./iterations/neb0_image04_iter275.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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
8 {} {0.468449021872 0.261783289015 0.491736599976} O1 1 1
14 {} {0.326716315053 0.230282552685 0.566631413517} Si1 2 1
14 {} {0.600525382637 0.347734762904 0.44945925574} Si2 3 1
8 {} {0.564873075531 0.506367494614 0.432705148079} O2 4 1
8 {} {0.279130725704 0.350814850883 0.666290045129} O3 5 1
14 {} {0.234324374275 0.503991466955 0.698650601176} Si3 6 1
14 {} {0.589079329089 0.6652848098 0.403472364621} Si4 7 1
1 {} {0.34421882051 0.109178503259 0.650015118389} H1 8 1
1 {} {0.22306954577 0.21349534336 0.462612035013} H2 9 1
1 {} {0.649658440081 0.295842513349 0.319308263184} H3 10 1
1 {} {0.702302537009 0.33220147309 0.556299729271} H4 11 1
1 {} {0.107201349535 0.501297301606 0.778245644717} H5 12 1
1 {} {0.341821613877 0.572119614628 0.776522200351} H6 13 1
1 {} {0.468576244817 0.741938653898 0.447203039162} H7 14 1
1 {} {0.608410460923 0.684541638241 0.257221632019} H8 15 1
1 {} {0.708294270385 0.713094148561 0.478562760385} H10 16 1
8 {} {0.215500589264 0.576596866587 0.551861225066} O 17 1
1 {} {0.177933829714 0.665952464442 0.544261251308} H14 18 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
{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
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end