./iterations/neb0_image04_iter114.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.466757507361 0.235888680353 0.490540438271} O1 1 1
14 {} {0.327851434647 0.228177694573 0.576882703138} Si1 2 1
14 {} {0.584030613042 0.340944569338 0.441507320836} Si2 3 1
8 {} {0.520482740642 0.487887290439 0.404225535846} O2 4 1
8 {} {0.319550440348 0.355568095601 0.681134832069} O3 5 1
14 {} {0.278534700112 0.512583594544 0.700574532961} Si3 6 1
14 {} {0.531663386412 0.652694010672 0.400717494904} Si4 7 1
1 {} {0.33053618462 0.102066788461 0.655196083004} H1 8 1
1 {} {0.210545217195 0.231647171258 0.485639334369} H2 9 1
1 {} {0.644006449774 0.282344228662 0.318996108647} H3 10 1
1 {} {0.684702166403 0.352852230929 0.551322508967} H4 11 1
1 {} {0.130607925931 0.530881859022 0.694380528128} H5 12 1
1 {} {0.341672180573 0.55927959899 0.826668433812} H6 13 1
1 {} {0.40667527206 0.735501681062 0.39570268388} H7 14 1
1 {} {0.593969780665 0.683169305942 0.269871086924} H8 15 1
1 {} {0.608502857216 0.702179445067 0.51743404939} H10 16 1
8 {} {0.34072356594 0.602682871606 0.577519870264} O 17 1
1 {} {0.289273660101 0.676168815292 0.542744449382} 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