1 {} {0.169736070532 0.321034660639 0.688773396543} H14 29 1
1 {} {0.205653239731 0.417121477045 0.762466060879} H15 30 1
1 {} {0.280148508444 0.305339781795 0.549630705652} H16 31 1
1 {} {0.201068583693 0.273610736261 0.545071909069} H17 32 1
1 {} {0.261853049199 0.363412528221 0.383222407246} H18 33 1
1 {} {0.206947963369 0.350094073321 0.37717508464} H19 34 1
1 {} {0.134887806056 0.488629874324 0.697128619462} H20 35 1
1 {} {0.112397144489 0.435077098917 0.623623314562} H21 36 1
6 {} {0.579690522402 0.357418006717 0.307980538655} C4 37 1
14 {} {0.577058842673 0.388630315995 0.426219874567} Si6 38 1
14 {} {0.563476985008 0.268409883887 0.290332862013} Si7 39 1
8 {} {0.606412071737 0.340686100721 0.494115577971} O5 40 1
8 {} {0.597062322217 0.465876564038 0.430320318692} O6 41 1
6 {} {0.518376636735 0.391651501448 0.465070778269} C5 42 1
6 {} {0.502580369517 0.257875047569 0.266780883053} C6 43 1
8 {} {0.578780884518 0.229800713061 0.384573366972} O7 44 1
8 {} {0.593186481466 0.231614210413 0.210401945662} O8 45 1
14 {} {0.640797993987 0.510698337969 0.459007907241} Si8 46 1
7 {} {0.625409730916 0.591801484425 0.486044079966} N4 47 1
14 {} {0.631952620961 0.619678001351 0.596476563123} Si9 48 1
14 {} {0.601554245348 0.645630249436 0.407032965083} Si10 49 1
7 {} {0.612765221335 0.626112958256 0.297518800496} N5 50 1
7 {} {0.684763142155 0.639655568741 0.633077772882} N6 51 1
1 {} {0.560044556863 0.389364947524 0.262597847034} H22 52 1
1 {} {0.614836863646 0.362650416893 0.288197130646} H23 53 1
1 {} {0.602080344046 0.293887195755 0.476268285418} H24 54 1
1 {} {0.502292273214 0.4216470026 0.413866177971} H25 55 1
1 {} {0.515176723893 0.419175127159 0.52944583867} H26 56 1
1 {} {0.499675220554 0.344189670818 0.467348128148} H27 57 1
1 {} {0.493268083867 0.204736532326 0.262179664897} H28 58 1
1 {} {0.493275945521 0.281959462212 0.203406899208} H29 59 1
1 {} {0.482167655734 0.280653745262 0.319625303908} H30 60 1
1 {} {0.581495328736 0.181462731281 0.382398432292} H31 61 1
1 {} {0.579960719581 0.227449819719 0.151728566005} H32 62 1
1 {} {0.66298620306 0.4821545358 0.539598606833} H33 63 1
1 {} {0.672631329046 0.510525230658 0.382326119073} H34 64 1
1 {} {0.604460581679 0.681689120663 0.602791106689} H35 65 1
1 {} {0.615625687865 0.566758774926 0.657762194412} H36 66 1
1 {} {0.551742740107 0.644842269238 0.414524487611} H37 67 1
1 {} {0.618515394368 0.714565310395 0.424930416938} H38 68 1
1 {} {0.59632572981 0.588079458574 0.267234542305} H39 69 1
1 {} {0.644190698188 0.62999674419 0.273163918269} H40 70 1
1 {} {0.706200929414 0.60221924404 0.650581718782} H41 71 1
1 {} {0.701813214989 0.678718870101 0.60552361261} H42 72 1
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