iterations/neb0_image09_iter34.sci output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)

Status: terminated
#MD System 2.0

@Title neb0_image09

@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 {} {0.224994351125 0.525088232448 0.342168302385} C1 1 1
14 {} {0.278589003736 0.487980927633 0.300245414952} Si1 2 1
14 {} {0.178480730028 0.533536503001 0.261374873865} Si2 3 1
8 {} {0.291526841193 0.520452846889 0.202231234104} O1 4 1
8 {} {0.317199184074 0.509930744688 0.372744025308} O2 5 1
6 {} {0.277215371341 0.394806016061 0.293783447248} C2 6 1
6 {} {0.147006946388 0.45379329366 0.243585420914} C3 7 1
8 {} {0.203013952108 0.56004080643 0.167388717862} O3 8 1
8 {} {0.143046969057 0.594323041934 0.288733093061} O4 9 1
14 {} {0.368995841302 0.537082792509 0.375348659393} Si3 10 1
7 {} {0.40155258434 0.470827553759 0.415098025128} N1 11 1
14 {} {0.451157293038 0.467055882558 0.35893007569} Si4 12 1
14 {} {0.383698824125 0.418709211263 0.502196577126} Si5 13 1
7 {} {0.35535913094 0.457602216422 0.588100897174} N2 14 1
7 {} {0.45569837714 0.558677495549 0.342853190584} N3 15 1
1 {} {0.213624957866 0.496434403471 0.400750454234} H1 16 1
1 {} {0.233173431108 0.57583031717 0.366329498769} H2 17 1
1 {} {0.266195788284 0.541260866953 0.171761064735} H3 18 1
1 {} {0.272005677111 0.371718205109 0.359499084296} H4 19 1
1 {} {0.30890456666 0.375690153567 0.267047527955} H5 20 1
1 {} {0.250452078119 0.377826411905 0.249040519473} H6 21 1
1 {} {0.120463215364 0.460070819805 0.193574223568} H7 22 1
1 {} {0.131439704529 0.43621957345 0.305850955731} H8 23 1
1 {} {0.169322978247 0.41383710867 0.220086043354} H9 24 1
1 {} {0.18436187122 0.582615414711 0.124020701452} H10 25 1
1 {} {0.114750063178 0.581790268381 0.314838861382} H11 26 1
1 {} {0.384849556296 0.556495998238 0.285263346005} H12 27 1
1 {} {0.369889277377 0.596057192506 0.437873760006} H13 28 1
1 {} {0.48261678443 0.430463289183 0.421036073237} H14 29 1
1 {} {0.458709878718 0.440631802401 0.268368432634} H15 30 1
1 {} {0.352367550064 0.368239715895 0.462735507694} H16 31 1
1 {} {0.424380047635 0.38560049991 0.540290745306} H17 32 1
1 {} {0.323894754959 0.474563374866 0.576140110497} H18 33 1
1 {} {0.371626047735 0.488575854167 0.631115093648} H19 34 1
1 {} {0.491799915229 0.565130519369 0.323264207455} H20 35 1
1 {} {0.446376318092 0.582517992673 0.40154730341} H21 36 1
6 {} {0.643873867356 0.643650194602 0.47039850496} C4 37 1
14 {} {0.604997572208 0.580777271049 0.431879987969} Si6 38 1
14 {} {0.634351432793 0.729043407138 0.424486624008} Si7 39 1
8 {} {0.590764457156 0.587421602795 0.324545251714} O5 40 1
8 {} {0.619030491 0.501963320723 0.445907956046} O6 41 1
6 {} {0.554079647766 0.586418096044 0.501341597039} C5 42 1
6 {} {0.58526288443 0.777369282922 0.469990348517} C6 43 1
8 {} {0.628766618704 0.716720742238 0.314486472648} O7 44 1
8 {} {0.681138580701 0.772291043624 0.439368178357} O8 45 1
14 {} {0.6265009266 0.42357591373 0.418948982888} Si8 46 1
7 {} {0.580498027917 0.372165406577 0.437150173849} N4 47 1
14 {} {0.561112169129 0.322604705558 0.348665808265} Si9 48 1
14 {} {0.556334344383 0.368319008472 0.544518414632} Si10 49 1
7 {} {0.592130639966 0.38702892767 0.630159007135} N5 50 1
7 {} {0.595889608091 0.260038455274 0.31064589336} N6 51 1
1 {} {0.633514036359 0.642600690434 0.541430695161} H22 52 1
1 {} {0.678713281726 0.627714722767 0.460636286976} H23 53 1
1 {} {0.603004254232 0.625815585809 0.292767407257} H24 54 1
1 {} {0.552697852604 0.585188320352 0.575754224996} H25 55 1
1 {} {0.547736180981 0.532771662159 0.47423110393} H26 56 1
1 {} {0.53082807715 0.624735978276 0.472406808835} H27 57 1
1 {} {0.584444935324 0.82789998927 0.440497989443} H28 58 1
1 {} {0.587207989351 0.783348862444 0.542887899841} H29 59 1
1 {} {0.552991529066 0.75370577565 0.454796303158} H30 60 1
1 {} {0.636159287304 0.754010105542 0.27590648637} H31 61 1
1 {} {0.68082049004 0.805505250623 0.486332138251} H32 62 1
1 {} {0.637398112171 0.418786409005 0.321277920984} H33 63 1
1 {} {0.665641863555 0.403130288319 0.47391155741} H34 64 1
1 {} {0.519254991476 0.290726832431 0.381296452137} H35 65 1
1 {} {0.55273713746 0.365909817091 0.269221566182} H36 66 1
1 {} {0.51989940507 0.418137283534 0.554891461165} H37 67 1
1 {} {0.538653289977 0.29894490777 0.555262609892} H38 68 1
1 {} {0.597631092758 0.435857666835 0.64583485157} H39 69 1
1 {} {0.619060686711 0.35833407643 0.644772042422} H40 70 1
1 {} {0.620475074268 0.271202999722 0.266464823949} H41 71 1
1 {} {0.605337161746 0.222111080779 0.351518791528} H42 72 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
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@end
@Columns AsymmetricBond
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	Atom2	reference	AsymmetricAtom
	Key	int	0
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@end
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@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
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@end
@Columns Subset
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@end
@data
@end