./iterations/neb0_image09_iter65.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472390463319 0.212431931212 0.494514228357} O1 1 1
14 {} {0.336222977668 0.216185573609 0.586428393788} Si1 2 1
14 {} {0.603037084808 0.298877876816 0.445062581383} Si2 3 1
8 {} {0.559961722792 0.451586903044 0.402240814229} O2 4 1
8 {} {0.329140561083 0.355214863862 0.674589132488} O3 5 1
14 {} {0.296646691028 0.516328236971 0.669212684151} Si3 6 1
14 {} {0.506694974878 0.599082732845 0.451067981945} Si4 7 1
1 {} {0.340226493955 0.102557257052 0.681797887185} H1 8 1
1 {} {0.218191691334 0.208989600547 0.496072403553} H2 9 1
1 {} {0.658721929611 0.23207456844 0.324800229284} H3 10 1
1 {} {0.70194646053 0.306876503499 0.556400684875} H4 11 1
1 {} {0.150241963266 0.538384424141 0.655349151487} H5 12 1
1 {} {0.351282908004 0.576878730947 0.793652812271} H6 13 1
1 {} {0.32370688669 0.878055689199 0.41283249363} H7 14 1
1 {} {0.476045926055 0.678057514629 0.32951175897} H8 15 1
1 {} {0.610592632136 0.663703026192 0.536159530482} H10 16 1
8 {} {0.36782690476 0.585254446425 0.538846816607} O 17 1
1 {} {0.30720789524 0.851978063187 0.482518398333} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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