iterations/neb0_image08_iter24.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 {{}}
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@data
6 {} {0.362112391082 0.525799679952 0.423466642612} C1 1 1
14 {} {0.343491714763 0.492071819736 0.534768103971} Si1 2 1
14 {} {0.41579037835 0.572367091621 0.417403604617} Si2 3 1
8 {} {0.346813949342 0.552232814422 0.609967942993} O1 4 1
8 {} {0.290580883283 0.469788571041 0.526712700132} O2 5 1
6 {} {0.375202846858 0.416062072561 0.569971787999} C2 6 1
6 {} {0.46462613364 0.516353262123 0.411039130551} C3 7 1
8 {} {0.418466000001 0.613432942192 0.515406645357} O3 8 1
8 {} {0.416259611092 0.622662773548 0.328553521026} O4 9 1
14 {} {0.238306440464 0.475528737364 0.557217101651} Si3 10 1
7 {} {0.218648319799 0.39686007183 0.588709184236} N1 11 1
14 {} {0.182644580597 0.392610644349 0.680626097062} Si4 12 1
14 {} {0.234249544341 0.326861641985 0.524681321234} Si5 13 1
7 {} {0.235481592752 0.339130130008 0.411048115482} N2 14 1
7 {} {0.135093777407 0.440870490488 0.673484091512} N3 15 1
1 {} {0.362370065981 0.485126998807 0.37354067219} H1 16 1
1 {} {0.33653787018 0.561979595248 0.401327032618} H2 17 1
1 {} {0.370575709695 0.584448680653 0.596889096147} H3 18 1
1 {} {0.371856954307 0.375021861026 0.521565079612} H4 19 1
1 {} {0.362535424459 0.398010368429 0.634486179839} H5 20 1
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1 {} {0.497772637672 0.540425738999 0.412504939285} H7 22 1
1 {} {0.462459808979 0.483621080311 0.352078933189} H8 23 1
1 {} {0.461907727617 0.485288956855 0.471245576701} H9 24 1
1 {} {0.444610349114 0.641191533313 0.524841553642} H10 25 1
1 {} {0.445954197545 0.627266022014 0.303417503809} H11 26 1
1 {} {0.232554733888 0.521279978833 0.635198873391} H12 27 1
1 {} {0.212816766666 0.502212392166 0.479508690748} H13 28 1
1 {} {0.169782724969 0.320898711982 0.688807778371} H14 29 1
1 {} {0.205703790004 0.417023499587 0.762468846165} H15 30 1
1 {} {0.280191787139 0.305220653877 0.549626698097} H16 31 1
1 {} {0.201106033577 0.273483051075 0.545079831544} H17 32 1
1 {} {0.261886481427 0.363291202062 0.383235626125} H18 33 1
1 {} {0.206994980526 0.349980160184 0.377187458803} H19 34 1
1 {} {0.134933900528 0.488502497508 0.697120668678} H20 35 1
1 {} {0.112452114061 0.434960473462 0.62365600499} H21 36 1
6 {} {0.579795672325 0.357395842126 0.308088855391} C4 37 1
14 {} {0.576999781775 0.388362726066 0.426980262035} Si6 38 1
14 {} {0.563467321998 0.268504500603 0.290228988822} Si7 39 1
8 {} {0.607237601113 0.340395496996 0.493681452185} O5 40 1
8 {} {0.596952598824 0.465510969668 0.430412471099} O6 41 1
6 {} {0.518284489889 0.391568324082 0.465301869967} C5 42 1
6 {} {0.502530988146 0.257970619908 0.266798622439} C6 43 1
8 {} {0.578733310329 0.229927673569 0.384571555933} O7 44 1
8 {} {0.593159237684 0.23170666224 0.210337972067} O8 45 1
14 {} {0.640874096293 0.510908419162 0.459077826193} Si8 46 1
7 {} {0.625295488342 0.591971817024 0.485881507} N4 47 1
14 {} {0.632008222192 0.619869952471 0.596458895504} Si9 48 1
14 {} {0.601506421247 0.645744741201 0.407166184364} Si10 49 1
7 {} {0.612676143508 0.626246022252 0.297697802462} N5 50 1
7 {} {0.684820862732 0.63977953121 0.633072116475} N6 51 1
1 {} {0.560032693117 0.389536100664 0.262916660447} H22 52 1
1 {} {0.614967112698 0.362698440115 0.287740945333} H23 53 1
1 {} {0.602287132766 0.293676543716 0.476615706435} H24 54 1
1 {} {0.502189208401 0.421428465982 0.413174746513} H25 55 1
1 {} {0.515267791999 0.418419875151 0.528943544406} H26 56 1
1 {} {0.500254573647 0.343389930291 0.468279949512} H27 57 1
1 {} {0.493246981748 0.20485611609 0.262184989127} H28 58 1
1 {} {0.493222955863 0.282075942551 0.203410844084} H29 59 1
1 {} {0.482130481977 0.280764810017 0.319634505445} H30 60 1
1 {} {0.581470175842 0.181583064103 0.382398308256} H31 61 1
1 {} {0.579913755468 0.227557447549 0.151689277015} H32 62 1
1 {} {0.662911291922 0.482240145803 0.539549494184} H33 63 1
1 {} {0.67252351145 0.510599855273 0.382367835395} H34 64 1
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1 {} {0.615555053967 0.566769070217 0.657837406763} H36 66 1
1 {} {0.551712516594 0.644957108198 0.414507467906} H37 67 1
1 {} {0.618455451288 0.7146119018 0.42489361759} H38 68 1
1 {} {0.596189740486 0.588066197093 0.267083504566} H39 69 1
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1 {} {0.706075975839 0.602511379545 0.650490719676} H41 71 1
1 {} {0.70171414034 0.678680460477 0.605663552318} H42 72 1
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