./iterations/neb0_image06_iter83.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 {} {0.469508837164 0.223565729465 0.489030021785} O1 1 1
14 {} {0.331039466763 0.224549203206 0.577991426405} Si1 2 1
14 {} {0.594237390619 0.319832649896 0.444149220087} Si2 3 1
8 {} {0.543533122135 0.46969227474 0.408700087023} O2 4 1
8 {} {0.325756672895 0.353831906491 0.679230573672} O3 5 1
14 {} {0.295380763577 0.515638096575 0.67906151379} Si3 6 1
14 {} {0.498801317875 0.6208061599 0.448032140994} Si4 7 1
1 {} {0.327149286951 0.102977882111 0.662841754658} H1 8 1
1 {} {0.216101616517 0.231264938099 0.484160027147} H2 9 1
1 {} {0.655076053584 0.269589116952 0.31896048068} H3 10 1
1 {} {0.688624335669 0.33181034815 0.557616382676} H4 11 1
1 {} {0.148018402127 0.540008830741 0.672638548515} H5 12 1
1 {} {0.351661793185 0.570149883474 0.806039997845} H6 13 1
1 {} {0.367577405557 0.790243070602 0.429735249315} H7 14 1
1 {} {0.505491710441 0.679629732442 0.309370415873} H8 15 1
1 {} {0.597520910839 0.694078529701 0.533002995231} H10 16 1
8 {} {0.365129727889 0.586167334319 0.54684175562} O 17 1
1 {} {0.329477292351 0.748682284489 0.483655398248} 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