./iterations/neb0_image06_iter263.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 {} {0.472376104015 0.243528713927 0.491388949712} O1 1 1
14 {} {0.326634191192 0.218880875651 0.56206666168} Si1 2 1
14 {} {0.608643008755 0.330271627382 0.467046350358} Si2 3 1
8 {} {0.579755791609 0.486439530951 0.50876590062} O2 4 1
8 {} {0.272957708158 0.354153209761 0.637374914844} O3 5 1
14 {} {0.279628911965 0.517520577388 0.652763067576} Si3 6 1
14 {} {0.491059862264 0.614418515021 0.4543434867} Si4 7 1
1 {} {0.339191066513 0.113059266736 0.666731174254} H1 8 1
1 {} {0.231456523512 0.18128937819 0.453056325136} H2 9 1
1 {} {0.644636139116 0.326654366976 0.323620693644} H3 10 1
1 {} {0.716929859284 0.279418825778 0.555032943233} H4 11 1
1 {} {0.145489486932 0.554458833965 0.709241070486} H5 12 1
1 {} {0.382974964689 0.568635306899 0.74732257881} H6 13 1
1 {} {0.392798268399 0.799714668262 0.515824725229} H7 14 1
1 {} {0.474164550403 0.624820732792 0.306852001781} H8 15 1
1 {} {0.594194581435 0.721947630297 0.483903645112} H10 16 1
8 {} {0.32737281832 0.57829256208 0.506119365591} O 17 1
1 {} {0.329822183347 0.759013438913 0.489604413716} 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