./iterations/neb0_image03_iter89.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.467329916459 0.234790080465 0.483539629377} O1 1 1
14 {} {0.329699480796 0.236709519956 0.57330477951} Si1 2 1
14 {} {0.58800501224 0.335268003842 0.433973507712} Si2 3 1
8 {} {0.526250928045 0.479175180108 0.386908635441} O2 4 1
8 {} {0.32582159745 0.36707216515 0.673259016759} O3 5 1
14 {} {0.270975398638 0.516774334338 0.710668935753} Si3 6 1
14 {} {0.533070499852 0.644195478324 0.384406481284} Si4 7 1
1 {} {0.32870016291 0.114396934809 0.658185724906} H1 8 1
1 {} {0.213319563801 0.238980915634 0.480215462068} H2 9 1
1 {} {0.655404537596 0.270718716643 0.318109980299} H3 10 1
1 {} {0.682602010501 0.354119779177 0.547937242515} H4 11 1
1 {} {0.122533044713 0.514032476966 0.722470345148} H5 12 1
1 {} {0.335574386442 0.558264714846 0.837928469603} H6 13 1
1 {} {0.39767133947 0.700909581255 0.362725186993} H7 14 1
1 {} {0.619068414631 0.686767620211 0.269602079459} H8 15 1
1 {} {0.593714452987 0.69534252491 0.511580425609} H10 16 1
8 {} {0.317808655871 0.614394008463 0.586476246933} O 17 1
1 {} {0.302536709947 0.710605920224 0.589765856713} 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