./iterations/neb0_image07_iter56.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470376909796 0.217814262148 0.482714779236} O1 1 1
14 {} {0.332134778582 0.224986393481 0.572321459312} Si1 2 1
14 {} {0.599107380638 0.313558231 0.442635701216} Si2 3 1
8 {} {0.54953684062 0.463650339329 0.401961758132} O2 4 1
8 {} {0.333020388734 0.355383234497 0.674016455876} O3 5 1
14 {} {0.297783943065 0.516085404373 0.680059557577} Si3 6 1
14 {} {0.500798547428 0.610794906688 0.455782788295} Si4 7 1
1 {} {0.327960005397 0.104954213314 0.659814489595} H1 8 1
1 {} {0.21479515192 0.234015663802 0.479042865156} H2 9 1
1 {} {0.663147995857 0.25229756609 0.323585585975} H3 10 1
1 {} {0.693440011062 0.328997425531 0.557685328494} H4 11 1
1 {} {0.149637405181 0.536714580232 0.675595674726} H5 12 1
1 {} {0.353567864916 0.571280064137 0.80723000571} H6 13 1
1 {} {0.346532235714 0.812285534132 0.417829762514} H7 14 1
1 {} {0.484788132012 0.684098459176 0.327883322269} H8 15 1
1 {} {0.601029761117 0.679680901531 0.54093801064} H10 16 1
8 {} {0.366732488054 0.589241242501 0.55028073011} O 17 1
1 {} {0.325696310261 0.776679539884 0.481679691331} 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