./iterations/neb0_image02_iter214.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.461018894207 0.258750013523 0.491098570308} O1 1 1
14 {} {0.32762583156 0.239402876986 0.584327316426} Si1 2 1
14 {} {0.583946996151 0.346796815742 0.429242701914} Si2 3 1
8 {} {0.529096009266 0.489098962937 0.368091088217} O2 4 1
8 {} {0.315490917303 0.358673343812 0.696776042701} O3 5 1
14 {} {0.247525298003 0.505207033754 0.728760865049} Si3 6 1
14 {} {0.557095132771 0.651158724064 0.359056003315} Si4 7 1
1 {} {0.341419851969 0.109842302017 0.655990580219} H1 8 1
1 {} {0.208271899722 0.241037409284 0.495243766431} H2 9 1
1 {} {0.643403526175 0.268312462557 0.318498132552} H3 10 1
1 {} {0.68335107829 0.376526298232 0.5360834118} H4 11 1
1 {} {0.10073220255 0.48945104409 0.744624498981} H5 12 1
1 {} {0.314133952651 0.554647570765 0.852307239891} H6 13 1
1 {} {0.431443591063 0.716842525523 0.314455116602} H7 14 1
1 {} {0.667098098278 0.680968730813 0.262420476965} H8 15 1
1 {} {0.593689281382 0.704992560088 0.494351929835} H10 16 1
8 {} {0.264324501815 0.61055517617 0.602847642586} O 17 1
1 {} {0.340419122646 0.670254157371 0.596882673577} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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