iterations/neb0_image06_iter101.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469875113596 0.223839584912 0.491313474115} O1 1 1
14 {} {0.330711489809 0.222792257091 0.577536803667} Si1 2 1
14 {} {0.596391353543 0.320782229266 0.446967963452} Si2 3 1
8 {} {0.55072412776 0.472312566003 0.409138708632} O2 4 1
8 {} {0.324635184613 0.352998086519 0.678866350732} O3 5 1
14 {} {0.294889051847 0.514658730939 0.674581404825} Si3 6 1
14 {} {0.495749440189 0.621675294526 0.445937807723} Si4 7 1
1 {} {0.327280194029 0.0991617278171 0.660122045079} H1 8 1
1 {} {0.214815231587 0.229598041229 0.484120741069} H2 9 1
1 {} {0.653330457053 0.267258069001 0.321424506305} H3 10 1
1 {} {0.693415207805 0.32596499103 0.559886421917} H4 11 1
1 {} {0.147750432467 0.540265137667 0.668781706819} H5 12 1
1 {} {0.35739440269 0.573833067149 0.796290334454} H6 13 1
1 {} {0.369326497682 0.798284298282 0.444800501827} H7 14 1
1 {} {0.500760240401 0.678736361955 0.307482322923} H8 15 1
1 {} {0.593356932437 0.696366521698 0.531358125669} H10 16 1
8 {} {0.360114351093 0.582788866059 0.539851274463} O 17 1
1 {} {0.329566389206 0.751202138024 0.492597510162} 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