./iterations/neb0_image02_iter112.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467766764894 0.238571471581 0.479453043337} O1 1 1
14 {} {0.329518870131 0.242767568176 0.568209241243} Si1 2 1
14 {} {0.593493506237 0.333307816159 0.431974638328} Si2 3 1
8 {} {0.539022177273 0.476598926076 0.374237051029} O2 4 1
8 {} {0.329540323688 0.373680207658 0.667281863132} O3 5 1
14 {} {0.263596154869 0.516033563867 0.716244238119} Si3 6 1
14 {} {0.533652061688 0.641189377521 0.376186645586} Si4 7 1
1 {} {0.326104447903 0.1197684877 0.651917052682} H1 8 1
1 {} {0.213109278632 0.24802645318 0.475373980493} H2 9 1
1 {} {0.662064482731 0.261173521809 0.321851106675} H3 10 1
1 {} {0.684253975494 0.356802858924 0.548231913561} H4 11 1
1 {} {0.118250857369 0.496049166237 0.737759663924} H5 12 1
1 {} {0.33566115832 0.557775299914 0.839821925301} H6 13 1
1 {} {0.394579892535 0.687474088852 0.350872247947} H7 14 1
1 {} {0.623870272454 0.694617502302 0.270438615178} H8 15 1
1 {} {0.578994107088 0.692190836487 0.509483275177} H10 16 1
8 {} {0.276593742949 0.631491885459 0.599416643624} O 17 1
1 {} {0.340014035265 0.704998953909 0.612304866026} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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