iterations/neb0_image05_iter273.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 {} {0.470525544182 0.26956353224 0.491535776698} O1 1 1
14 {} {0.323184890433 0.235467032726 0.557641413365} Si1 2 1
14 {} {0.613588704847 0.348340602508 0.475212133466} Si2 3 1
8 {} {0.605751402013 0.504903842403 0.527446359782} O2 4 1
8 {} {0.248887682089 0.365135283559 0.621705313953} O3 5 1
14 {} {0.235451365066 0.525718549082 0.652487054515} Si3 6 1
14 {} {0.579300649046 0.655712994492 0.463651125619} Si4 7 1
1 {} {0.3424939785 0.139376068975 0.668115645535} H1 8 1
1 {} {0.243418274329 0.178112365627 0.446825928045} H2 9 1
1 {} {0.645993679031 0.34834171313 0.328665024289} H3 10 1
1 {} {0.715599942545 0.278738296186 0.558427663349} H4 11 1
1 {} {0.131143439036 0.544966738337 0.755962479423} H5 12 1
1 {} {0.365739026674 0.576617237484 0.702297052992} H6 13 1
1 {} {0.539862962583 0.749458211853 0.572160342879} H7 14 1
1 {} {0.471809915156 0.648737942981 0.359025352231} H8 15 1
1 {} {0.703985928387 0.702612571314 0.395872912667} H10 16 1
8 {} {0.16868220642 0.602855852787 0.522087075402} O 17 1
1 {} {0.204666466949 0.597859299617 0.431939553263} 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