./iterations/neb0_image06_iter207.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.475327076679 0.225662315209 0.485296544027} O1 1 1
14 {} {0.331386127477 0.216429250975 0.565205102695} Si1 2 1
14 {} {0.609226933371 0.318078415594 0.458763903286} Si2 3 1
8 {} {0.572505182122 0.476494129362 0.472586726362} O2 4 1
8 {} {0.300030501794 0.353154849502 0.650846227492} O3 5 1
14 {} {0.285417949863 0.516129679601 0.652811733921} Si3 6 1
14 {} {0.486612787773 0.613274875551 0.447971287683} Si4 7 1
1 {} {0.335523283451 0.103831329057 0.66430416119} H1 8 1
1 {} {0.224398475313 0.197833272691 0.462243491007} H2 9 1
1 {} {0.65417068157 0.293582908781 0.31929281289} H3 10 1
1 {} {0.713203097893 0.292894229232 0.562516539724} H4 11 1
1 {} {0.145221225017 0.547871860901 0.695107156791} H5 12 1
1 {} {0.382234570455 0.577579164945 0.746436183098} H6 13 1
1 {} {0.389378749794 0.810496033349 0.531357536828} H7 14 1
1 {} {0.468080733166 0.654484396874 0.305929397243} H8 15 1
1 {} {0.586585457254 0.712809361171 0.502338430008} H10 16 1
8 {} {0.329440694716 0.576856716798 0.505210393594} O 17 1
1 {} {0.321342398855 0.7850550996 0.502840478158} 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