./iterations/neb0_image04_iter8.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
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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@data
6 {} {0.363816230803 0.561062423998 0.412850149222} C1 1 1
14 {} {0.340431398421 0.53438239914 0.523521974899} Si1 2 1
14 {} {0.425601580799 0.57172330397 0.408457547557} Si2 3 1
8 {} {0.353651415049 0.591184316903 0.599562196469} O1 4 1
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8 {} {0.438301875564 0.606937783749 0.507481213863} O3 8 1
8 {} {0.438221041031 0.623589784367 0.325251121166} O4 9 1
14 {} {0.23503132188 0.536972368727 0.557867015282} Si3 10 1
7 {} {0.215428042994 0.459105285928 0.592021289494} N1 11 1
14 {} {0.192924147858 0.450838600364 0.699292391864} Si4 12 1
14 {} {0.215948543521 0.391517607017 0.51695217044} Si5 13 1
7 {} {0.209908866768 0.412664258816 0.406557320592} N2 14 1
7 {} {0.142523079134 0.489803779582 0.719623855067} N3 15 1
1 {} {0.353780664036 0.525314975272 0.36057513709} H1 16 1
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1 {} {0.447013130562 0.467263964101 0.330786824041} H8 23 1
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1 {} {0.469117406638 0.621235427668 0.513508985838} H10 25 1
1 {} {0.470240955394 0.625362438883 0.313992457058} H11 26 1
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1 {} {0.259268268819 0.354837624364 0.522742766229} H16 31 1
1 {} {0.178389292401 0.346691255468 0.543532987974} H17 32 1
1 {} {0.236884320657 0.427229512203 0.370468848061} H18 33 1
1 {} {0.181887968979 0.43596788072 0.384321415869} H19 34 1
1 {} {0.141755082947 0.53940080198 0.73460134837} H20 35 1
1 {} {0.114495175419 0.476067713276 0.686044801673} H21 36 1
6 {} {0.627044917668 0.631587867979 0.350090463713} C4 37 1
14 {} {0.58419471068 0.569117299186 0.387634848207} Si6 38 1
14 {} {0.621421702112 0.720162882032 0.386625111025} Si7 39 1
8 {} {0.533991399203 0.60533549885 0.38210656667} O5 40 1
8 {} {0.584712372427 0.504606221633 0.320338202919} O6 41 1
6 {} {0.594972389851 0.537156899418 0.50241976526} C5 42 1
6 {} {0.639545771341 0.737154614254 0.503795400638} C6 43 1
8 {} {0.566520031062 0.734888730371 0.375088329438} O7 44 1
8 {} {0.649213012949 0.769426331371 0.316786903443} O8 45 1
14 {} {0.578225671524 0.444337720793 0.247408429974} Si8 46 1
7 {} {0.590793164046 0.366107000848 0.29046525212} N4 47 1
14 {} {0.547203250251 0.309891749042 0.314251577179} Si9 48 1
14 {} {0.645429317648 0.340758903659 0.31581003388} Si10 49 1
7 {} {0.686437747775 0.386968571603 0.264623889335} N5 50 1
7 {} {0.523232295766 0.26667294508 0.227002098753} N6 51 1
1 {} {0.660417060567 0.613283942357 0.368884168508} H22 52 1
1 {} {0.626292318766 0.632412740322 0.276467026195} H23 53 1
1 {} {0.536341380417 0.654353548582 0.377352750983} H24 54 1
1 {} {0.627091053543 0.510618219565 0.505107877126} H25 55 1
1 {} {0.568876325497 0.501630877903 0.522750802023} H26 56 1
1 {} {0.595906057653 0.577682053235 0.552025648157} H27 57 1
1 {} {0.634282223999 0.789932738332 0.521998455586} H28 58 1
1 {} {0.67513604058 0.72575909842 0.513195561753} H29 59 1
1 {} {0.62056557235 0.706608919792 0.551582993396} H30 60 1
1 {} {0.556103826605 0.780774933499 0.372209307747} H31 61 1
1 {} {0.667068973294 0.80516687503 0.341862119325} H32 62 1
1 {} {0.530667827212 0.44230673173 0.218768051123} H33 63 1
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1 {} {0.649163314149 0.269387000889 0.287650792673} H38 68 1
1 {} {0.699676350158 0.427816775796 0.294953656952} H39 69 1
1 {} {0.689407555151 0.38996658348 0.197227532779} H40 70 1
1 {} {0.501103617946 0.290012690811 0.186119532932} H41 71 1
1 {} {0.54070672246 0.231273841872 0.193151732175} H42 72 1
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