./iterations/neb0_image04_iter229.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465172800608 0.258869122683 0.488982636412} O1 1 1
14 {} {0.325711731173 0.229268967226 0.569384792687} Si1 2 1
14 {} {0.594551055567 0.348576032648 0.446050721014} Si2 3 1
8 {} {0.551279956018 0.503725629864 0.422781809373} O2 4 1
8 {} {0.289149284265 0.348121273896 0.676922481618} O3 5 1
14 {} {0.246740140685 0.504449189985 0.703474729038} Si3 6 1
14 {} {0.573383130217 0.664721098115 0.400204452232} Si4 7 1
1 {} {0.342556440417 0.103389715955 0.647231507772} H1 8 1
1 {} {0.216891036081 0.215630194955 0.46800904394} H2 9 1
1 {} {0.647020852831 0.291095563796 0.320757409953} H3 10 1
1 {} {0.697540833423 0.344107892109 0.552233087332} H4 11 1
1 {} {0.105309028912 0.514735011564 0.751865562239} H5 12 1
1 {} {0.344541018155 0.55821136319 0.802735737052} H6 13 1
1 {} {0.445229876468 0.734331309455 0.428353044405} H7 14 1
1 {} {0.613969891953 0.691310814612 0.258908157098} H8 15 1
1 {} {0.682648346822 0.714926247943 0.489117548557} H10 16 1
8 {} {0.259514867673 0.582544013398 0.558222418028} O 17 1
1 {} {0.208875699722 0.66450440602 0.545823041145} 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