./iterations/neb0_image06_iter4.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
WyckoffPosition int -1
@end
@data
6 {} {0.358492665667 0.535793918556 0.422974709815} C1 1 1
14 {} {0.339400402055 0.502786687187 0.53402659268} Si1 2 1
14 {} {0.413691138025 0.578018172796 0.418736156341} Si2 3 1
8 {} {0.342694285154 0.563045638152 0.60927228387} O1 4 1
8 {} {0.286550240079 0.48079149628 0.526078001117} O2 5 1
6 {} {0.371084629781 0.426821982123 0.56941599359} C2 6 1
6 {} {0.462585397255 0.520727722123 0.412551708362} C3 7 1
8 {} {0.415325899558 0.622305892741 0.51387169055} O3 8 1
8 {} {0.414023435005 0.628831937932 0.330968302902} O4 9 1
14 {} {0.234178960774 0.486371544636 0.556702040965} Si3 10 1
7 {} {0.214549632141 0.407700188015 0.588124101627} N1 11 1
14 {} {0.178511883965 0.403361616262 0.679958174936} Si4 12 1
14 {} {0.2301385472 0.337702968634 0.524176286017} Si5 13 1
7 {} {0.231367593031 0.350026618692 0.410569214503} N2 14 1
7 {} {0.131001040644 0.451666042179 0.672801256498} N3 15 1
1 {} {0.358030617624 0.495358147892 0.372929030139} H1 16 1
1 {} {0.333551446613 0.572955649427 0.400965888017} H2 17 1
1 {} {0.366473007584 0.595200757973 0.596227462035} H3 18 1
1 {} {0.367755530743 0.385823687981 0.520917168257} H4 19 1
1 {} {0.358404628748 0.408764781308 0.633916212121} H5 20 1
1 {} {0.406792015095 0.437798300236 0.577707336151} H6 21 1
1 {} {0.494564185944 0.547955487699 0.411760409513} H7 22 1
1 {} {0.461311810555 0.48979668253 0.351524097775} H8 23 1
1 {} {0.463622287678 0.486491060264 0.469817327782} H9 24 1
1 {} {0.44057668693 0.651643482352 0.52415290766} H10 25 1
1 {} {0.442388276542 0.637620791039 0.302232760009} H11 26 1
1 {} {0.228409264122 0.532063849172 0.634699793252} H12 27 1
1 {} {0.20867271208 0.51296518891 0.478984352788} H13 28 1
1 {} {0.165620084988 0.331639486076 0.688108348021} H14 29 1
1 {} {0.201546149018 0.427683520201 0.761874909251} H15 30 1
1 {} {0.276075645949 0.315991808691 0.549091960044} H16 31 1
1 {} {0.197014984544 0.284265463486 0.54446653555} H17 32 1
1 {} {0.257797623495 0.374052216628 0.382633533912} H18 33 1
1 {} {0.202893175103 0.36071746561 0.376571005988} H19 34 1
1 {} {0.130806053684 0.499261462727 0.696566905026} H20 35 1
1 {} {0.108329164836 0.445737620644 0.623024356427} H21 36 1
6 {} {0.58348252617 0.346885294608 0.308904661928} C4 37 1
14 {} {0.578665547228 0.380307010649 0.425982980655} Si6 38 1
14 {} {0.567530266887 0.25777202493 0.290972281575} Si7 39 1
8 {} {0.607357903753 0.331363436943 0.493899541561} O5 40 1
8 {} {0.601361005729 0.455534977942 0.430881211209} O6 41 1
6 {} {0.519578152117 0.388867896908 0.462361234869} C5 42 1
6 {} {0.506630905302 0.247184219834 0.267346318657} C6 43 1
8 {} {0.582795241125 0.219147708722 0.385255403659} O7 44 1
8 {} {0.597245061742 0.220807047419 0.211114180185} O8 45 1
14 {} {0.645103119405 0.500268074202 0.459648295524} Si8 46 1
7 {} {0.629511548286 0.581395019525 0.486297098664} N4 47 1
14 {} {0.636056031763 0.6090646316 0.5971540113} Si9 48 1
14 {} {0.605676683134 0.635083212696 0.407671583369} Si10 49 1
7 {} {0.616724026138 0.615933993586 0.297478206077} N5 50 1
7 {} {0.688774169538 0.628743236062 0.633097764} N6 51 1
1 {} {0.564063569527 0.37863575994 0.262945711318} H22 52 1
1 {} {0.618809684763 0.352011931726 0.289310063656} H23 53 1
1 {} {0.605780680864 0.284230725695 0.476425597244} H24 54 1
1 {} {0.500608723886 0.421596470196 0.418129966004} H25 55 1
1 {} {0.518242240763 0.410603174234 0.530028457097} H26 56 1
1 {} {0.502688079554 0.340166958855 0.464924373689} H27 57 1
1 {} {0.497293589033 0.194069030576 0.262702968028} H28 58 1
1 {} {0.497393833486 0.27134873292 0.203983763646} H29 59 1
1 {} {0.486208783002 0.270093294753 0.320089976336} H30 60 1
1 {} {0.585476245828 0.170800569079 0.383016338929} H31 61 1
1 {} {0.584037307484 0.216772751417 0.152377157576} H32 62 1
1 {} {0.66708476828 0.471513003115 0.540187376987} H33 63 1
1 {} {0.676805951789 0.499902948627 0.382905654909} H34 64 1
1 {} {0.608539738708 0.67119866001 0.603709129225} H35 65 1
1 {} {0.619689413129 0.556019919475 0.65891872006} H36 66 1
1 {} {0.555959775698 0.634146186528 0.415288300452} H37 67 1
1 {} {0.622628076923 0.703827424255 0.425787614381} H38 68 1
1 {} {0.600414348909 0.577243842766 0.267992620815} H39 69 1
1 {} {0.648395255306 0.619327473888 0.273720962893} H40 70 1
1 {} {0.710201278395 0.591643748977 0.651121079755} H41 71 1
1 {} {0.705787332229 0.667876597634 0.606056890085} H42 72 1
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