iterations/neb0_image07_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_image07
@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 {} {0.360302686631 0.530782640699 0.423242308655} C1 1 1
14 {} {0.34149218826 0.497433923279 0.53447274168} Si1 2 1
14 {} {0.414612998419 0.575559397712 0.417948648404} Si2 3 1
8 {} {0.344780469379 0.557673096028 0.609623546007} O1 4 1
8 {} {0.288546140995 0.475397001158 0.526421994231} O2 5 1
6 {} {0.373144435659 0.421390301168 0.569742142024} C2 6 1
6 {} {0.463423972009 0.519142606735 0.411659085742} C3 7 1
8 {} {0.416812623976 0.618057607047 0.514696721276} O3 8 1
8 {} {0.414965440558 0.625870544353 0.329430083955} O4 9 1
14 {} {0.236280056678 0.480911977676 0.556943151563} Si3 10 1
7 {} {0.216626591947 0.402236976468 0.58839254697} N1 11 1
14 {} {0.180628406311 0.397974233091 0.680271722496} Si4 12 1
14 {} {0.23220009339 0.332253788514 0.524388440653} Si5 13 1
7 {} {0.233420185598 0.344716105774 0.410820052505} N2 14 1
7 {} {0.133111450272 0.446300172753 0.673139579828} N3 15 1
1 {} {0.360263361577 0.490212476964 0.373265497087} H1 16 1
1 {} {0.334985694474 0.567355995681 0.401152818747} H2 17 1
1 {} {0.36857705453 0.589818479662 0.596561747841} H3 18 1
1 {} {0.369813132083 0.380370172592 0.521282605723} H4 19 1
1 {} {0.360493815797 0.403294045364 0.634240312702} H5 20 1
1 {} {0.408868362272 0.432312430742 0.578013483366} H6 21 1
1 {} {0.496141423061 0.544508535937 0.41215172551} H7 22 1
1 {} {0.461650621618 0.487085740309 0.35186799826} H8 23 1
1 {} {0.462321612359 0.48665079084 0.470785743772} H9 24 1
1 {} {0.442616545057 0.646451832471 0.524522228485} H10 25 1
1 {} {0.444181440242 0.632499914339 0.302892483973} H11 26 1
1 {} {0.230486607925 0.526611289211 0.63496551171} H12 27 1
1 {} {0.21075534369 0.507536072719 0.479225943603} H13 28 1
1 {} {0.167728253045 0.32624704417 0.688490684628} H14 29 1
1 {} {0.203668364927 0.422334089183 0.76215609186} H15 30 1
1 {} {0.278138266245 0.310541399825 0.549299474786} H16 31 1
1 {} {0.199075988707 0.278813995545 0.544760079013} H17 32 1
1 {} {0.259872267457 0.36864536129 0.382871932338} H18 33 1
1 {} {0.204944025541 0.35535733139 0.37682427793} H19 34 1
1 {} {0.132916657047 0.49390099765 0.696828515159} H20 35 1
1 {} {0.110426019649 0.440316711717 0.623405448473} H21 36 1
6 {} {0.581679754789 0.35212369 0.308469931756} C4 37 1
14 {} {0.577987496152 0.384167026643 0.426547261186} Si6 38 1
14 {} {0.565458546312 0.263177427979 0.290532361957} Si7 39 1
8 {} {0.607605995483 0.335827584142 0.493859989709} O5 40 1
8 {} {0.599089625811 0.460458898442 0.430566170681} O6 41 1
6 {} {0.519161630154 0.389479468133 0.464161269406} C5 42 1
6 {} {0.504558894824 0.252631641267 0.267056261545} C6 43 1
8 {} {0.580562486531 0.224607505644 0.384964369716} O7 44 1
8 {} {0.59512809591 0.226167398227 0.210708579066} O8 45 1
14 {} {0.642965324287 0.505615648833 0.459265737516} Si8 46 1
7 {} {0.627336789259 0.586671908317 0.486108477588} N4 47 1
14 {} {0.634077948502 0.614528493057 0.596830636893} Si9 48 1
14 {} {0.603537909663 0.640398445752 0.407540834654} Si10 49 1
7 {} {0.614697109939 0.620989042904 0.297947142078} N5 50 1
7 {} {0.68688834296 0.634365820369 0.633339191069} N6 51 1
1 {} {0.562064451722 0.384141753201 0.263005445652} H22 52 1
1 {} {0.616918592325 0.357379543675 0.288473323985} H23 53 1
1 {} {0.604082440059 0.288862426888 0.47657150215} H24 54 1
1 {} {0.501753888543 0.420645113179 0.415160614643} H25 55 1
1 {} {0.516822099095 0.414238181851 0.529417565486} H26 56 1
1 {} {0.501697164283 0.341081517138 0.466905162627} H27 57 1
1 {} {0.495316738932 0.199498171157 0.262479971999} H28 58 1
1 {} {0.49524835712 0.276731318918 0.20368282111} H29 59 1
1 {} {0.484161397638 0.275421689636 0.319911357245} H30 60 1
1 {} {0.583491470192 0.176292623607 0.382669447286} H31 61 1
1 {} {0.581956903821 0.222191022666 0.151967348341} H32 62 1
1 {} {0.66498390932 0.476929223436 0.539787023996} H33 63 1
1 {} {0.674622418017 0.505299205494 0.382577574428} H34 64 1
1 {} {0.606449553678 0.676485069928 0.603070766092} H35 65 1
1 {} {0.617579927261 0.561380495168 0.658181637533} H36 66 1
1 {} {0.553769658948 0.6396425771 0.414807108963} H37 67 1
1 {} {0.620497508825 0.709248457136 0.425186468259} H38 68 1
1 {} {0.598208689238 0.582691890525 0.267403393273} H39 69 1
1 {} {0.646359383971 0.624769962729 0.273378031112} H40 70 1
1 {} {0.708114336044 0.597162273313 0.650782067968} H41 71 1
1 {} {0.70372454395 0.673258686549 0.60601211453} H42 72 1
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