iterations/neb0_image04_iter10.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_image04
@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 {} {0.354807810356 0.545426321455 0.42246087179} C1 1 1
14 {} {0.33572460402 0.51241233135 0.533466713155} Si1 2 1
14 {} {0.409977430411 0.587675584906 0.418227276324} Si2 3 1
8 {} {0.339030651338 0.572639608235 0.608726586136} O1 4 1
8 {} {0.282798903093 0.49036327072 0.525536921508} O2 5 1
6 {} {0.367398474291 0.436463067914 0.568892440596} C2 6 1
6 {} {0.458976606689 0.530211902498 0.411909490824} C3 7 1
8 {} {0.411649055983 0.63194608339 0.513358226538} O3 8 1
8 {} {0.410332840881 0.638555973202 0.330453119338} O4 9 1
14 {} {0.230509720921 0.495990466385 0.55613341822} Si3 10 1
7 {} {0.210862815536 0.417300247973 0.587590699801} N1 11 1
14 {} {0.174833321785 0.413003388974 0.67946211115} Si4 12 1
14 {} {0.226445907561 0.347263832614 0.523600542883} Si5 13 1
7 {} {0.227680244898 0.359612505203 0.409990839972} N2 14 1
7 {} {0.127300369155 0.461302105558 0.672299129563} N3 15 1
1 {} {0.354352766583 0.505006548559 0.372407977257} H1 16 1
1 {} {0.329873292807 0.582560248017 0.400435660058} H2 17 1
1 {} {0.362791036282 0.604839909478 0.595684314678} H3 18 1
1 {} {0.36406647381 0.395457330066 0.520402931567} H4 19 1
1 {} {0.354723578562 0.418391918189 0.6333896709} H5 20 1
1 {} {0.403118557722 0.447436589586 0.57716861584} H6 21 1
1 {} {0.490843255414 0.557639704287 0.411248125446} H7 22 1
1 {} {0.457603928434 0.499471057026 0.351049810878} H8 23 1
1 {} {0.459943006584 0.496084231679 0.469316020315} H9 24 1
1 {} {0.436879433531 0.661303577984 0.523604419787} H10 25 1
1 {} {0.438705813356 0.647271289675 0.301704845877} H11 26 1
1 {} {0.224736062887 0.541696759395 0.634127593293} H12 27 1
1 {} {0.205002413143 0.522612270468 0.478429687004} H13 28 1
1 {} {0.161957385245 0.34129327718 0.687592426123} H14 29 1
1 {} {0.19787404642 0.437349642065 0.761337284582} H15 30 1
1 {} {0.272375708712 0.325635598661 0.548529076721} H16 31 1
1 {} {0.193323265932 0.293905887479 0.543941807171} H17 32 1
1 {} {0.25410452491 0.383682390834 0.382106050164} H18 33 1
1 {} {0.199207384392 0.370365284743 0.37604563838} H19 34 1
1 {} {0.127133933343 0.508910387184 0.696020949875} H20 35 1
1 {} {0.104648509233 0.455369509478 0.622494957894} H21 36 1
6 {} {0.58717864963 0.337265305848 0.309432285142} C4 37 1
14 {} {0.582419121563 0.370720166135 0.42646190235} Si6 38 1
14 {} {0.571223079406 0.248203447436 0.291549509297} Si7 39 1
8 {} {0.611082832133 0.321705412619 0.494472376034} O5 40 1
8 {} {0.605009209286 0.445799429528 0.431397011698} O6 41 1
6 {} {0.5232622562 0.379242641614 0.46310325684} C5 42 1
6 {} {0.510333294811 0.237553729077 0.267921368427} C6 43 1
8 {} {0.586491022573 0.209501025263 0.385782732242} O7 44 1
8 {} {0.600902624295 0.211234921368 0.211624921835} O8 45 1
14 {} {0.648761509038 0.490646322789 0.460071926325} Si8 46 1
7 {} {0.633221759672 0.571686198014 0.487108056223} N4 47 1
14 {} {0.639733537076 0.599424205961 0.597513945037} Si9 48 1
14 {} {0.609326472117 0.625398794182 0.408233939782} Si10 49 1
7 {} {0.620395641315 0.606222289997 0.298431459255} N5 50 1
7 {} {0.692584136788 0.619220134614 0.633836796308} N6 51 1
1 {} {0.567747936074 0.369014960623 0.263466675112} H22 52 1
1 {} {0.622508265316 0.342386557162 0.289843288111} H23 53 1
1 {} {0.609475952259 0.274595529065 0.476948535571} H24 54 1
1 {} {0.504221200682 0.412111066896 0.418521151668} H25 55 1
1 {} {0.521930666406 0.400924488681 0.530466998124} H26 56 1
1 {} {0.506374106354 0.330475159214 0.465447795184} H27 57 1
1 {} {0.500998386308 0.184443492232 0.263268457391} H28 58 1
1 {} {0.501064854432 0.261695413026 0.204548354584} H29 59 1
1 {} {0.489900883268 0.260427392863 0.320661940671} H30 60 1
1 {} {0.589198360847 0.161163264844 0.383537350937} H31 61 1
1 {} {0.587723829773 0.207155334485 0.152900310324} H32 62 1
1 {} {0.670780728526 0.46189396083 0.540762616116} H33 63 1
1 {} {0.680468696715 0.490275207169 0.383441105302} H34 64 1
1 {} {0.612208750208 0.661507441045 0.60416294447} H35 65 1
1 {} {0.623366515374 0.54641343351 0.659240903816} H36 66 1
1 {} {0.559584977596 0.624588976565 0.415751858194} H37 67 1
1 {} {0.626326367226 0.694256545013 0.426185921911} H38 68 1
1 {} {0.604051281136 0.567592010166 0.268395714364} H39 69 1
1 {} {0.65211760177 0.609674836909 0.27415209655} H40 70 1
1 {} {0.713831396608 0.582068709048 0.651625969416} H41 71 1
1 {} {0.709432934078 0.658188425533 0.606668579751} H42 72 1
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