iterations/neb0_image06_iter22.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_image06
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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@data
6 {} {0.358449677624 0.535642157708 0.423010922176} C1 1 1
14 {} {0.339514023507 0.502425023926 0.534101701398} Si1 2 1
14 {} {0.413102089962 0.579261042319 0.418248216159} Si2 3 1
8 {} {0.342856174354 0.562673553996 0.609337140775} O1 4 1
8 {} {0.286660436573 0.480298601821 0.526081104117} O2 5 1
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6 {} {0.462100312407 0.522509982049 0.411805476123} C3 7 1
8 {} {0.41521778578 0.622445452372 0.51437109763} O3 8 1
8 {} {0.413588097278 0.629887127454 0.33008494591} O4 9 1
14 {} {0.23429302601 0.486033159238 0.55667374955} Si3 10 1
7 {} {0.214660180508 0.407366654797 0.588150775564} N1 11 1
14 {} {0.178654030428 0.403060667545 0.680051682439} Si4 12 1
14 {} {0.230243047784 0.337360867307 0.524144010891} Si5 13 1
7 {} {0.231474734305 0.349582465509 0.410495277793} N2 14 1
7 {} {0.131114782953 0.451331144998 0.672909395697} N3 15 1
1 {} {0.358210392522 0.495178257288 0.372997793655} H1 16 1
1 {} {0.33342230995 0.572556370368 0.400938922175} H2 17 1
1 {} {0.366596810399 0.594886340896 0.596214776012} H3 18 1
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1 {} {0.358533990265 0.408424771747 0.633943541664} H5 20 1
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1 {} {0.49438912488 0.548589823052 0.411896386497} H7 22 1
1 {} {0.460532404171 0.491013672295 0.351757877605} H8 23 1
1 {} {0.462008804451 0.489303924323 0.46994267076} H9 24 1
1 {} {0.440684299294 0.651483729662 0.524142768318} H10 25 1
1 {} {0.442427076752 0.63750325127 0.302475977827} H11 26 1
1 {} {0.228564775802 0.531747703426 0.634619546757} H12 27 1
1 {} {0.208830115708 0.512672272154 0.478929304266} H13 28 1
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1 {} {0.201718003699 0.42746806833 0.761913537347} H15 30 1
1 {} {0.276175665548 0.315697533042 0.54904599661} H16 31 1
1 {} {0.197112691741 0.283968758165 0.544511992805} H17 32 1
1 {} {0.257884206524 0.373729338117 0.382663693146} H18 33 1
1 {} {0.202993029684 0.360439366264 0.376604786875} H19 34 1
1 {} {0.130949784812 0.498962486721 0.696549119849} H20 35 1
1 {} {0.108472067842 0.445403963273 0.623074960748} H21 36 1
6 {} {0.58346031814 0.347161223637 0.308821459732} C4 37 1
14 {} {0.579394571927 0.379855331288 0.426207612612} Si6 38 1
14 {} {0.567411050557 0.258114727684 0.290879653074} Si7 39 1
8 {} {0.608217958692 0.331219098514 0.494163055444} O5 40 1
8 {} {0.601153575478 0.455640296003 0.430855525355} O6 41 1
6 {} {0.520428533438 0.386574414306 0.463535835434} C5 42 1
6 {} {0.50652490188 0.247489916358 0.267296380887} C6 43 1
8 {} {0.582513849398 0.219432505809 0.385204905476} O7 44 1
8 {} {0.597161401429 0.221284213647 0.210962061664} O8 45 1
14 {} {0.644899924424 0.500450339201 0.459615799348} Si8 46 1
7 {} {0.629358815641 0.581554337328 0.486574607178} N4 47 1
14 {} {0.635979992717 0.609381176321 0.597021090358} Si9 48 1
14 {} {0.605472746362 0.635309501879 0.407693403946} Si10 49 1
7 {} {0.616689174518 0.615761288027 0.298136626249} N5 50 1
7 {} {0.688743824472 0.629298371905 0.633650188169} N6 51 1
1 {} {0.563973624219 0.378984502727 0.26302273491} H22 52 1
1 {} {0.618731856429 0.352321568902 0.289139265208} H23 53 1
1 {} {0.60581819288 0.284200731625 0.476517690675} H24 54 1
1 {} {0.502248707383 0.418547566396 0.416797588969} H25 55 1
1 {} {0.518442655526 0.41014181808 0.529903284972} H26 56 1
1 {} {0.503022540489 0.338132679568 0.465870305051} H27 57 1
1 {} {0.497242164513 0.194351942186 0.262739925293} H28 58 1
1 {} {0.497205582814 0.271602720165 0.203945536075} H29 59 1
1 {} {0.486138748008 0.270298611978 0.320164712626} H30 60 1
1 {} {0.585457958125 0.171124512649 0.382919312726} H31 61 1
1 {} {0.583916884746 0.217088874749 0.15228527179} H32 62 1
1 {} {0.666983135052 0.471832591401 0.540247681251} H33 63 1
1 {} {0.676627969764 0.5002105852 0.382910529205} H34 64 1
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1 {} {0.555697436101 0.63460298333 0.415108515577} H37 67 1
1 {} {0.622494368707 0.704234950747 0.425439935268} H38 68 1
1 {} {0.600219889311 0.577664396795 0.267792057492} H39 69 1
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1 {} {0.710112099533 0.591924440367 0.651117801218} H41 71 1
1 {} {0.7057354965 0.668298658568 0.606134323728} H42 72 1
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