iterations/neb0_image09_iter6.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.47197816109 0.215491351568 0.49612950398} O1 1 1
14 {} {0.336187238432 0.216892020146 0.588517310817} Si1 2 1
14 {} {0.604098036317 0.296666560549 0.444744303071} Si2 3 1
8 {} {0.563848263205 0.450366190586 0.397296411781} O2 4 1
8 {} {0.326878913041 0.354407645487 0.675322898404} O3 5 1
14 {} {0.292006250233 0.516697503406 0.673315772589} Si3 6 1
14 {} {0.503421235129 0.595949362765 0.449399691023} Si4 7 1
1 {} {0.34345186986 0.105926976308 0.686097308469} H1 8 1
1 {} {0.21841268191 0.205698081512 0.498663226544} H2 9 1
1 {} {0.658096833468 0.225883940943 0.326177864958} H3 10 1
1 {} {0.703762874547 0.305186680829 0.555048526072} H4 11 1
1 {} {0.143879530245 0.531147535989 0.662390116244} H5 12 1
1 {} {0.345970493316 0.571753403973 0.800417228565} H6 13 1
1 {} {0.320459461208 0.887929997046 0.415753605891} H7 14 1
1 {} {0.495895241165 0.67662431831 0.316950137544} H8 15 1
1 {} {0.607623144725 0.664504790066 0.530855653752} H10 16 1
8 {} {0.368893164135 0.59056593313 0.537468227175} O 17 1
1 {} {0.305222755741 0.860825669408 0.476510211063} 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
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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