iterations/neb0_image04_iter85.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 {} {0.467055520126 0.23226504065 0.487266710905} O1 1 1
14 {} {0.330232176167 0.229768512016 0.577229379691} Si1 2 1
14 {} {0.583965886035 0.338168284668 0.438805062211} Si2 3 1
8 {} {0.516885808349 0.484204665148 0.403967086692} O2 4 1
8 {} {0.323076016305 0.358987657465 0.679255251493} O3 5 1
14 {} {0.279172823123 0.515113618847 0.700818867868} Si3 6 1
14 {} {0.526390511911 0.649138491818 0.402085960683} Si4 7 1
1 {} {0.328975516374 0.107047045507 0.661307139637} H1 8 1
1 {} {0.213774032194 0.234129335738 0.484747870618} H2 9 1
1 {} {0.648916367161 0.281925294727 0.3168161126} H3 10 1
1 {} {0.681866888485 0.350539463981 0.551226211825} H4 11 1
1 {} {0.131842394982 0.530762869777 0.696379181455} H5 12 1
1 {} {0.339185949985 0.56094336298 0.8276676768} H6 13 1
1 {} {0.398999286964 0.731723470025 0.392408183956} H7 14 1
1 {} {0.591199446319 0.681567798871 0.273902375688} H8 15 1
1 {} {0.605302577415 0.697175283272 0.518328162407} H10 16 1
8 {} {0.343420536329 0.604617676991 0.57730777541} O 17 1
1 {} {0.299824380279 0.684440078203 0.54153897326} 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