iterations/neb0_image04_iter7.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 {{}}
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@data
6 {} {0.354799862611 0.545437879425 0.422446747022} C1 1 1
14 {} {0.335743212974 0.512439016039 0.533476226107} Si1 2 1
14 {} {0.410002944337 0.587627890112 0.418234169259} Si2 3 1
8 {} {0.33901122671 0.572668483533 0.608732025997} O1 4 1
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8 {} {0.410337910248 0.638507370269 0.330459920059} O4 9 1
14 {} {0.230518666629 0.496024280617 0.556135336776} Si3 10 1
7 {} {0.210858176809 0.417325103064 0.587589514288} N1 11 1
14 {} {0.174825873878 0.413001883757 0.679453134213} Si4 12 1
14 {} {0.226450234808 0.347293340983 0.523621927457} Si5 13 1
7 {} {0.227675989649 0.359656066035 0.410007314758} N2 14 1
7 {} {0.127301337507 0.461316565839 0.672273844065} N3 15 1
1 {} {0.354346701274 0.505012507972 0.372400600973} H1 16 1
1 {} {0.329867554112 0.58258718501 0.400432379725} H2 17 1
1 {} {0.362788033926 0.604850393899 0.595686298419} H3 18 1
1 {} {0.364065810642 0.395470148516 0.520391555817} H4 19 1
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1 {} {0.457636363907 0.499428763147 0.351026099394} H8 23 1
1 {} {0.459998881529 0.495962852666 0.469346791389} H9 24 1
1 {} {0.436882398376 0.661300033078 0.523612621884} H10 25 1
1 {} {0.438704354227 0.647270604582 0.301690562499} H11 26 1
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1 {} {0.197863130573 0.437343685358 0.761333734514} H15 30 1
1 {} {0.272377420161 0.325644742232 0.548542922705} H16 31 1
1 {} {0.193323939459 0.293916980693 0.543934372235} H17 32 1
1 {} {0.254106050595 0.383695164035 0.382101194289} H18 33 1
1 {} {0.199205817264 0.370368594312 0.376040530555} H19 34 1
1 {} {0.127123725541 0.508915079292 0.696026691467} H20 35 1
1 {} {0.104643483478 0.45538279121 0.622493547155} H21 36 1
6 {} {0.587175229567 0.337237285464 0.309436312524} C4 37 1
14 {} {0.582406524248 0.370758004902 0.426443005948} Si6 38 1
14 {} {0.571223834609 0.24817012247 0.291540983723} Si7 39 1
8 {} {0.611055765007 0.32169754905 0.494463352801} O5 40 1
8 {} {0.605017103504 0.445789582915 0.431414999918} O6 41 1
6 {} {0.523210700532 0.379341779846 0.463085328859} C5 42 1
6 {} {0.510328054909 0.237535924844 0.267907822842} C6 43 1
8 {} {0.58649658819 0.209492404116 0.385792108723} O7 44 1
8 {} {0.600916417398 0.211185430921 0.211626223309} O8 45 1
14 {} {0.648770574978 0.49066142332 0.460075168641} Si8 46 1
7 {} {0.633247442672 0.571706015112 0.487144304776} N4 47 1
14 {} {0.639636209262 0.599362927514 0.597473210174} Si9 48 1
14 {} {0.609356868091 0.625390315175 0.407990981864} Si10 49 1
7 {} {0.620360375604 0.606317219904 0.298381585765} N5 50 1
7 {} {0.692631789956 0.619182300727 0.633746491101} N6 51 1
1 {} {0.567751389852 0.368997789088 0.263478498761} H22 52 1
1 {} {0.62250559525 0.342371293099 0.289846468618} H23 53 1
1 {} {0.609473663182 0.274587273695 0.476956691583} H24 54 1
1 {} {0.504136997306 0.412256699122 0.418519998414} H25 55 1
1 {} {0.521927832623 0.400937793442 0.530503479187} H26 56 1
1 {} {0.506365335967 0.330524356075 0.465440426677} H27 57 1
1 {} {0.500990963372 0.18443092594 0.263253027278} H28 58 1
1 {} {0.50107572634 0.261696388346 0.204533289039} H29 59 1
1 {} {0.489899565645 0.260434721892 0.320641888237} H30 60 1
1 {} {0.589181270215 0.161155154652 0.383546857376} H31 61 1
1 {} {0.587728874333 0.207136391043 0.152916786472} H32 62 1
1 {} {0.670781720564 0.461871532514 0.54075963444} H33 63 1
1 {} {0.680484654122 0.49025574135 0.383450796622} H34 64 1
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1 {} {0.559616465816 0.624541370596 0.415800271214} H37 67 1
1 {} {0.626325744612 0.694223167152 0.42627499306} H38 68 1
1 {} {0.604074259286 0.567563346491 0.268451408872} H39 69 1
1 {} {0.652135830981 0.609670077521 0.274179338113} H40 70 1
1 {} {0.71384312449 0.582052582354 0.651634644617} H41 71 1
1 {} {0.709435727392 0.658170302207 0.606655730761} H42 72 1
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