./iterations/neb0_image06_iter232.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 {} {0.474629943864 0.231093881287 0.490146514442} O1 1 1
14 {} {0.329616690933 0.216644445122 0.565499667314} Si1 2 1
14 {} {0.608444263002 0.322375916457 0.462468309053} Si2 3 1
8 {} {0.578508219961 0.481045404368 0.486949216005} O2 4 1
8 {} {0.288522753569 0.350189210825 0.650952533141} O3 5 1
14 {} {0.284018772684 0.514864458095 0.649341732226} Si3 6 1
14 {} {0.490373569186 0.613540403293 0.448731431974} Si4 7 1
1 {} {0.333876364041 0.105829208094 0.662981140896} H1 8 1
1 {} {0.227062234982 0.189481409925 0.461903890747} H2 9 1
1 {} {0.648385286063 0.307896822271 0.320471420188} H3 10 1
1 {} {0.713206935672 0.289239821907 0.560715913345} H4 11 1
1 {} {0.146159570496 0.546718948385 0.698255166124} H5 12 1
1 {} {0.385488681634 0.574420735541 0.740649715484} H6 13 1
1 {} {0.388457600622 0.811794349054 0.527363632717} H7 14 1
1 {} {0.471356827532 0.643683463863 0.30425699862} H8 15 1
1 {} {0.590997533572 0.718813517759 0.493299697876} H10 16 1
8 {} {0.329821816051 0.577012289962 0.501266147894} O 17 1
1 {} {0.321158880475 0.777873671822 0.505805038377} 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