./iterations/neb0_image07_iter58.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470467649565 0.217916480314 0.482831898696} O1 1 1
14 {} {0.332170827455 0.225038621782 0.57254588974} Si1 2 1
14 {} {0.599114362826 0.313515360463 0.442675265417} Si2 3 1
8 {} {0.549617670924 0.463714111963 0.402106352094} O2 4 1
8 {} {0.33286699613 0.355359753936 0.674062924337} O3 5 1
14 {} {0.297745358357 0.516149141616 0.680171604053} Si3 6 1
14 {} {0.500794652109 0.610615972847 0.455976051271} Si4 7 1
1 {} {0.327882720573 0.10474826267 0.659827187518} H1 8 1
1 {} {0.214878911157 0.233946862378 0.479139472031} H2 9 1
1 {} {0.663084432185 0.252459626041 0.32351634424} H3 10 1
1 {} {0.693339771968 0.328790750959 0.557757485601} H4 11 1
1 {} {0.149884764454 0.536818555933 0.675256615165} H5 12 1
1 {} {0.353665407761 0.571246093641 0.807027019417} H6 13 1
1 {} {0.346753561129 0.812679040599 0.417729166416} H7 14 1
1 {} {0.484575409991 0.684186143077 0.327890548867} H8 15 1
1 {} {0.601076966231 0.679576245442 0.540758831859} H10 16 1
8 {} {0.366972701269 0.589168639463 0.550202765693} O 17 1
1 {} {0.325193985742 0.776588299424 0.481582542883} 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