./iterations/neb0_image04_iter175.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 {} {0.466287017161 0.250571831585 0.487950602777} O1 1 1
14 {} {0.325795414606 0.230330024139 0.571162431932} Si1 2 1
14 {} {0.591825447107 0.346633667488 0.44264483807} Si2 3 1
8 {} {0.540971927294 0.49842757129 0.413208602318} O2 4 1
8 {} {0.296784819121 0.351237391178 0.677236881786} O3 5 1
14 {} {0.256116920835 0.507581987027 0.706221806875} Si3 6 1
14 {} {0.558279758724 0.661195321977 0.398506679272} Si4 7 1
1 {} {0.3389111782 0.105853508 0.651670193975} H1 8 1
1 {} {0.215080189898 0.219318834215 0.471356502378} H2 9 1
1 {} {0.648277097575 0.291101504457 0.316804485955} H3 10 1
1 {} {0.69154336104 0.344225208415 0.553263634122} H4 11 1
1 {} {0.110689106564 0.517667585221 0.740405236357} H5 12 1
1 {} {0.341482200912 0.554890503546 0.81890243637} H6 13 1
1 {} {0.431042154741 0.732696662567 0.418169945245} H7 14 1
1 {} {0.608411332436 0.691430139344 0.261634113917} H8 15 1
1 {} {0.654210224714 0.711134109088 0.500350254399} H10 16 1
8 {} {0.291655034901 0.590965504134 0.567874700427} O 17 1
1 {} {0.24272285933 0.667256500506 0.533694729344} 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