iterations/neb0_image06_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_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 {} {0.474751749265 0.225192124273 0.486139785817} O1 1 1
14 {} {0.331644098367 0.217349865746 0.56567677281} Si1 2 1
14 {} {0.607533153813 0.31709172078 0.456487013515} Si2 3 1
8 {} {0.570315231957 0.475285220599 0.460219755276} O2 4 1
8 {} {0.30507680673 0.353768327231 0.653411035456} O3 5 1
14 {} {0.286253674502 0.516747189399 0.654942588388} Si3 6 1
14 {} {0.484881127227 0.613391578448 0.446634356629} Si4 7 1
1 {} {0.336680221156 0.10492325983 0.661703728679} H1 8 1
1 {} {0.224019241956 0.203363837353 0.464698652157} H2 9 1
1 {} {0.657853104796 0.285261035575 0.320108412587} H3 10 1
1 {} {0.71113708073 0.294809046517 0.561848969109} H4 11 1
1 {} {0.145058341364 0.546264676774 0.693645423572} H5 12 1
1 {} {0.378602242051 0.579868915198 0.753032240448} H6 13 1
1 {} {0.390266316374 0.811891342305 0.526502168264} H7 14 1
1 {} {0.469227684618 0.658811116135 0.305900216122} H8 15 1
1 {} {0.582979763969 0.707812722865 0.509485076128} H10 16 1
8 {} {0.330384858647 0.577426970378 0.506898080988} O 17 1
1 {} {0.323421240613 0.783258911346 0.503723795901} 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