./iterations/neb0_image07_iter53.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470433252779 0.217948750951 0.482306830932} O1 1 1
14 {} {0.331854184755 0.224914573939 0.571746410422} Si1 2 1
14 {} {0.598868957873 0.313119977007 0.442697514825} Si2 3 1
8 {} {0.549081684737 0.463865265894 0.401321781997} O2 4 1
8 {} {0.333546089043 0.355233077284 0.673566599874} O3 5 1
14 {} {0.297521467217 0.515656342071 0.680269488911} Si3 6 1
14 {} {0.501116323178 0.610887244476 0.455015091096} Si4 7 1
1 {} {0.328335963566 0.105950227686 0.659835741398} H1 8 1
1 {} {0.214721189755 0.234099402338 0.478994919904} H2 9 1
1 {} {0.663349842004 0.251493824895 0.323980332204} H3 10 1
1 {} {0.693791266773 0.32954143347 0.55726319637} H4 11 1
1 {} {0.14875209944 0.536110057972 0.677066986139} H5 12 1
1 {} {0.352905935527 0.571163689595 0.807952376932} H6 13 1
1 {} {0.345553118828 0.810948347057 0.418073788372} H7 14 1
1 {} {0.486040678642 0.683841455528 0.327250210474} H8 15 1
1 {} {0.600898575264 0.68009602086 0.541458453575} H10 16 1
8 {} {0.365929918643 0.589883486113 0.549980015918} O 17 1
1 {} {0.3273856043 0.777764783477 0.482278231771} 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