./iterations/neb0_image01_iter201.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464055191528 0.256117687895 0.477601326211} O1 1 1
14 {} {0.327336373798 0.251222923011 0.568237113473} Si1 2 1
14 {} {0.59701883797 0.336827432423 0.426628499433} Si2 3 1
8 {} {0.55632845263 0.47685038086 0.351493810858} O2 4 1
8 {} {0.323801220692 0.374732285034 0.675410522232} O3 5 1
14 {} {0.255082532943 0.512926449949 0.73326952888} Si3 6 1
14 {} {0.538940518669 0.64022947701 0.361224269313} Si4 7 1
1 {} {0.328282358324 0.123633049856 0.644156757139} H1 8 1
1 {} {0.210471839693 0.259295464026 0.476372810346} H2 9 1
1 {} {0.665873832458 0.250451830226 0.327901525171} H3 10 1
1 {} {0.683828525599 0.367962508181 0.543492747748} H4 11 1
1 {} {0.10905459072 0.494082000907 0.750798072846} H5 12 1
1 {} {0.324500720792 0.542076303851 0.861349731615} H6 13 1
1 {} {0.402594957373 0.678510225394 0.314943053036} H7 14 1
1 {} {0.641633025822 0.707315739444 0.276931245883} H8 15 1
1 {} {0.555293665727 0.685012973673 0.503623143916} H10 16 1
8 {} {0.268918339588 0.638844127618 0.626902647682} O 17 1
1 {} {0.357070930873 0.676426959528 0.610721081924} 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
12 5 0 0
1 0 0 0
2 0 0 0
16 5 0 0
4 1 0 0
3 2 0 0
17 16 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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