iterations/neb0_image04_iter124.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 {} {0.466528933923 0.2373510817 0.489285276002} O1 1 1
14 {} {0.327966209737 0.228410447329 0.575993111494} Si1 2 1
14 {} {0.585243317219 0.340569597579 0.440829283972} Si2 3 1
8 {} {0.523105435983 0.48751045997 0.405641559622} O2 4 1
8 {} {0.317999910384 0.355296239003 0.680373883232} O3 5 1
14 {} {0.277335942187 0.512525728557 0.701028816194} Si3 6 1
14 {} {0.530972662402 0.653093933469 0.40180729896} Si4 7 1
1 {} {0.330752774425 0.10321229276 0.655867865283} H1 8 1
1 {} {0.210390076803 0.231050626141 0.484471593186} H2 9 1
1 {} {0.645120221794 0.280407521073 0.318530316171} H3 10 1
1 {} {0.685265681927 0.353348012825 0.551211927799} H4 11 1
1 {} {0.12983760556 0.528960188918 0.698414786136} H5 12 1
1 {} {0.340678934098 0.558457801025 0.82667378998} H6 13 1
1 {} {0.406400944479 0.735372736233 0.395922571093} H7 14 1
1 {} {0.593977357985 0.684456160629 0.269902842048} H8 15 1
1 {} {0.61291393297 0.702204738697 0.51695321421} H10 16 1
8 {} {0.338415096553 0.602910753171 0.576508808341} O 17 1
1 {} {0.28718103761 0.677379608318 0.541641054888} 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