./iterations/neb0_image01_iter26.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 {} {0.467983570921 0.242236058072 0.471737331617} O1 1 1
14 {} {0.328422820844 0.249832283908 0.557882768883} Si1 2 1
14 {} {0.600131339818 0.331045711302 0.431164705436} Si2 3 1
8 {} {0.554148982242 0.475809488046 0.367618415311} O2 4 1
8 {} {0.333017882573 0.378977389662 0.658807698544} O3 5 1
14 {} {0.26742693265 0.515269170268 0.725436760438} Si3 6 1
14 {} {0.528835504358 0.639217823028 0.372275795338} Si4 7 1
1 {} {0.31768288689 0.125122794893 0.639144852099} H1 8 1
1 {} {0.213882876012 0.261771285533 0.462710724282} H2 9 1
1 {} {0.673600009609 0.250843709516 0.329845346185} H3 10 1
1 {} {0.684580453411 0.350322640168 0.55291696465} H4 11 1
1 {} {0.122744192641 0.490880665199 0.74592971398} H5 12 1
1 {} {0.341521235421 0.53491113045 0.853543827186} H6 13 1
1 {} {0.38819103117 0.678443859183 0.341870352877} H7 14 1
1 {} {0.614864204497 0.704822010635 0.269961805208} H8 15 1
1 {} {0.560132760947 0.688446085316 0.510114226921} H10 16 1
8 {} {0.27107393597 0.645705221442 0.623315137961} O 17 1
1 {} {0.341845515129 0.708860622816 0.616781562756} 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