./iterations/neb0_image05_iter194.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.472991088149 0.24020027517 0.487591963404} O1 1 1
14 {} {0.327051068047 0.226466738373 0.563542456265} Si1 2 1
14 {} {0.600646181698 0.342448915952 0.466018665187} Si2 3 1
8 {} {0.552453246489 0.497047042466 0.492458775479} O2 4 1
8 {} {0.285896786956 0.363146603485 0.642691233277} O3 5 1
14 {} {0.248486984993 0.521507146682 0.665028468826} Si3 6 1
14 {} {0.558676297046 0.652484947865 0.440307340537} Si4 7 1
1 {} {0.339060080778 0.115461118772 0.662513607953} H1 8 1
1 {} {0.224719369457 0.197042319511 0.459927279869} H2 9 1
1 {} {0.645356280358 0.33236628152 0.324233225208} H3 10 1
1 {} {0.708778121633 0.311189382162 0.564373862127} H4 11 1
1 {} {0.133874963276 0.522104499403 0.758931147544} H5 12 1
1 {} {0.369048713928 0.595709624505 0.714960388879} H6 13 1
1 {} {0.46684051205 0.728612026729 0.530539699578} H7 14 1
1 {} {0.514439606649 0.667332905521 0.297570309527} H8 15 1
1 {} {0.698849604813 0.705023914888 0.449347087816} H10 16 1
8 {} {0.200126553101 0.593775758138 0.522685796384} O 17 1
1 {} {0.262790554615 0.66059846589 0.488336844353} 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