./neb0_image09.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
#MD System 2.0
@Title neb0_image09
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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@end
@data
6 {} {0.373196656434 0.584877103028 0.410920817462} C1 1 1
14 {} {0.349910290718 0.558225522609 0.52161137475} Si1 2 1
14 {} {0.434843944207 0.595690223366 0.406504107105} Si2 3 1
8 {} {0.363056544802 0.614971998775 0.597618745248} O1 4 1
8 {} {0.294912297327 0.556341156015 0.514671570703} O2 5 1
6 {} {0.368849616071 0.473012129487 0.556289966954} C2 6 1
6 {} {0.466090330974 0.515504158006 0.391828798903} C3 7 1
8 {} {0.44778797413 0.630698906179 0.50536325522} O3 8 1
8 {} {0.447880511058 0.647049274153 0.323392329675} O4 9 1
14 {} {0.244528429299 0.560957560372 0.555890263139} Si3 10 1
7 {} {0.224816086014 0.482862615725 0.59003788604} N1 11 1
14 {} {0.202362905266 0.474578516703 0.697491890312} Si4 12 1
14 {} {0.225380406261 0.415164480421 0.515005638243} Si5 13 1
7 {} {0.219321093112 0.436589928264 0.404661623663} N2 14 1
7 {} {0.151936456574 0.513627289015 0.717561339228} N3 15 1
1 {} {0.363181737077 0.54912877052 0.358599421308} H1 16 1
1 {} {0.357564969571 0.633231203544 0.393906347847} H2 17 1
1 {} {0.392925528735 0.633405093291 0.587995352821} H3 18 1
1 {} {0.360131878437 0.434441642035 0.506967300826} H4 19 1
1 {} {0.353144527743 0.459222700992 0.620010495028} H5 20 1
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1 {} {0.502178798911 0.525097177663 0.388665851812} H7 22 1
1 {} {0.456501568011 0.491214584168 0.328821143} H8 23 1
1 {} {0.459969470499 0.479922187773 0.446317400256} H9 24 1
1 {} {0.478535783186 0.645308660005 0.511594012422} H10 25 1
1 {} {0.479852991227 0.649905502292 0.312040017804} H11 26 1
1 {} {0.242779650617 0.605171968109 0.636147876289} H12 27 1
1 {} {0.215647456751 0.589107957202 0.484235432419} H13 28 1
1 {} {0.195647184652 0.401499182389 0.711769947382} H14 29 1
1 {} {0.233903228313 0.503779960303 0.763517628129} H15 30 1
1 {} {0.268691298588 0.378676933242 0.520818732742} H16 31 1
1 {} {0.187807148046 0.370480834015 0.541570289326} H17 32 1
1 {} {0.246313649329 0.451019908823 0.368483931835} H18 33 1
1 {} {0.191281850668 0.459753263813 0.382346241523} H19 34 1
1 {} {0.151156329359 0.563214106967 0.732661994749} H20 35 1
1 {} {0.12388756694 0.499886197426 0.684076833606} H21 36 1
6 {} {0.617621160211 0.607805370378 0.352087621199} C4 37 1
14 {} {0.574535286654 0.545286137768 0.389483321138} Si6 38 1
14 {} {0.611978334229 0.69627973733 0.388560461306} Si7 39 1
8 {} {0.524254847673 0.58092353672 0.384071015214} O5 40 1
8 {} {0.575303677338 0.480800232116 0.322386814226} O6 41 1
6 {} {0.585583888477 0.513329331245 0.504377059861} C5 42 1
6 {} {0.630127361087 0.713343186671 0.505783680211} C6 43 1
8 {} {0.557125257003 0.711118606706 0.37702020112} O7 44 1
8 {} {0.639835464334 0.745588283074 0.31875288165} O8 45 1
14 {} {0.568902700743 0.420398484433 0.249479379812} Si8 46 1
7 {} {0.581397424671 0.34233825374 0.292466629169} N4 47 1
14 {} {0.53778300151 0.285999323475 0.315891367486} Si9 48 1
14 {} {0.63594261284 0.316988365162 0.317695166874} Si10 49 1
7 {} {0.677048182147 0.363084749399 0.266608276247} N5 50 1
7 {} {0.513761166334 0.242826014331 0.229082425396} N6 51 1
1 {} {0.651037876136 0.589461873831 0.370867620585} H22 52 1
1 {} {0.616886849062 0.608594345861 0.278411611491} H23 53 1
1 {} {0.52649591741 0.629974575063 0.379126083115} H24 54 1
1 {} {0.617703417481 0.486758883393 0.507052440689} H25 55 1
1 {} {0.559494847698 0.477777813795 0.524703628253} H26 56 1
1 {} {0.586506967951 0.55384132528 0.553980450022} H27 57 1
1 {} {0.624868574916 0.766115989355 0.523960951649} H28 58 1
1 {} {0.665720763101 0.701947082455 0.515161807847} H29 59 1
1 {} {0.611151019848 0.682788992158 0.553542828614} H30 60 1
1 {} {0.546697373998 0.756982422388 0.374172443961} H31 61 1
1 {} {0.65766128629 0.781355465093 0.343854498557} H32 62 1
1 {} {0.521248377489 0.418514697718 0.220742812029} H33 63 1
1 {} {0.598108776284 0.436485477894 0.171958950253} H34 64 1
1 {} {0.557742306793 0.235332585825 0.377160974245} H35 65 1
1 {} {0.501039447659 0.324004023183 0.359212759041} H36 66 1
1 {} {0.645239995324 0.323040047565 0.41520541651} H37 67 1
1 {} {0.639727791837 0.245560213204 0.289640230656} H38 68 1
1 {} {0.690223175634 0.403978638563 0.296888682184} H39 69 1
1 {} {0.679993215177 0.366153389574 0.199235131318} H40 70 1
1 {} {0.491706392114 0.266245917081 0.188084099127} H41 71 1
1 {} {0.531300755281 0.207487137092 0.195172979877} H42 72 1
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