./iterations/neb0_image06_iter258.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 {} {0.473194407543 0.240100471 0.491850546156} O1 1 1
14 {} {0.327099255542 0.217737687543 0.563121461114} Si1 2 1
14 {} {0.607982337164 0.328950313149 0.465806428606} Si2 3 1
8 {} {0.577707376721 0.484969960536 0.501682876755} O2 4 1
8 {} {0.278456896647 0.353937713923 0.640997299613} O3 5 1
14 {} {0.280978797936 0.516450963887 0.652908083644} Si3 6 1
14 {} {0.490780507978 0.614824846467 0.452337024911} Si4 7 1
1 {} {0.33790688383 0.111089891548 0.666375781781} H1 8 1
1 {} {0.229723070098 0.183669718375 0.455292012024} H2 9 1
1 {} {0.646008714668 0.321285269233 0.322195420406} H3 10 1
1 {} {0.715040628129 0.282549169467 0.556117525257} H4 11 1
1 {} {0.14642242621 0.5516941362 0.705821742018} H5 12 1
1 {} {0.382933359079 0.571035687994 0.746002044386} H6 13 1
1 {} {0.390675053217 0.80230015766 0.517645827818} H7 14 1
1 {} {0.474584622618 0.629657702322 0.305986843815} H8 15 1
1 {} {0.594609586659 0.720470669693 0.487115306114} H10 16 1
8 {} {0.329023244776 0.578805653936 0.506117367945} O 17 1
1 {} {0.326958831225 0.762988017896 0.493684645133} 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