./iterations/neb0_image05_iter293.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.468563627105 0.282111414879 0.493714081128} O1 1 1
14 {} {0.325633422958 0.236746269515 0.558740536063} Si1 2 1
14 {} {0.617278436358 0.349021313465 0.474791599869} Si2 3 1
8 {} {0.613187218514 0.505015275012 0.52846333303} O2 4 1
8 {} {0.245962874386 0.366478418759 0.61973145644} O3 5 1
14 {} {0.227648493941 0.527068962969 0.649147459713} Si3 6 1
14 {} {0.578518101668 0.654138421697 0.466499499403} Si4 7 1
1 {} {0.346715277926 0.138854122823 0.669208465198} H1 8 1
1 {} {0.243336888663 0.178273696679 0.449025251648} H2 9 1
1 {} {0.648205896647 0.347906016232 0.329626164531} H3 10 1
1 {} {0.715539533336 0.2740666412 0.556803676949} H4 11 1
1 {} {0.120616811651 0.553882626055 0.749958587069} H5 12 1
1 {} {0.361189059892 0.566782345877 0.699584350208} H6 13 1
1 {} {0.548828622429 0.747162038451 0.579593472724} H7 14 1
1 {} {0.461596252151 0.646581472207 0.375248443132} H8 15 1
1 {} {0.698687155286 0.702973700301 0.388119075253} H10 16 1
8 {} {0.182554004269 0.613775227513 0.515599753229} O 17 1
1 {} {0.206024395517 0.581680199975 0.427203052603} 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