iterations/neb0_image04_iter87.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 {} {0.467015149477 0.232296612155 0.487417560426} O1 1 1
14 {} {0.330140807119 0.229700771607 0.577284192173} Si1 2 1
14 {} {0.583873292289 0.338365746373 0.438934806357} Si2 3 1
8 {} {0.516761823835 0.484210206502 0.403885803205} O2 4 1
8 {} {0.323079365802 0.358797854456 0.679426026298} O3 5 1
14 {} {0.279162066437 0.515039687605 0.700740663521} Si3 6 1
14 {} {0.526681825381 0.649376793434 0.401982254623} Si4 7 1
1 {} {0.32901463692 0.106785339619 0.661090737577} H1 8 1
1 {} {0.213691514094 0.234069027068 0.484797853272} H2 9 1
1 {} {0.648688839044 0.282138061787 0.316871470818} H3 10 1
1 {} {0.681978857377 0.350578945964 0.551278969284} H4 11 1
1 {} {0.131743718562 0.530928976123 0.696108535596} H5 12 1
1 {} {0.339377534892 0.560955502405 0.827644231632} H6 13 1
1 {} {0.399299662903 0.731820238993 0.392499073723} H7 14 1
1 {} {0.591360129515 0.681532235577 0.273730153715} H8 15 1
1 {} {0.605263886825 0.697417303916 0.518332332666} H10 16 1
8 {} {0.343377404198 0.604601874358 0.577389794938} O 17 1
1 {} {0.299575602252 0.683902772428 0.541643523037} 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