./iterations/neb0_image05_iter283.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 {} {0.470953650205 0.277505820171 0.492656966936} O1 1 1
14 {} {0.325780268343 0.236435077746 0.557308430855} Si1 2 1
14 {} {0.615328586279 0.349127842707 0.475027190769} Si2 3 1
8 {} {0.610020446965 0.503695256871 0.528266027482} O2 4 1
8 {} {0.248259200572 0.365016016255 0.621984838326} O3 5 1
14 {} {0.229861249743 0.526312056553 0.650402526243} Si3 6 1
14 {} {0.580975784618 0.654311613516 0.465228446556} Si4 7 1
1 {} {0.344572554173 0.141091025433 0.66897339826} H1 8 1
1 {} {0.242877072725 0.177837754006 0.44717158185} H2 9 1
1 {} {0.646014240943 0.349774170772 0.32962923472} H3 10 1
1 {} {0.714996939175 0.276775044114 0.558073553955} H4 11 1
1 {} {0.126033156686 0.550647384833 0.751843018966} H5 12 1
1 {} {0.364040912385 0.569744501428 0.702866663266} H6 13 1
1 {} {0.544759092315 0.745664281861 0.576950766276} H7 14 1
1 {} {0.467095974877 0.648613084707 0.369076916692} H8 15 1
1 {} {0.699260718757 0.701346551804 0.390044856497} H10 16 1
8 {} {0.175151388813 0.609786700434 0.517939301926} O 17 1
1 {} {0.20410482925 0.588833969534 0.427614512795} 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