iterations/neb0_image03_iter8.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 {} {0.352960989192 0.550252584532 0.422165625512} C1 1 1
14 {} {0.33392307519 0.517245090212 0.53324517281} Si1 2 1
14 {} {0.408189112411 0.592453813594 0.41794995627} Si2 3 1
8 {} {0.337159060348 0.577511517526 0.608484978903} O1 4 1
8 {} {0.280948999501 0.495304240827 0.525271451751} O2 5 1
6 {} {0.36555220957 0.441276220403 0.568634748614} C2 6 1
6 {} {0.457231539232 0.534851884302 0.411698694446} C3 7 1
8 {} {0.409811658307 0.63675387665 0.513086355377} O3 8 1
8 {} {0.408498692389 0.643344510415 0.330190544225} O4 9 1
14 {} {0.228692664311 0.500867491496 0.55588977617} Si3 10 1
7 {} {0.209030980121 0.422145240616 0.587318779452} N1 11 1
14 {} {0.172978816143 0.41784673316 0.679115090703} Si4 12 1
14 {} {0.224606540032 0.352144779261 0.52333227228} Si5 13 1
7 {} {0.22582510889 0.364587035223 0.409771087776} N2 14 1
7 {} {0.125460810302 0.466174158818 0.67199674232} N3 15 1
1 {} {0.352510571585 0.509818448543 0.37212775863} H1 16 1
1 {} {0.32801812559 0.587393400961 0.400166497663} H2 17 1
1 {} {0.360950094291 0.609677471933 0.595416943277} H3 18 1
1 {} {0.362224820826 0.400283991546 0.520127965133} H4 19 1
1 {} {0.352879738676 0.423217454018 0.63312830864} H5 20 1
1 {} {0.401268213704 0.452257514952 0.576903516382} H6 21 1
1 {} {0.489041579147 0.562442061789 0.410952723826} H7 22 1
1 {} {0.455821381509 0.504216087555 0.350749885144} H8 23 1
1 {} {0.458197601584 0.500676892996 0.469117000147} H9 24 1
1 {} {0.435037024871 0.666120940558 0.523358766589} H10 25 1
1 {} {0.436859230534 0.65208492218 0.3014085916} H11 26 1
1 {} {0.222889948346 0.546527884604 0.633888205347} H12 27 1
1 {} {0.203155474594 0.527433140979 0.47817709961} H13 28 1
1 {} {0.160101018259 0.346119274188 0.687314020999} H14 29 1
1 {} {0.196021761457 0.442158180816 0.761050844047} H15 30 1
1 {} {0.270527795896 0.330461528642 0.548265338987} H16 31 1
1 {} {0.191485305881 0.298736835161 0.543666033616} H17 32 1
1 {} {0.252279943095 0.388522937815 0.381816198071} H18 33 1
1 {} {0.197356702765 0.375193942386 0.375768282143} H19 34 1
1 {} {0.125286232323 0.513772961736 0.695773953502} H20 35 1
1 {} {0.102806451541 0.460195238866 0.62223380052} H21 36 1
6 {} {0.589009720274 0.332396460829 0.309719137453} C4 37 1
14 {} {0.584238944901 0.365949546439 0.426722604787} Si6 38 1
14 {} {0.57305594643 0.243332480173 0.291738973138} Si7 39 1
8 {} {0.612900991652 0.31687565827 0.494742633395} O5 40 1
8 {} {0.606854982546 0.440981854809 0.431685586958} O6 41 1
6 {} {0.524997712533 0.374601183843 0.463331985105} C5 42 1
6 {} {0.512164133276 0.232701151518 0.268168060882} C6 43 1
8 {} {0.5882738699 0.204681585761 0.386056196089} O7 44 1
8 {} {0.602742097768 0.20628546628 0.211893939498} O8 45 1
14 {} {0.650626457166 0.485825534932 0.460348641895} Si8 46 1
7 {} {0.635089915492 0.566862055312 0.487389589217} N4 47 1
14 {} {0.641510793242 0.594532843484 0.597688282562} Si9 48 1
14 {} {0.611177374978 0.620548688869 0.408385834662} Si10 49 1
7 {} {0.622199969295 0.601486837301 0.298696304409} N5 50 1
7 {} {0.694473111071 0.614345266826 0.63403622019} N6 51 1
1 {} {0.569596443008 0.364169163082 0.26375551349} H22 52 1
1 {} {0.62434018578 0.33754656009 0.290121247982} H23 53 1
1 {} {0.611313400613 0.269766897352 0.477221840249} H24 54 1
1 {} {0.505913621437 0.407565143118 0.418765813466} H25 55 1
1 {} {0.523759843354 0.396129295952 0.530807081934} H26 56 1
1 {} {0.508195891683 0.325730758528 0.465691169749} H27 57 1
1 {} {0.502839247648 0.179597145938 0.263526473933} H28 58 1
1 {} {0.502914853804 0.256866929152 0.204807667606} H29 59 1
1 {} {0.491745066171 0.255603640781 0.320913500846} H30 60 1
1 {} {0.591029356578 0.156354236003 0.383811790876} H31 61 1
1 {} {0.589571782914 0.202310640143 0.153167150503} H32 62 1
1 {} {0.672632201631 0.457048928123 0.541040365232} H33 63 1
1 {} {0.682325498003 0.485433517729 0.38372087732} H34 64 1
1 {} {0.614064529948 0.656682089437 0.604463456009} H35 65 1
1 {} {0.625219452539 0.541573986863 0.659572954976} H36 66 1
1 {} {0.56145075184 0.619734964074 0.416056054668} H37 67 1
1 {} {0.628174778776 0.689401077234 0.426502825569} H38 68 1
1 {} {0.605903285163 0.562742778814 0.268696342317} H39 69 1
1 {} {0.653987746917 0.60484127454 0.274420779552} H40 70 1
1 {} {0.715687846888 0.577231610781 0.651901300383} H41 71 1
1 {} {0.711260887395 0.65331879138 0.606955082736} H42 72 1
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