iterations/neb0_image03_iter56.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.46827205681 0.23027883356 0.479739609728} O1 1 1
14 {} {0.33021193616 0.238848296767 0.569043099915} Si1 2 1
14 {} {0.59095001651 0.331389164535 0.434489603749} Si2 3 1
8 {} {0.53135013066 0.475791293893 0.386251658846} O2 4 1
8 {} {0.331152252756 0.372611570216 0.664058465166} O3 5 1
14 {} {0.272749403383 0.51937943464 0.70741676643} Si3 6 1
14 {} {0.52748618774 0.641324074141 0.390056676061} Si4 7 1
1 {} {0.32838554825 0.120496407971 0.659416050101} H1 8 1
1 {} {0.212604477673 0.240242306684 0.476493011485} H2 9 1
1 {} {0.659129546536 0.265065266124 0.319759747967} H3 10 1
1 {} {0.684875388157 0.350655663209 0.549842660069} H4 11 1
1 {} {0.124337372451 0.514995877229 0.720092852445} H5 12 1
1 {} {0.338775837068 0.560559849835 0.834005630102} H6 13 1
1 {} {0.389509431583 0.693880459275 0.37499318177} H7 14 1
1 {} {0.604411010522 0.690741981737 0.27381751453} H8 15 1
1 {} {0.589882274716 0.690515593145 0.516019594691} H10 16 1
8 {} {0.31489092132 0.619069180839 0.584649913261} O 17 1
1 {} {0.311112319826 0.716672707332 0.5909119533} 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