./iterations/neb0_image04_iter157.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 {} {0.464276996606 0.247203404528 0.486240538716} O1 1 1
14 {} {0.325240066358 0.230947332689 0.573068000102} Si1 2 1
14 {} {0.588944974539 0.345148980415 0.443010104211} Si2 3 1
8 {} {0.535457710892 0.496038528092 0.412259424997} O2 4 1
8 {} {0.302755566359 0.354319715358 0.677210140778} O3 5 1
14 {} {0.258374773498 0.509152443121 0.706962873803} Si3 6 1
14 {} {0.553798993293 0.660002488829 0.399448535102} Si4 7 1
1 {} {0.337141937991 0.105311927308 0.652248709491} H1 8 1
1 {} {0.215886708473 0.220057625719 0.472939008465} H2 9 1
1 {} {0.648071802826 0.289426971013 0.319144232839} H3 10 1
1 {} {0.691731818459 0.345962716253 0.550568878933} H4 11 1
1 {} {0.111641108718 0.52025571199 0.732655285701} H5 12 1
1 {} {0.342669730499 0.554158278489 0.81974975724} H6 13 1
1 {} {0.422645437117 0.733946850423 0.415574458873} H7 14 1
1 {} {0.606543979549 0.691378843544 0.261814865661} H8 15 1
1 {} {0.648859522041 0.711315600208 0.505007975363} H10 16 1
8 {} {0.301531037554 0.59192514712 0.571310643641} O 17 1
1 {} {0.254513884627 0.665965292854 0.531844620506} 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