./iterations/neb0_image01_iter189.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464637397653 0.255036272182 0.477173323359} O1 1 1
14 {} {0.327258628886 0.25113604046 0.566941232338} Si1 2 1
14 {} {0.597709127391 0.336250010072 0.426868126841} Si2 3 1
8 {} {0.556575610382 0.476794333961 0.352315923386} O2 4 1
8 {} {0.324902027442 0.376285520317 0.673453187046} O3 5 1
14 {} {0.25580801624 0.51308678402 0.733007689179} Si3 6 1
14 {} {0.537874319687 0.640109644434 0.362096575686} Si4 7 1
1 {} {0.327211745699 0.124167637141 0.644207379123} H1 8 1
1 {} {0.210345533726 0.259421970015 0.474864256332} H2 9 1
1 {} {0.666609304087 0.250121331068 0.327434517115} H3 10 1
1 {} {0.684139953177 0.367266642624 0.544505867077} H4 11 1
1 {} {0.109412948604 0.49419774204 0.751027736869} H5 12 1
1 {} {0.326014713313 0.54108636753 0.861412957332} H6 13 1
1 {} {0.400906268183 0.677708631721 0.317682797341} H7 14 1
1 {} {0.639584928678 0.707300510128 0.276380266261} H8 15 1
1 {} {0.55661521524 0.685066711868 0.504260366963} H10 16 1
8 {} {0.268306415849 0.639997637762 0.627923819564} O 17 1
1 {} {0.356173767644 0.67748405126 0.609501874246} 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
12 5 0 0
1 0 0 0
2 0 0 0
16 5 0 0
4 1 0 0
3 2 0 0
17 16 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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