./iterations/neb0_image08_iter52.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.4717412226 0.214774291023 0.487145143426} O1 1 1
14 {} {0.333877344443 0.220934355735 0.577861452623} Si1 2 1
14 {} {0.601359535608 0.306246114556 0.4436374313} Si2 3 1
8 {} {0.555483836122 0.458651033451 0.401110125292} O2 4 1
8 {} {0.332455484026 0.355168791864 0.673909673823} O3 5 1
14 {} {0.297451573432 0.516435143187 0.67417346482} Si3 6 1
14 {} {0.503430371684 0.604756024806 0.453737920095} Si4 7 1
1 {} {0.333229890135 0.103658406661 0.668982083166} H1 8 1
1 {} {0.215969434804 0.223629772456 0.485759362148} H2 9 1
1 {} {0.662258624628 0.241705080818 0.324594155277} H3 10 1
1 {} {0.697726053578 0.319590164849 0.557155518018} H4 11 1
1 {} {0.149739546551 0.537217745319 0.667078473731} H5 12 1
1 {} {0.353395251245 0.573972411567 0.799978749363} H6 13 1
1 {} {0.333217197951 0.834760392931 0.414440009239} H7 14 1
1 {} {0.478033772623 0.681879432671 0.330058543121} H8 15 1
1 {} {0.605199018147 0.67128968384 0.539592729105} H10 16 1
8 {} {0.365416202303 0.588508060511 0.543417099146} O 17 1
1 {} {0.320101766287 0.819341057557 0.488426065947} 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