./iterations/neb0_image01_iter297.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.460634597935 0.259349804435 0.480820829647} O1 1 1
14 {} {0.327392065223 0.246242558072 0.575389243876} Si1 2 1
14 {} {0.592405852714 0.340046434667 0.427540353487} Si2 3 1
8 {} {0.549860003313 0.480040992225 0.353625481209} O2 4 1
8 {} {0.322605814378 0.365244471386 0.687958700866} O3 5 1
14 {} {0.255179043755 0.509370632603 0.729216575203} Si3 6 1
14 {} {0.540846756471 0.64412881381 0.359141894113} Si4 7 1
1 {} {0.334785221964 0.115979204079 0.645700740979} H1 8 1
1 {} {0.207367118179 0.254811924221 0.488517847988} H2 9 1
1 {} {0.659467404327 0.253429145344 0.327986953857} H3 10 1
1 {} {0.681575815754 0.371045689107 0.542441840012} H4 11 1
1 {} {0.108537927894 0.492162026699 0.739589907105} H5 12 1
1 {} {0.317739635973 0.55191485069 0.856883596862} H6 13 1
1 {} {0.411130998955 0.68866093139 0.301727920766} H7 14 1
1 {} {0.653497744951 0.703871199674 0.281990495067} H8 15 1
1 {} {0.550047375377 0.69137901019 0.501151824428} H10 16 1
8 {} {0.277860322008 0.625810549383 0.61367195812} O 17 1
1 {} {0.359152237842 0.679029308939 0.617701710314} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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