iterations/neb0_image04_iter298.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.470216167976 0.260464217007 0.490996092007} O1 1 1
14 {} {0.327320335406 0.232699812113 0.565753667499} Si1 2 1
14 {} {0.604141388435 0.346203832614 0.451458508392} Si2 3 1
8 {} {0.565329787004 0.504777572496 0.443947164626} O2 4 1
8 {} {0.28120684188 0.354904183813 0.664786428986} O3 5 1
14 {} {0.231821184343 0.508251502666 0.694343919374} Si3 6 1
14 {} {0.590222376652 0.662909897136 0.407613110961} Si4 7 1
1 {} {0.343265624145 0.11255999704 0.652869565806} H1 8 1
1 {} {0.225909165169 0.208468247491 0.457464547224} H2 9 1
1 {} {0.651792753158 0.297779676234 0.319206102282} H3 10 1
1 {} {0.706082498844 0.324034671399 0.557178792318} H4 11 1
1 {} {0.110992459848 0.500041188589 0.782128142458} H5 12 1
1 {} {0.341765167375 0.580957519728 0.764189788788} H6 13 1
1 {} {0.476395654667 0.743623329614 0.4590633712} H7 14 1
1 {} {0.601087083334 0.682053553142 0.259566316082} H8 15 1
1 {} {0.715797944995 0.709180126804 0.472710795948} H10 16 1
8 {} {0.194751007364 0.574752892361 0.547075361251} O 17 1
1 {} {0.171988478004 0.668855498941 0.540706697296} 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