iterations/neb0_image05_iter86.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471219501973 0.224632199137 0.488564311485} O1 1 1
14 {} {0.332654216682 0.223757325489 0.57545518349} Si1 2 1
14 {} {0.589358452908 0.332669857443 0.444429744165} Si2 3 1
8 {} {0.530143260053 0.4811207924 0.419840701303} O2 4 1
8 {} {0.326908625791 0.357054557753 0.67540063766} O3 5 1
14 {} {0.288061104888 0.51497252311 0.683238968519} Si3 6 1
14 {} {0.502165605037 0.647209100561 0.428510474207} Si4 7 1
1 {} {0.326241069987 0.101411082504 0.661699193408} H1 8 1
1 {} {0.214948772233 0.232101625588 0.483608822518} H2 9 1
1 {} {0.650889797676 0.279502809379 0.320049016682} H3 10 1
1 {} {0.686581107714 0.333826831144 0.557054857994} H4 11 1
1 {} {0.141952028713 0.540972675402 0.673471676686} H5 12 1
1 {} {0.356066427307 0.573928515805 0.801227787851} H6 13 1
1 {} {0.399389018262 0.771601068436 0.435337842615} H7 14 1
1 {} {0.533046068926 0.674628086082 0.284959970419} H8 15 1
1 {} {0.598137765278 0.695907473987 0.529358239848} H10 16 1
8 {} {0.344510969414 0.595951686929 0.544351111309} O 17 1
1 {} {0.317812307526 0.691269726521 0.524499447493} 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