./iterations/neb0_image05_iter88.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471177674158 0.224720996302 0.488830799734} O1 1 1
14 {} {0.332654558779 0.223697841905 0.575351311066} Si1 2 1
14 {} {0.589522173595 0.333022755248 0.444663994571} Si2 3 1
8 {} {0.53041349586 0.481251407141 0.419869869261} O2 4 1
8 {} {0.326823391928 0.357070240378 0.675248660089} O3 5 1
14 {} {0.287988657088 0.514969671894 0.682960588341} Si3 6 1
14 {} {0.501702288362 0.647505499284 0.428560667815} Si4 7 1
1 {} {0.32626822798 0.101264916452 0.661514996766} H1 8 1
1 {} {0.214882274487 0.231903727784 0.483639920533} H2 9 1
1 {} {0.65062885277 0.279562484906 0.320263098598} H3 10 1
1 {} {0.686965259384 0.333314427841 0.557242336264} H4 11 1
1 {} {0.142057729768 0.540882822327 0.673456781137} H5 12 1
1 {} {0.356345961776 0.574046701724 0.800493995986} H6 13 1
1 {} {0.400518815049 0.772050994088 0.435266022132} H7 14 1
1 {} {0.532537050478 0.674611150259 0.285032224743} H8 15 1
1 {} {0.598413234919 0.696073474761 0.529286431828} H10 16 1
8 {} {0.343790739986 0.595822723389 0.544322706594} O 17 1
1 {} {0.317395714002 0.690746101255 0.525053583588} 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