iterations/neb0_image03_iter25.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_image03
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
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@data
6 {} {0.352984421959 0.550224625607 0.422170366693} C1 1 1
14 {} {0.333953697078 0.517217910424 0.533259831137} Si1 2 1
14 {} {0.408177166697 0.592511301573 0.417933485386} Si2 3 1
8 {} {0.337206144158 0.577497810861 0.608517826116} O1 4 1
8 {} {0.280988886812 0.495328565739 0.525228970708} O2 5 1
6 {} {0.365558170473 0.441225765765 0.568673348787} C2 6 1
6 {} {0.457218386359 0.534937176882 0.411658119257} C3 7 1
8 {} {0.409839905431 0.636712412447 0.513181760687} O3 8 1
8 {} {0.40850068311 0.643519241672 0.330243701201} O4 9 1
14 {} {0.22871573992 0.500857070183 0.555862493959} Si3 10 1
7 {} {0.209048206798 0.422141867099 0.587318068228} N1 11 1
14 {} {0.173002373353 0.417863269954 0.679124409655} Si4 12 1
14 {} {0.224602863832 0.352148691801 0.52332534549} Si5 13 1
7 {} {0.22582288403 0.364689336039 0.409771968827} N2 14 1
7 {} {0.125501831637 0.466210486318 0.672034325897} N3 15 1
1 {} {0.352559081091 0.509776500494 0.372154312867} H1 16 1
1 {} {0.327996902952 0.587296162595 0.400183625083} H2 17 1
1 {} {0.360960071692 0.609643827617 0.595415877865} H3 18 1
1 {} {0.362228571973 0.400232105897 0.520175868712} H4 19 1
1 {} {0.3529087396 0.423154027195 0.633182869626} H5 20 1
1 {} {0.401278774025 0.452200797813 0.576915388981} H6 21 1
1 {} {0.489042151922 0.562495125573 0.410996894222} H7 22 1
1 {} {0.455796264877 0.504272497441 0.350746098663} H8 23 1
1 {} {0.45810705707 0.500814041822 0.469140708393} H9 24 1
1 {} {0.435025263833 0.66615566265 0.523374206404} H10 25 1
1 {} {0.436839412355 0.65209647287 0.30140555079} H11 26 1
1 {} {0.222923115293 0.546502563684 0.633886845627} H12 27 1
1 {} {0.203185157005 0.527422726221 0.478153108566} H13 28 1
1 {} {0.16013537168 0.346151131792 0.687337022833} H14 29 1
1 {} {0.196058339771 0.4421844737 0.761002704649} H15 30 1
1 {} {0.270528267063 0.330416857323 0.548191361536} H16 31 1
1 {} {0.191480747643 0.298714915194 0.543648565828} H17 32 1
1 {} {0.252288295123 0.388516769613 0.381764101902} H18 33 1
1 {} {0.197342520475 0.375244534534 0.375705430471} H19 34 1
1 {} {0.125315359184 0.513802153429 0.695721806712} H20 35 1
1 {} {0.102816750185 0.460203177885 0.622280147367} H21 36 1
6 {} {0.589008768261 0.332402280549 0.309704907803} C4 37 1
14 {} {0.584267078626 0.365901470158 0.426738873281} Si6 38 1
14 {} {0.573024623237 0.24334009074 0.291697139791} Si7 39 1
8 {} {0.612975474171 0.316898647827 0.494729724437} O5 40 1
8 {} {0.60683668442 0.440967993479 0.431693381145} O6 41 1
6 {} {0.525017295742 0.374489884518 0.463363802808} C5 42 1
6 {} {0.512133857701 0.232708056547 0.268168851789} C6 43 1
8 {} {0.588155298659 0.204729647337 0.386085107742} O7 44 1
8 {} {0.602698133221 0.206235855236 0.21189292837} O8 45 1
14 {} {0.650611994004 0.485806446266 0.460347877514} Si8 46 1
7 {} {0.635071816294 0.566856852359 0.487418401948} N4 47 1
14 {} {0.641535349897 0.594561517639 0.597702045769} Si9 48 1
14 {} {0.611134485289 0.620538501224 0.408394377786} Si10 49 1
7 {} {0.622309632782 0.60116602009 0.298904502003} N5 50 1
7 {} {0.694384914773 0.6144224667 0.634387573553} N6 51 1
1 {} {0.569597884248 0.364210824051 0.26378313101} H22 52 1
1 {} {0.624340335645 0.337572928612 0.290123329662} H23 53 1
1 {} {0.611329752906 0.269743504177 0.477215289902} H24 54 1
1 {} {0.505992717231 0.407448627262 0.418661705313} H25 55 1
1 {} {0.523743753865 0.396082247091 0.530806334277} H26 56 1
1 {} {0.508202212119 0.325620168293 0.465696775374} H27 57 1
1 {} {0.502881737393 0.179574613733 0.263579479293} H28 58 1
1 {} {0.502844256606 0.256854092125 0.204818251784} H29 59 1
1 {} {0.491746946187 0.255565286282 0.320998623298} H30 60 1
1 {} {0.591092509204 0.156405997818 0.383748528929} H31 61 1
1 {} {0.589553452969 0.202350398286 0.15306193905} H32 62 1
1 {} {0.672644130272 0.457072112654 0.541041395769} H33 63 1
1 {} {0.682301272596 0.48543612635 0.38367566274} H34 64 1
1 {} {0.614040987043 0.656622205502 0.60422898342} H35 65 1
1 {} {0.62518197355 0.541516256187 0.659297618884} H36 66 1
1 {} {0.561386874563 0.61988377638 0.416032139724} H37 67 1
1 {} {0.628165226337 0.689373255128 0.426299650489} H38 68 1
1 {} {0.605780569836 0.562888430796 0.26861441676} H39 69 1
1 {} {0.653866923128 0.604849150885 0.274525080915} H40 70 1
1 {} {0.715724768766 0.577195612373 0.651933329605} H41 71 1
1 {} {0.711310703935 0.653452956149 0.607028568264} H42 72 1
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