iterations/neb0_image09_iter7.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471717817936 0.215441697747 0.496178560177} O1 1 1
14 {} {0.336301002761 0.216355689914 0.588063359465} Si1 2 1
14 {} {0.604121282768 0.297094743747 0.444555198283} Si2 3 1
8 {} {0.563615470771 0.450226914879 0.397475125369} O2 4 1
8 {} {0.326802440872 0.355319734324 0.675697587855} O3 5 1
14 {} {0.292806979568 0.516753977729 0.672205041654} Si3 6 1
14 {} {0.503150715828 0.59631460622 0.449447329172} Si4 7 1
1 {} {0.343391355379 0.105888702597 0.685981357556} H1 8 1
1 {} {0.218361476216 0.205844772046 0.498515612414} H2 9 1
1 {} {0.658167589767 0.225937519083 0.326147807353} H3 10 1
1 {} {0.703760406249 0.305309361047 0.555095378236} H4 11 1
1 {} {0.143727032345 0.531186956685 0.662561899573} H5 12 1
1 {} {0.345983182289 0.571777586029 0.800663967681} H6 13 1
1 {} {0.320569556491 0.887367725745 0.415710697425} H7 14 1
1 {} {0.495689136323 0.676426527073 0.317285308006} H8 15 1
1 {} {0.607717423273 0.664596300495 0.531034888397} H10 16 1
8 {} {0.36884285725 0.590139061359 0.537759215684} O 17 1
1 {} {0.305360422313 0.860536084247 0.476679665623} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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