iterations/neb0_image05_iter288.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469267648639 0.281292215035 0.493800032048} O1 1 1
14 {} {0.326323663006 0.236311359638 0.558304258575} Si1 2 1
14 {} {0.61710322779 0.349096484509 0.474292587958} Si2 3 1
8 {} {0.612915172497 0.50382042912 0.528047635915} O2 4 1
8 {} {0.246504811708 0.365249738448 0.622088540838} O3 5 1
14 {} {0.23005147653 0.5267216433 0.648438768272} Si3 6 1
14 {} {0.579871525437 0.654284064223 0.466825848362} Si4 7 1
1 {} {0.345454403991 0.140114996593 0.670226373304} H1 8 1
1 {} {0.243903025428 0.178951594786 0.447669578782} H2 9 1
1 {} {0.646724145376 0.349808853112 0.329622669719} H3 10 1
1 {} {0.714120790921 0.274094943337 0.557473936066} H4 11 1
1 {} {0.123286696363 0.555568067401 0.74628402548} H5 12 1
1 {} {0.362277491415 0.565715939085 0.704814636822} H6 13 1
1 {} {0.547979537166 0.747205570558 0.578068874542} H7 14 1
1 {} {0.462920971693 0.646995033716 0.375792312949} H8 15 1
1 {} {0.69542655532 0.701987782372 0.387854020513} H10 16 1
8 {} {0.182837187183 0.612409849795 0.515503839784} O 17 1
1 {} {0.203117749504 0.582889600761 0.425950303573} 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