./iterations/neb0_image02_iter247.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 {} {0.458674461911 0.263588233597 0.4903486968} O1 1 1
14 {} {0.326693805866 0.23957599361 0.584768580119} Si1 2 1
14 {} {0.583772834577 0.348759296953 0.428127072828} Si2 3 1
8 {} {0.531292951586 0.491739131072 0.366300498715} O2 4 1
8 {} {0.312705342445 0.356027723876 0.699893438848} O3 5 1
14 {} {0.244773978337 0.503019605985 0.731586392938} Si3 6 1
14 {} {0.560132699235 0.653573293647 0.356967016948} Si4 7 1
1 {} {0.344070665207 0.109562528317 0.654996726217} H1 8 1
1 {} {0.206120054939 0.239989252444 0.496834195248} H2 9 1
1 {} {0.642415551845 0.26778149973 0.317838561917} H3 10 1
1 {} {0.683014040651 0.37732423292 0.536188717944} H4 11 1
1 {} {0.0979554675339 0.487275707843 0.747420685884} H5 12 1
1 {} {0.311817019589 0.553836265168 0.854512372629} H6 13 1
1 {} {0.435542674247 0.720730240535 0.311101479812} H7 14 1
1 {} {0.671876092507 0.681031080735 0.262302759499} H8 15 1
1 {} {0.598754231863 0.707162144553 0.491502029351} H10 16 1
8 {} {0.260286750891 0.609536903757 0.605562503672} O 17 1
1 {} {0.340187657027 0.662004966256 0.594806224564} 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