iterations/neb0_image09_iter167.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@data
8 {} {0.471799991524 0.216984088099 0.493934294089} O1 1 1
14 {} {0.333975564325 0.215517500739 0.582654176365} Si1 2 1
14 {} {0.6056184295 0.298668920035 0.444530899763} Si2 3 1
8 {} {0.567155169509 0.452242073179 0.400532188726} O2 4 1
8 {} {0.323388454575 0.349677134554 0.678168125501} O3 5 1
14 {} {0.299147775571 0.51211478971 0.672812956432} Si3 6 1
14 {} {0.510042886996 0.597864173719 0.451764982702} Si4 7 1
1 {} {0.335946789601 0.0968213442928 0.671918186547} H1 8 1
1 {} {0.21840309312 0.213001243547 0.488666655939} H2 9 1
1 {} {0.659436319565 0.229083823724 0.325064710945} H3 10 1
1 {} {0.704477145649 0.302548449887 0.556224211302} H4 11 1
1 {} {0.153816162215 0.540431560079 0.658703929642} H5 12 1
1 {} {0.355056078489 0.568531303003 0.798688801083} H6 13 1
1 {} {0.319276794273 0.902060038927 0.424680703591} H7 14 1
1 {} {0.473870440809 0.677259806218 0.331640944866} H8 15 1
1 {} {0.614573952706 0.665099893379 0.533925911856} H10 16 1
8 {} {0.373978823036 0.578606678556 0.542537604096} O 17 1
1 {} {0.29012223571 0.856005097536 0.474608450667} H14 18 1
@end
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	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
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
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	Atom2	reference	AsymmetricAtom
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@data
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11 5 0 0
7 1 0 0
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6 3 0 0
5 4 0 0
10 2 0 0
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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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9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
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12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end