./iterations/neb0_image02_iter164.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.464180847454 0.251408215479 0.489187741418} O1 1 1
14 {} {0.328574048551 0.239658209361 0.580796724342} Si1 2 1
14 {} {0.586502019733 0.342594452829 0.43028417498} Si2 3 1
8 {} {0.529287742691 0.484405014276 0.370589569707} O2 4 1
8 {} {0.319467040621 0.362677090293 0.688733596645} O3 5 1
14 {} {0.25269876238 0.508791423617 0.724966360416} Si3 6 1
14 {} {0.549175120716 0.647781536015 0.363573987795} Si4 7 1
1 {} {0.336173230683 0.111749999439 0.655981580096} H1 8 1
1 {} {0.210839733538 0.24273127066 0.490250828677} H2 9 1
1 {} {0.649022252144 0.266399625986 0.319504362166} H3 10 1
1 {} {0.684563116035 0.371640243538 0.538775997494} H4 11 1
1 {} {0.106508506557 0.49178600741 0.741177787312} H5 12 1
1 {} {0.319875032024 0.557147049753 0.848860964552} H6 13 1
1 {} {0.420211617354 0.710597023465 0.323008030416} H7 14 1
1 {} {0.656067339553 0.682554923177 0.265599458936} H8 15 1
1 {} {0.588599430272 0.701344898526 0.49767941289} H10 16 1
8 {} {0.268029618058 0.617878952841 0.601129602644} O 17 1
1 {} {0.340310627617 0.681371994676 0.600957965841} 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