iterations/neb0_image03_iter27.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_image03
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
@end
@data
6 {} {0.352984747891 0.550226978946 0.422168433144} C1 1 1
14 {} {0.333950612091 0.517219348785 0.533262939594} Si1 2 1
14 {} {0.408176989175 0.592512533101 0.41793763751} Si2 3 1
8 {} {0.337200201025 0.577489272337 0.608517377516} O1 4 1
8 {} {0.280992039963 0.495326696593 0.525229644435} O2 5 1
6 {} {0.365559108613 0.441227786009 0.568672308938} C2 6 1
6 {} {0.457220927909 0.534932460806 0.411660392087} C3 7 1
8 {} {0.409836374938 0.636713585877 0.513175215287} O3 8 1
8 {} {0.408494653699 0.643510092136 0.330256419168} O4 9 1
14 {} {0.228713334019 0.500855178573 0.555864513004} Si3 10 1
7 {} {0.209047294459 0.422144636796 0.587317529436} N1 11 1
14 {} {0.173002643919 0.417864233608 0.679123703102} Si4 12 1
14 {} {0.224602766685 0.352151941 0.523325778315} Si5 13 1
7 {} {0.22581665614 0.364682487058 0.409771239206} N2 14 1
7 {} {0.125498141324 0.466201922384 0.672022796971} N3 15 1
1 {} {0.352558721709 0.509777200615 0.372154262743} H1 16 1
1 {} {0.327996174427 0.587299365233 0.40018284797} H2 17 1
1 {} {0.360965315116 0.609651490528 0.59541407003} H3 18 1
1 {} {0.362228257361 0.400232565176 0.520174010388} H4 19 1
1 {} {0.352907977165 0.423156461815 0.633181017825} H5 20 1
1 {} {0.401277655419 0.452201459044 0.576915357702} H6 21 1
1 {} {0.489041568475 0.562494673379 0.410993929561} H7 22 1
1 {} {0.455797711654 0.504270342842 0.350742312256} H8 23 1
1 {} {0.45810884604 0.50081060379 0.469140408169} H9 24 1
1 {} {0.435026957856 0.666157093731 0.523374671349} H10 25 1
1 {} {0.436845112562 0.652098986586 0.30139865949} H11 26 1
1 {} {0.22292209462 0.546503313105 0.633886910781} H12 27 1
1 {} {0.203183586486 0.527423485514 0.478152582504} H13 28 1
1 {} {0.160133562149 0.346149018104 0.687336401137} H14 29 1
1 {} {0.196058607945 0.442185117412 0.761007239437} H15 30 1
1 {} {0.270529481451 0.330416853966 0.548192820409} H16 31 1
1 {} {0.191480861906 0.298716158096 0.543647021584} H17 32 1
1 {} {0.252289354251 0.388519348305 0.381762437607} H18 33 1
1 {} {0.197347164747 0.375243768047 0.375709748187} H19 34 1
1 {} {0.125315040046 0.513805674776 0.695724361765} H20 35 1
1 {} {0.102819235332 0.460205182803 0.622286529621} H21 36 1
6 {} {0.589009821534 0.33240212696 0.309704094977} C4 37 1
14 {} {0.584263109815 0.365899218498 0.426736926861} Si6 38 1
14 {} {0.573023726905 0.243339795676 0.2916995446} Si7 39 1
8 {} {0.612973699144 0.316885238048 0.494722863295} O5 40 1
8 {} {0.606840416216 0.440973781454 0.431695229507} O6 41 1
6 {} {0.525016387195 0.374494282531 0.463358891354} C5 42 1
6 {} {0.512134291294 0.232708893171 0.268168231389} C6 43 1
8 {} {0.588162192772 0.204721270656 0.386087350639} O7 44 1
8 {} {0.60269783699 0.206235861347 0.211878659965} O8 45 1
14 {} {0.650613127648 0.485808100654 0.460355768057} Si8 46 1
7 {} {0.635067106647 0.566865000021 0.487379800721} N4 47 1
14 {} {0.641537546769 0.59456375879 0.597721283897} Si9 48 1
14 {} {0.611136135276 0.620536258609 0.408412009473} Si10 49 1
7 {} {0.622280383346 0.601174931679 0.298903613184} N5 50 1
7 {} {0.694408296608 0.61443647276 0.634361782281} N6 51 1
1 {} {0.569597837305 0.364210629897 0.26378400607} H22 52 1
1 {} {0.624340365245 0.337571595457 0.290122268398} H23 53 1
1 {} {0.611330570746 0.269753486167 0.477221074291} H24 54 1
1 {} {0.505989508185 0.407451151628 0.418664091374} H25 55 1
1 {} {0.523744000966 0.396081770862 0.530808339063} H26 56 1
1 {} {0.508203060281 0.325622270141 0.465698379879} H27 57 1
1 {} {0.502880002409 0.179573906226 0.263577385022} H28 58 1
1 {} {0.502844269866 0.256854710317 0.20481754642} H29 59 1
1 {} {0.491745881824 0.25556678879 0.320996084702} H30 60 1
1 {} {0.591090361022 0.156410322014 0.38374950129} H31 61 1
1 {} {0.589556824307 0.202350973174 0.153080254096} H32 62 1
1 {} {0.672642458417 0.457070676358 0.541035384029} H33 63 1
1 {} {0.682302083821 0.485434615187 0.383676178439} H34 64 1
1 {} {0.614040398784 0.656631198837 0.604234976465} H35 65 1
1 {} {0.62518108591 0.541509948564 0.6593182926} H36 66 1
1 {} {0.561394733921 0.619877901072 0.416035204126} H37 67 1
1 {} {0.628164963868 0.68937030905 0.426308770123} H38 68 1
1 {} {0.605779536552 0.56287869447 0.268610447166} H39 69 1
1 {} {0.653898992486 0.60485116386 0.274504050384} H40 70 1
1 {} {0.715714547689 0.577211699328 0.651924812855} H41 71 1
1 {} {0.711296632402 0.653420237912 0.607049625671} H42 72 1
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