./iterations/neb0_image03_iter173.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.460111062401 0.260844808419 0.493553239323} O1 1 1
14 {} {0.324790874266 0.235472115902 0.582599768843} Si1 2 1
14 {} {0.582963788385 0.34997077165 0.431932735095} Si2 3 1
8 {} {0.529219216313 0.493363758614 0.373121612076} O2 4 1
8 {} {0.307881925283 0.349899349918 0.700531593749} O3 5 1
14 {} {0.262386194544 0.50442605928 0.731251816886} Si3 6 1
14 {} {0.557854439765 0.655204336329 0.363879988383} Si4 7 1
1 {} {0.33824431213 0.102506884243 0.648462702472} H1 8 1
1 {} {0.206108902674 0.239694244055 0.492039463456} H2 9 1
1 {} {0.639837122578 0.272013351332 0.319150339723} H3 10 1
1 {} {0.683627702972 0.374918070727 0.539194530597} H4 11 1
1 {} {0.113354567062 0.515723652751 0.727751782626} H5 12 1
1 {} {0.319854003926 0.537062445843 0.86444900459} H6 13 1
1 {} {0.431611949425 0.724901496468 0.326030475812} H7 14 1
1 {} {0.660601967814 0.6805400239 0.25956661224} H8 15 1
1 {} {0.607731812674 0.707846761669 0.493435026312} H10 16 1
8 {} {0.324416983406 0.608768116309 0.61786533042} O 17 1
1 {} {0.259489376696 0.65936180844 0.566241780707} 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