iterations/neb0_image06_iter278.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469021545007 0.252252798521 0.488247066722} O1 1 1
14 {} {0.323568283127 0.224542336383 0.559374754324} Si1 2 1
14 {} {0.60837843345 0.340219889799 0.473089872985} Si2 3 1
8 {} {0.585951160732 0.491412278767 0.533771464408} O2 4 1
8 {} {0.251379252558 0.35349755794 0.63203048857} O3 5 1
14 {} {0.273568797687 0.513978912798 0.658008304212} Si3 6 1
14 {} {0.494677194882 0.611055265884 0.463196570872} Si4 7 1
1 {} {0.341500315536 0.124096345783 0.666612492632} H1 8 1
1 {} {0.238792520277 0.174347702486 0.44856471499} H2 9 1
1 {} {0.638200933544 0.354077603471 0.326370410839} H3 10 1
1 {} {0.717384091867 0.275337015987 0.549461342312} H4 11 1
1 {} {0.145869930931 0.567969398874 0.713935763145} H5 12 1
1 {} {0.380066702508 0.55411613147 0.753591243847} H6 13 1
1 {} {0.403443869262 0.785463489261 0.492172534049} H7 14 1
1 {} {0.473715016482 0.608143876478 0.318818635724} H8 15 1
1 {} {0.596151192155 0.724204118301 0.472867783246} H10 16 1
8 {} {0.329520023708 0.573160377427 0.514140533453} O 17 1
1 {} {0.338896816157 0.74464308754 0.466804381245} 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
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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