./iterations/neb0_image04_iter154.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 {} {0.464126477415 0.246678823543 0.485730284852} O1 1 1
14 {} {0.325685003094 0.230545130241 0.573536846383} Si1 2 1
14 {} {0.588076709723 0.344513417699 0.442647931673} Si2 3 1
8 {} {0.533754371521 0.495782843466 0.412696836076} O2 4 1
8 {} {0.304197030388 0.35346512933 0.677698017042} O3 5 1
14 {} {0.260090306527 0.509243577947 0.706287288443} Si3 6 1
14 {} {0.551433673924 0.660145073903 0.400240822412} Si4 7 1
1 {} {0.336240727173 0.105382520412 0.653031579751} H1 8 1
1 {} {0.21521710194 0.221011005245 0.473926851937} H2 9 1
1 {} {0.64764282686 0.28867788227 0.31904329264} H3 10 1
1 {} {0.691084429845 0.348021315749 0.549981879072} H4 11 1
1 {} {0.112805351298 0.521397772621 0.729635069269} H5 12 1
1 {} {0.342313408166 0.55457938894 0.820655069027} H6 13 1
1 {} {0.42072908873 0.733258050639 0.413072499137} H7 14 1
1 {} {0.605544168068 0.690635734165 0.263373269169} H8 15 1
1 {} {0.64754877842 0.710872841137 0.505921308651} H10 16 1
8 {} {0.30596357555 0.592422298484 0.571681373251} O 17 1
1 {} {0.257633025301 0.66588505665 0.531897828879} 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