./iterations/neb0_image04_iter3.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 {} {0.469479750691 0.233617726592 0.481014272094} O1 1 1
14 {} {0.330551789605 0.238452959417 0.569143006571} Si1 2 1
14 {} {0.603264240849 0.314532685818 0.43775428679} Si2 3 1
8 {} {0.563542965916 0.465145901991 0.377577924103} O2 4 1
8 {} {0.331307116272 0.365243106166 0.662249174852} O3 5 1
14 {} {0.272863218907 0.514622576086 0.713683079496} Si3 6 1
14 {} {0.519101547803 0.621394129098 0.399847868846} Si4 7 1
1 {} {0.326973033784 0.119065551294 0.656609690376} H1 8 1
1 {} {0.215583829925 0.242103889893 0.475614897733} H2 9 1
1 {} {0.668812807839 0.239947947526 0.328448388347} H3 10 1
1 {} {0.69220967125 0.333000697693 0.554748229917} H4 11 1
1 {} {0.128852655127 0.503588232092 0.715592833552} H5 12 1
1 {} {0.343238334653 0.546295296636 0.834536727216} H6 13 1
1 {} {0.361746804616 0.767176464766 0.361901308456} H7 14 1
1 {} {0.568872980432 0.694780555408 0.286155631002} H8 15 1
1 {} {0.578294810345 0.680315517271 0.517202819947} H10 16 1
8 {} {0.31089445644 0.634218379164 0.59294386901} O 17 1
1 {} {0.324496123209 0.759016341066 0.566033993841} 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