iterations/neb0_image06_iter188.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 {} {0.475967629834 0.223911190018 0.486654275345} O1 1 1
14 {} {0.332069164223 0.218552212252 0.565335130741} Si1 2 1
14 {} {0.607265687611 0.317255681381 0.455678849552} Si2 3 1
8 {} {0.569932879872 0.475043626702 0.457183434031} O2 4 1
8 {} {0.305498321882 0.353804919003 0.654392932972} O3 5 1
14 {} {0.286567635571 0.516847220325 0.655858512999} Si3 6 1
14 {} {0.48454476587 0.612684604252 0.446004205235} Si4 7 1
1 {} {0.337777564945 0.10568959902 0.661198714252} H1 8 1
1 {} {0.223717095509 0.203813343712 0.464364260364} H2 9 1
1 {} {0.659308888392 0.284263487082 0.321105423518} H3 10 1
1 {} {0.709265462243 0.294093863654 0.560275181976} H4 11 1
1 {} {0.145533713065 0.546427967008 0.693552073849} H5 12 1
1 {} {0.377655081909 0.580903706106 0.754839523502} H6 13 1
1 {} {0.390985889579 0.814111817912 0.525088727871} H7 14 1
1 {} {0.469177041562 0.658332268285 0.305908094412} H8 15 1
1 {} {0.581573203381 0.706290273168 0.511923082098} H10 16 1
8 {} {0.329357534239 0.576815072682 0.507350917512} O 17 1
1 {} {0.323888375835 0.783676991137 0.504344731859} 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