./iterations/neb0_image04_iter205.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 {} {0.465324834009 0.255649092752 0.487938628646} O1 1 1
14 {} {0.325536856244 0.229339297987 0.569940647074} Si1 2 1
14 {} {0.593322318241 0.348269550909 0.444572811331} Si2 3 1
8 {} {0.548123574987 0.50249174485 0.419147175574} O2 4 1
8 {} {0.291082461884 0.349282813846 0.676247977457} O3 5 1
14 {} {0.249691082978 0.505883224197 0.704438366334} Si3 6 1
14 {} {0.568812650129 0.664186139841 0.399564578636} Si4 7 1
1 {} {0.341706275308 0.104284509861 0.649148479742} H1 8 1
1 {} {0.216502564169 0.217139055549 0.469267602201} H2 9 1
1 {} {0.647767857545 0.290843372568 0.318527088486} H3 10 1
1 {} {0.695821077958 0.344642099448 0.553126354339} H4 11 1
1 {} {0.106567779832 0.51584026938 0.748914397834} H5 12 1
1 {} {0.342885803725 0.557060274436 0.808986231058} H6 13 1
1 {} {0.439531209154 0.732177954092 0.424340402233} H7 14 1
1 {} {0.611640335828 0.691449029767 0.259892817678} H8 15 1
1 {} {0.673857125976 0.713190096085 0.493884608379} H10 16 1
8 {} {0.271953429239 0.585770223329 0.560871961252} O 17 1
1 {} {0.219958776832 0.665019113495 0.542248014012} 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