./iterations/neb0_image05_iter39.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_image05
@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 {} {0.365520060177 0.56609497067 0.412720693024} C1 1 1
14 {} {0.342416858528 0.539568561254 0.523290229271} Si1 2 1
14 {} {0.427111105779 0.576211486159 0.408346815691} Si2 3 1
8 {} {0.355709677756 0.596237234597 0.599312340074} O1 4 1
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6 {} {0.457220612878 0.495004789668 0.393505221431} C3 7 1
8 {} {0.440142179088 0.611613247193 0.50708759655} O3 8 1
8 {} {0.439491960617 0.628250723841 0.325333882178} O4 9 1
14 {} {0.237128475889 0.542455852513 0.557299326815} Si3 10 1
7 {} {0.217562704205 0.464279620572 0.591467793701} N1 11 1
14 {} {0.195115688818 0.455934322234 0.698951883568} Si4 12 1
14 {} {0.218056165418 0.396555199097 0.516350427587} Si5 13 1
7 {} {0.211958597748 0.417728714458 0.405940355953} N2 14 1
7 {} {0.144647744151 0.494903867549 0.71924373447} N3 15 1
1 {} {0.355788749831 0.530308028304 0.360166204256} H1 16 1
1 {} {0.350181226167 0.614636379199 0.395434846448} H2 17 1
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1 {} {0.352711412063 0.41570372828 0.508505945246} H4 19 1
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1 {} {0.447682327973 0.470721884267 0.330548401859} H8 23 1
1 {} {0.450739680386 0.459715552376 0.448069213371} H9 24 1
1 {} {0.471202310476 0.624694787887 0.513255356917} H10 25 1
1 {} {0.471187503738 0.627145594059 0.310938661346} H11 26 1
1 {} {0.235440034014 0.586619253439 0.637589928711} H12 27 1
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1 {} {0.261310963169 0.359920361369 0.52224638908} H16 31 1
1 {} {0.180407532284 0.352034796978 0.543064635208} H17 32 1
1 {} {0.238963835034 0.432488461374 0.370007945511} H18 33 1
1 {} {0.183987962983 0.441253167601 0.383932088433} H19 34 1
1 {} {0.143861156421 0.544536566598 0.734114188951} H20 35 1
1 {} {0.116621546982 0.481149191212 0.68568075964} H21 36 1
6 {} {0.625899382697 0.626631394752 0.350393644545} C4 37 1
14 {} {0.582801793845 0.564560019539 0.388000964333} Si6 38 1
14 {} {0.619760275706 0.715056463071 0.387032758617} Si7 39 1
8 {} {0.533828495412 0.603906158829 0.382841018524} O5 40 1
8 {} {0.582487709636 0.500142940518 0.320650388166} O6 41 1
6 {} {0.593075974802 0.53214246908 0.502884555314} C5 42 1
6 {} {0.63756920135 0.731987957794 0.50434656813} C6 43 1
8 {} {0.56488496235 0.730175723518 0.37576473433} O7 44 1
8 {} {0.647066384858 0.764677611182 0.316975748156} O8 45 1
14 {} {0.576211740533 0.439361600331 0.248031864956} Si8 46 1
7 {} {0.588722760235 0.361257517632 0.291158312774} N4 47 1
14 {} {0.545116590901 0.30489362052 0.314473282477} Si9 48 1
14 {} {0.643307690791 0.335845040678 0.316248522352} Si10 49 1
7 {} {0.684332847289 0.381972227029 0.265054441482} N5 50 1
7 {} {0.521267265505 0.261749048085 0.227341276073} N6 51 1
1 {} {0.659424165932 0.608664983771 0.368616830189} H22 52 1
1 {} {0.624558730853 0.62732238916 0.276783833471} H23 53 1
1 {} {0.53786899793 0.652953921536 0.378731267412} H24 54 1
1 {} {0.625055858598 0.505303662202 0.506377107908} H25 55 1
1 {} {0.566734417838 0.496855500084 0.522681433418} H26 56 1
1 {} {0.593821805836 0.572649445227 0.552489928327} H27 57 1
1 {} {0.632259417061 0.784760375538 0.52246858764} H28 58 1
1 {} {0.673137535423 0.72054299344 0.513763854304} H29 59 1
1 {} {0.618523368668 0.701412010001 0.551999527145} H30 60 1
1 {} {0.553946552961 0.775734409965 0.372523816294} H31 61 1
1 {} {0.665063481776 0.800220344151 0.342072026691} H32 62 1
1 {} {0.528619754141 0.437198143158 0.219154490602} H33 63 1
1 {} {0.605464860406 0.455237303655 0.170517174541} H34 64 1
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1 {} {0.647178446129 0.264421742153 0.288089047376} H38 68 1
1 {} {0.697751700482 0.422673831487 0.295335025365} H39 69 1
1 {} {0.687344138051 0.384871576771 0.197662708812} H40 70 1
1 {} {0.498940248049 0.284758281347 0.186599069878} H41 71 1
1 {} {0.538668892766 0.226173241734 0.193663864505} H42 72 1
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