./iterations/neb0_image04_iter37.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
#MD System 2.0
@Title neb0_image04
@Columns AsymmetricAtom
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Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.363669607586 0.561099116953 0.413002232418} C1 1 1
14 {} {0.340475578633 0.534510124904 0.523493752242} Si1 2 1
14 {} {0.425323904542 0.571523416268 0.408708645283} Si2 3 1
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8 {} {0.437973729876 0.623309646205 0.325778435394} O4 9 1
14 {} {0.235155027685 0.537465043276 0.557705719121} Si3 10 1
7 {} {0.215511928229 0.459347088208 0.591889087569} N1 11 1
14 {} {0.19310459373 0.451037133404 0.699363508464} Si4 12 1
14 {} {0.2160387159 0.391655640784 0.51685454373} Si5 13 1
7 {} {0.209941980231 0.412674395766 0.40631886303} N2 14 1
7 {} {0.142640608992 0.489990379314 0.71970461572} N3 15 1
1 {} {0.353873059521 0.525371135364 0.360468680136} H1 16 1
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1 {} {0.446556698778 0.466596443682 0.330911461952} H8 23 1
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1 {} {0.178419530057 0.347092945399 0.543526840648} H17 32 1
1 {} {0.236984966379 0.427510043231 0.370491950021} H18 33 1
1 {} {0.182015328105 0.436304088348 0.384327968011} H19 34 1
1 {} {0.141886671113 0.539657105157 0.734518210215} H20 35 1
1 {} {0.114621226186 0.47626641255 0.686086383674} H21 36 1
6 {} {0.627358400148 0.631514305639 0.35008591502} C4 37 1
14 {} {0.584249790419 0.569281808834 0.387610077244} Si6 38 1
14 {} {0.621520445958 0.719982948811 0.386608472054} Si7 39 1
8 {} {0.534694764315 0.607133570327 0.382288829721} O5 40 1
8 {} {0.584401080542 0.504848085293 0.320297981173} O6 41 1
6 {} {0.594885821019 0.537087733159 0.502473903661} C5 42 1
6 {} {0.639509006975 0.737010407907 0.503867511742} C6 43 1
8 {} {0.566634123923 0.73487149763 0.375301019986} O7 44 1
8 {} {0.649016350996 0.76954623262 0.316624595041} O8 45 1
14 {} {0.57814054829 0.444131063469 0.247605880358} Si8 46 1
7 {} {0.590750626769 0.366174156642 0.290645225087} N4 47 1
14 {} {0.547093500365 0.309676605799 0.314069996584} Si9 48 1
14 {} {0.645300202241 0.340760709085 0.315781930792} Si10 49 1
7 {} {0.686298427423 0.387014165634 0.264590618756} N5 50 1
7 {} {0.523262532115 0.266616999364 0.227026145972} N6 51 1
1 {} {0.66080148542 0.613259998976 0.368607691287} H22 52 1
1 {} {0.626296923252 0.632241794867 0.276430274893} H23 53 1
1 {} {0.53812993826 0.656212910137 0.377983448886} H24 54 1
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1 {} {0.568677808884 0.501682836036 0.522602819114} H26 56 1
1 {} {0.595744449107 0.577613959758 0.552051291222} H27 57 1
1 {} {0.634211436289 0.789773224794 0.522027230214} H28 58 1
1 {} {0.675083683764 0.725572664692 0.513268308622} H29 59 1
1 {} {0.620482724771 0.70642629808 0.551522797571} H30 60 1
1 {} {0.555924537762 0.780552485315 0.372170978143} H31 61 1
1 {} {0.66699001193 0.805093527723 0.341690902125} H32 62 1
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1 {} {0.649175798041 0.269366544253 0.287653851061} H38 68 1
1 {} {0.699732308452 0.427689257525 0.294922725337} H39 69 1
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1 {} {0.500951093335 0.289705899864 0.186226641734} H41 71 1
1 {} {0.540669541986 0.231087888698 0.193143007442} H42 72 1
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