./iterations/neb0_image07_iter284.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.481364929562 0.202903707025 0.502832397014} O1 1 1
14 {} {0.340024857631 0.210036288052 0.586515203314} Si1 2 1
14 {} {0.610719673247 0.292432544578 0.455358480861} Si2 3 1
8 {} {0.569815991464 0.449511103626 0.43393132685} O2 4 1
8 {} {0.317719979434 0.357759196731 0.653902774708} O3 5 1
14 {} {0.288855955058 0.519396553287 0.647711443852} Si3 6 1
14 {} {0.496161436263 0.595904451298 0.432867407617} Si4 7 1
1 {} {0.341080192152 0.112372779644 0.697755477405} H1 8 1
1 {} {0.232298998703 0.182770701493 0.488255515526} H2 9 1
1 {} {0.661584086381 0.243049121985 0.32511715304} H3 10 1
1 {} {0.713297153 0.283556564004 0.562278356733} H4 11 1
1 {} {0.142203573714 0.541002126193 0.652182192776} H5 12 1
1 {} {0.356369908882 0.584280009508 0.762505807973} H6 13 1
1 {} {0.339937268704 0.911109123308 0.485239522944} H7 14 1
1 {} {0.470800313042 0.63677377456 0.292211679399} H8 15 1
1 {} {0.588473387886 0.691460813926 0.499938196851} H10 16 1
8 {} {0.351121236815 0.585681215942 0.510821879057} O 17 1
1 {} {0.30825681368 0.87251782962 0.54163289034} 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