iterations/neb0_image07_iter33.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_image07

@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 {} {0.218756036041 0.526266123021 0.331906717977} C1 1 1
14 {} {0.27255275345 0.489167938623 0.290002153303} Si1 2 1
14 {} {0.172097624207 0.534760267141 0.251055373922} Si2 3 1
8 {} {0.285206045745 0.521783430895 0.191920771693} O1 4 1
8 {} {0.312218400456 0.510165960744 0.361274657454} O2 5 1
6 {} {0.270778579139 0.39596574148 0.283370915629} C2 6 1
6 {} {0.140595928745 0.455023769764 0.233278473838} C3 7 1
8 {} {0.196535760945 0.560962600812 0.156850319785} O3 8 1
8 {} {0.136680357242 0.595620451311 0.278404591231} O4 9 1
14 {} {0.363785705826 0.538493996241 0.365843937816} Si3 10 1
7 {} {0.397653780129 0.47432519779 0.407003645971} N1 11 1
14 {} {0.45039943078 0.472534333397 0.360130734708} Si4 12 1
14 {} {0.378101067596 0.420759020245 0.491427019218} Si5 13 1
7 {} {0.349203702775 0.458886881712 0.576793041354} N2 14 1
7 {} {0.465168500052 0.556704571159 0.356733469592} N3 15 1
1 {} {0.207197367967 0.497643135138 0.390398780725} H1 16 1
1 {} {0.226733377837 0.57705242761 0.356051452344} H2 17 1
1 {} {0.259826186213 0.54241845115 0.161435498984} H3 18 1
1 {} {0.265586188823 0.372887063758 0.349116760479} H4 19 1
1 {} {0.302488866957 0.376918338005 0.256585198309} H5 20 1
1 {} {0.244001869946 0.378987507206 0.238579781582} H6 21 1
1 {} {0.114060887651 0.461239724894 0.183227711241} H7 22 1
1 {} {0.125030399482 0.437365814225 0.295510926384} H8 23 1
1 {} {0.162948541323 0.415103751948 0.20974468844} H9 24 1
1 {} {0.177989996992 0.583729883112 0.113561457181} H10 25 1
1 {} {0.108333087262 0.583130021817 0.304300346614} H11 26 1
1 {} {0.380192486672 0.558249387444 0.276078586955} H12 27 1
1 {} {0.363218482504 0.59727229491 0.427500645314} H13 28 1
1 {} {0.47730793976 0.424981465626 0.416974491623} H14 29 1
1 {} {0.45433385778 0.451153397861 0.265481923372} H15 30 1
1 {} {0.346730962263 0.371330558915 0.450866143112} H16 31 1
1 {} {0.418079161698 0.386996744195 0.529894999587} H17 32 1
1 {} {0.31766640277 0.475687135404 0.565256005049} H18 33 1
1 {} {0.36525517268 0.489645097735 0.620290669598} H19 34 1
1 {} {0.494810230431 0.566243978255 0.322766300918} H20 35 1
1 {} {0.466722844697 0.578383355375 0.418237897304} H21 36 1
6 {} {0.64434564525 0.640802166416 0.480671497891} C4 37 1
14 {} {0.605082894543 0.577107007415 0.436485156402} Si6 38 1
14 {} {0.639512497518 0.726898557098 0.435425723902} Si7 39 1
8 {} {0.59818901088 0.584905325145 0.326998631649} O5 40 1
8 {} {0.622966556536 0.500944767373 0.456854722004} O6 41 1
6 {} {0.550743710182 0.583498825535 0.493411916184} C5 42 1
6 {} {0.591506752699 0.776624400399 0.480526091419} C6 43 1
8 {} {0.634748814818 0.715460869222 0.325159009292} O7 44 1
8 {} {0.686865377477 0.768585746736 0.450893053596} O8 45 1
14 {} {0.632450547995 0.422807332141 0.42945403457} Si8 46 1
7 {} {0.586881304783 0.370878278456 0.447122303791} N4 47 1
14 {} {0.567471089837 0.321591108466 0.358890700366} Si9 48 1
14 {} {0.562251549287 0.367611301515 0.554001988098} Si10 49 1
7 {} {0.597797171287 0.386320468282 0.64019007299} N5 50 1
7 {} {0.602177667947 0.258758790759 0.320900728132} N6 51 1
1 {} {0.63798231535 0.641172395799 0.553125051579} H22 52 1
1 {} {0.678552254316 0.62263596638 0.468903548597} H23 53 1
1 {} {0.611129879146 0.625802403609 0.301770149333} H24 54 1
1 {} {0.550239255959 0.576355031033 0.566244857972} H25 55 1
1 {} {0.534341298987 0.539792396799 0.462827084559} H26 56 1
1 {} {0.532933860803 0.629371719783 0.475467255147} H27 57 1
1 {} {0.590761405447 0.827061525663 0.451053610529} H28 58 1
1 {} {0.593537962569 0.782306123696 0.553457342316} H29 59 1
1 {} {0.559369038521 0.752664084341 0.465355725998} H30 60 1
1 {} {0.642702575685 0.752805525042 0.287010022537} H31 61 1
1 {} {0.68704849334 0.803162038482 0.496182000921} H32 62 1
1 {} {0.643756725851 0.418087349922 0.332227651652} H33 63 1
1 {} {0.671637970178 0.402689554116 0.484142367287} H34 64 1
1 {} {0.525626430997 0.289731780295 0.391748946691} H35 65 1
1 {} {0.559192716148 0.364732255041 0.279218338941} H36 66 1
1 {} {0.525261251868 0.416967797903 0.561507526191} H37 67 1
1 {} {0.54504671167 0.298030587072 0.565596413048} H38 68 1
1 {} {0.603911458641 0.434986316894 0.655889152709} H39 69 1
1 {} {0.624714592699 0.357203092164 0.654133440078} H40 70 1
1 {} {0.626890490541 0.270033676709 0.277019813909} H41 71 1
1 {} {0.611802582675 0.221076559026 0.362086079722} 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}}}
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@data
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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
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@data
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