./iterations/neb0_image08_iter82.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471870243072 0.218359734552 0.489242881884} O1 1 1
14 {} {0.333663776328 0.221213677008 0.578169093222} Si1 2 1
14 {} {0.602369477745 0.307518990515 0.444155768421} Si2 3 1
8 {} {0.557487364472 0.459388126509 0.400915567595} O2 4 1
8 {} {0.329816204774 0.353127174156 0.676825765723} O3 5 1
14 {} {0.29875190969 0.514886054775 0.674973872535} Si3 6 1
14 {} {0.504346113074 0.605051570913 0.453791953637} Si4 7 1
1 {} {0.330062619888 0.100178799227 0.663977232031} H1 8 1
1 {} {0.218088156402 0.226012074932 0.484264071828} H2 9 1
1 {} {0.663376461032 0.244606298466 0.324419975988} H3 10 1
1 {} {0.696540837557 0.314827730031 0.559581520112} H4 11 1
1 {} {0.152154535944 0.537864450863 0.665249067902} H5 12 1
1 {} {0.356269313808 0.571870207822 0.799775879252} H6 13 1
1 {} {0.333073747544 0.841634265042 0.416529581258} H7 14 1
1 {} {0.472054843795 0.683930905921 0.332871347064} H8 15 1
1 {} {0.607851272809 0.670481782511 0.538856311635} H10 16 1
8 {} {0.367860072208 0.585339662474 0.543223220209} O 17 1
1 {} {0.314449173723 0.816226474821 0.484234856016} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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