iterations/neb0_image06_iter209.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 {} {0.47521167051 0.226180619653 0.485391557181} O1 1 1
14 {} {0.331408740441 0.21667854731 0.565395691015} Si1 2 1
14 {} {0.609378867324 0.318050111636 0.458642476809} Si2 3 1
8 {} {0.572792294708 0.476371855784 0.471987223773} O2 4 1
8 {} {0.299652930035 0.35297905253 0.651738845181} O3 5 1
14 {} {0.285323094083 0.516112752047 0.65293308462} Si3 6 1
14 {} {0.487117204378 0.613066615199 0.447899742452} Si4 7 1
1 {} {0.335285672056 0.103789254905 0.664298215808} H1 8 1
1 {} {0.224324253047 0.197924701224 0.462437636811} H2 9 1
1 {} {0.653985769822 0.293772697658 0.319223625099} H3 10 1
1 {} {0.712869578287 0.293310613913 0.562533308391} H4 11 1
1 {} {0.145021496951 0.547409920894 0.695105397939} H5 12 1
1 {} {0.382047123298 0.577720058521 0.746353713617} H6 13 1
1 {} {0.389560572053 0.811014820552 0.529584560184} H7 14 1
1 {} {0.468256064331 0.65438790296 0.305878188723} H8 15 1
1 {} {0.586828692814 0.712829152228 0.502654392783} H10 16 1
8 {} {0.329536522728 0.576372161612 0.505203705275} O 17 1
1 {} {0.321485382059 0.784547052411 0.503796739623} 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