./iterations/neb0_image06_iter155.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.472878760537 0.232071957011 0.482809621382} O1 1 1
14 {} {0.331798055766 0.222401873349 0.568678674648} Si1 2 1
14 {} {0.609062684782 0.316141547156 0.450928185508} Si2 3 1
8 {} {0.57045111302 0.473599626018 0.44120690251} O2 4 1
8 {} {0.305201932752 0.354882003096 0.66290461087} O3 5 1
14 {} {0.282550284017 0.516820925049 0.659290216163} Si3 6 1
14 {} {0.485154114157 0.611191331174 0.4464457459} Si4 7 1
1 {} {0.33548181822 0.105980448782 0.661885382382} H1 8 1
1 {} {0.224626300696 0.210933655964 0.465791475948} H2 9 1
1 {} {0.662905286093 0.280224128614 0.316684379449} H3 10 1
1 {} {0.706734423745 0.301132249943 0.563230902961} H4 11 1
1 {} {0.139915082902 0.538995199141 0.699671260961} H5 12 1
1 {} {0.372308060296 0.585957642476 0.754034271939} H6 13 1
1 {} {0.395724835075 0.816373561445 0.510052931063} H7 14 1
1 {} {0.47199812548 0.65813066773 0.305433755709} H8 15 1
1 {} {0.580586767109 0.699850277162 0.520834134448} H10 16 1
8 {} {0.332003618248 0.571938344392 0.510609089803} O 17 1
1 {} {0.330704687964 0.775892393651 0.510566473417} 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