./iterations/neb0_image07_iter18.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_image07
@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 {} {0.360298496142 0.530694448011 0.423280625847} C1 1 1
14 {} {0.341390167219 0.497558782938 0.534409781685} Si1 2 1
14 {} {0.414796190787 0.574795145267 0.418370638071} Si2 3 1
8 {} {0.344702298372 0.557854518127 0.609574637474} O1 4 1
8 {} {0.28855815944 0.475609699754 0.526378053915} O2 5 1
6 {} {0.373078181055 0.421584888634 0.569728165277} C2 6 1
6 {} {0.463620654009 0.518442299332 0.41189018674} C3 7 1
8 {} {0.417023779627 0.617659592222 0.514801098061} O3 8 1
8 {} {0.415334996599 0.625065117856 0.329853978083} O4 9 1
14 {} {0.236147886138 0.481137930618 0.556977409477} Si3 10 1
7 {} {0.216550929884 0.402422918879 0.588394835945} N1 11 1
14 {} {0.180534814121 0.398135033466 0.680256788939} Si4 12 1
14 {} {0.232135779441 0.332428831927 0.52440352658} Si5 13 1
7 {} {0.233353056494 0.344879153823 0.410818080995} N2 14 1
7 {} {0.133015051544 0.446476799966 0.673114227354} N3 15 1
1 {} {0.36011108835 0.49025010712 0.373248573672} H1 16 1
1 {} {0.33529666046 0.567611573059 0.401227605344} H2 17 1
1 {} {0.368492341683 0.589995513747 0.596521276403} H3 18 1
1 {} {0.369744789649 0.380570664599 0.521253401264} H4 19 1
1 {} {0.360415156578 0.403489556165 0.634237501876} H5 20 1
1 {} {0.408791156999 0.432527675131 0.578005961148} H6 21 1
1 {} {0.496167828518 0.54374321097 0.412219555753} H7 22 1
1 {} {0.46214570319 0.486508770901 0.35209121179} H8 23 1
1 {} {0.463201245488 0.485595603418 0.470226337175} H9 24 1
1 {} {0.442577511786 0.646542120015 0.524419963349} H10 25 1
1 {} {0.444308968737 0.632541478374 0.302765006481} H11 26 1
1 {} {0.230414919284 0.526813894382 0.634959897313} H12 27 1
1 {} {0.210682629982 0.507731946676 0.47924948383} H13 28 1
1 {} {0.167644507432 0.32644807124 0.68844446753} H14 29 1
1 {} {0.203573562916 0.42250242142 0.762152364702} H15 30 1
1 {} {0.278062126523 0.31075123321 0.549324736049} H16 31 1
1 {} {0.199010046939 0.279027707542 0.544757885715} H17 32 1
1 {} {0.25980896485 0.368839546788 0.382881489474} H18 33 1
1 {} {0.204869969521 0.355526395199 0.376833719941} H19 34 1
1 {} {0.132827970101 0.494094988189 0.696843435453} H20 35 1
1 {} {0.110339957441 0.440507996391 0.623356062288} H21 36 1
6 {} {0.581605781002 0.352063594584 0.308498456327} C4 37 1
14 {} {0.577756006816 0.384511630666 0.426008147111} Si6 38 1
14 {} {0.565521905693 0.263017531066 0.290631977582} Si7 39 1
8 {} {0.606641816805 0.336074776898 0.493952951605} O5 40 1
8 {} {0.599244747319 0.460621291148 0.430537231514} O6 41 1
6 {} {0.518964666942 0.390475758618 0.463583402704} C5 42 1
6 {} {0.504643348313 0.252439311226 0.267065551342} C6 43 1
8 {} {0.58068351577 0.224391384564 0.384946747154} O7 44 1
8 {} {0.595209157657 0.226001755996 0.210766438298} O8 45 1
14 {} {0.642978451195 0.505369668347 0.459255838417} Si8 46 1
7 {} {0.627483736854 0.586465163806 0.486313289358} N4 47 1
14 {} {0.63403973204 0.614254034034 0.596814330142} Si9 48 1
14 {} {0.603647676772 0.640217317948 0.40734880702} Si10 49 1
7 {} {0.614801287524 0.62084837125 0.297671595655} N5 50 1
7 {} {0.686840614775 0.634130074554 0.63323920894} N6 51 1
1 {} {0.562102063929 0.383892935093 0.262743936228} H22 52 1
1 {} {0.616850385917 0.357236351322 0.288852828444} H23 53 1
1 {} {0.603933794202 0.289095754077 0.476306739352} H24 54 1
1 {} {0.501190751746 0.421968161083 0.416279216184} H25 55 1
1 {} {0.516672661986 0.41490878748 0.52965009111} H26 56 1
1 {} {0.501159186257 0.342427484557 0.465866004107} H27 57 1
1 {} {0.495350764674 0.199298631567 0.262466203705} H28 58 1
1 {} {0.495355796941 0.276542298253 0.203692949514} H29 59 1
1 {} {0.48422802821 0.275248489505 0.319885070658} H30 60 1
1 {} {0.583534627502 0.176082444425 0.382694443724} H31 61 1
1 {} {0.582034986007 0.222001045741 0.152015997255} H32 62 1
1 {} {0.665082617932 0.476761218843 0.539858155784} H33 63 1
1 {} {0.674769584099 0.505129376406 0.38255818142} H34 64 1
1 {} {0.606537384204 0.676294091645 0.603190635078} H35 65 1
1 {} {0.617686156652 0.561294611219 0.658200559633} H36 66 1
1 {} {0.553844110843 0.639428446319 0.414865234264} H37 67 1
1 {} {0.620597993069 0.709112549 0.425285192017} H38 68 1
1 {} {0.59840450501 0.58261356866 0.267600800483} H39 69 1
1 {} {0.646301209934 0.624540222481 0.273461861745} H40 70 1
1 {} {0.708261997782 0.596787381786 0.650877444833} H41 71 1
1 {} {0.703843381768 0.67321514335 0.605828830906} H42 72 1
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