iterations/neb0_image04_iter15.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 {} {0.354801386691 0.545419885751 0.422456533564} C1 1 1
14 {} {0.335720727002 0.51237610579 0.533462711129} Si1 2 1
14 {} {0.40996225683 0.587700420716 0.418209844175} Si2 3 1
8 {} {0.339037019316 0.572649962258 0.608740680181} O1 4 1
8 {} {0.282857477874 0.490356088352 0.525516773991} O2 5 1
6 {} {0.367399349024 0.436456536601 0.568888031179} C2 6 1
6 {} {0.45899779363 0.530205464282 0.411886595433} C3 7 1
8 {} {0.411643593551 0.631960960447 0.513390347202} O3 8 1
8 {} {0.41033112275 0.638596334974 0.330434097124} O4 9 1
14 {} {0.230476381931 0.495997062221 0.556148019058} Si3 10 1
7 {} {0.210860572411 0.417285802406 0.587586937958} N1 11 1
14 {} {0.174832968998 0.412993927936 0.679452673551} Si4 12 1
14 {} {0.22644986391 0.347274586164 0.523606334692} Si5 13 1
7 {} {0.227684444998 0.359595263093 0.409988318576} N2 14 1
7 {} {0.127307386319 0.461295388648 0.672313740812} N3 15 1
1 {} {0.354359064634 0.50500290295 0.372409529434} H1 16 1
1 {} {0.329864313707 0.582558290762 0.400431940285} H2 17 1
1 {} {0.362786162483 0.604822253253 0.595681618687} H3 18 1
1 {} {0.364068188866 0.395450838012 0.520407590599} H4 19 1
1 {} {0.354726793854 0.418386936903 0.633392729186} H5 20 1
1 {} {0.403114230481 0.447431982777 0.57716619293} H6 21 1
1 {} {0.490831905421 0.557664154797 0.411245470286} H7 22 1
1 {} {0.457586730133 0.499496412146 0.351049571807} H8 23 1
1 {} {0.459913297589 0.496115311355 0.469339311284} H9 24 1
1 {} {0.436880117105 0.66130842751 0.523602382771} H10 25 1
1 {} {0.438695771674 0.647268753599 0.301720542668} H11 26 1
1 {} {0.224739753532 0.541685243502 0.634115409812} H12 27 1
1 {} {0.205005993264 0.522605082743 0.478429243029} H13 28 1
1 {} {0.161963053316 0.341291800202 0.687602426426} H14 29 1
1 {} {0.197880260427 0.437354625742 0.761341551267} H15 30 1
1 {} {0.272377983658 0.325626741742 0.548524765069} H16 31 1
1 {} {0.193316027976 0.293887445243 0.543945887109} H17 32 1
1 {} {0.254103893279 0.383674808956 0.382109593615} H18 33 1
1 {} {0.199202288137 0.370364578372 0.376039032793} H19 34 1
1 {} {0.127136697517 0.508906554284 0.696015101689} H20 35 1
1 {} {0.104650042221 0.455364562193 0.622494935517} H21 36 1
6 {} {0.587181830899 0.337275934747 0.309428408349} C4 37 1
14 {} {0.582449490452 0.370691525538 0.426457321129} Si6 38 1
14 {} {0.571216052583 0.248201323664 0.291551167554} Si7 39 1
8 {} {0.611101655895 0.321715416363 0.494470021117} O5 40 1
8 {} {0.605024138379 0.44583084468 0.431407294705} O6 41 1
6 {} {0.523264886155 0.379221665796 0.463127987057} C5 42 1
6 {} {0.510328755707 0.237558216055 0.267927975465} C6 43 1
8 {} {0.586490949471 0.20951420023 0.385782603586} O7 44 1
8 {} {0.600909852324 0.211249488912 0.211626823549} O8 45 1
14 {} {0.648744374307 0.490620612842 0.460085108586} Si8 46 1
7 {} {0.633230541534 0.571698568762 0.487181182536} N4 47 1
14 {} {0.639702485659 0.599410954248 0.597531684784} Si9 48 1
14 {} {0.609322405545 0.625405354092 0.408116564637} Si10 49 1
7 {} {0.620471574616 0.60609586189 0.298288018201} N5 50 1
7 {} {0.692448234463 0.619222756545 0.633898465659} N6 51 1
1 {} {0.567750991815 0.369019728975 0.263474884352} H22 52 1
1 {} {0.622507310244 0.342394190088 0.289839784782} H23 53 1
1 {} {0.609481039561 0.274576740823 0.47694742496} H24 54 1
1 {} {0.504229619824 0.412099670737 0.418451744121} H25 55 1
1 {} {0.521937651523 0.400914285356 0.530494223814} H26 56 1
1 {} {0.506378236101 0.33040923232 0.465468014396} H27 57 1
1 {} {0.501005657289 0.184446653723 0.26327685306} H28 58 1
1 {} {0.501060786392 0.261699883129 0.204553282185} H29 59 1
1 {} {0.489899064734 0.26042917238 0.320674595375} H30 60 1
1 {} {0.589205226378 0.161167673077 0.383527208385} H31 61 1
1 {} {0.587716781509 0.207164702123 0.152883838284} H32 62 1
1 {} {0.670776185195 0.461904490298 0.540747062815} H33 63 1
1 {} {0.680467712814 0.490278356289 0.383425049931} H34 64 1
1 {} {0.612214999206 0.661499378353 0.604135190594} H35 65 1
1 {} {0.623372239004 0.546428288976 0.659199585541} H36 66 1
1 {} {0.559571774776 0.624608363225 0.415760899343} H37 67 1
1 {} {0.626322336594 0.69425512857 0.426177758223} H38 68 1
1 {} {0.604078895571 0.567714896168 0.268483003591} H39 69 1
1 {} {0.651995974543 0.609671820281 0.274264664719} H40 70 1
1 {} {0.713903933441 0.581962114048 0.651684596224} H41 71 1
1 {} {0.709503415088 0.658337347598 0.606589551389} H42 72 1
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