iterations/neb0_image03_iter5.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468791075137 0.236518974619 0.47839833517} O1 1 1
14 {} {0.329722042434 0.241020059172 0.564731088852} Si1 2 1
14 {} {0.602932795561 0.318259392632 0.436325088053} Si2 3 1
8 {} {0.562321628337 0.467879832265 0.374205142329} O2 4 1
8 {} {0.332238166255 0.368579458949 0.660736175128} O3 5 1
14 {} {0.271291188478 0.516369492919 0.718505166094} Si3 6 1
14 {} {0.515914310219 0.629484977608 0.390250388453} Si4 7 1
1 {} {0.324033720052 0.121111551068 0.65139798686} H1 8 1
1 {} {0.214929964958 0.248514178389 0.47138658086} H2 9 1
1 {} {0.670792619348 0.242372544821 0.328713152686} H3 10 1
1 {} {0.690288641219 0.337987110388 0.554844195986} H4 11 1
1 {} {0.125522033174 0.498744100517 0.725121957433} H5 12 1
1 {} {0.343019145572 0.541946837292 0.841487213947} H6 13 1
1 {} {0.372184045576 0.739837972844 0.355054617317} H7 14 1
1 {} {0.583917346797 0.698386630252 0.279644843836} H8 15 1
1 {} {0.573417702122 0.683074683296 0.516068470895} H10 16 1
8 {} {0.304491505504 0.648955407055 0.599788018106} O 17 1
1 {} {0.32427820813 0.733474762027 0.584399576353} 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