./iterations/neb0_image07_iter252.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.476909449857 0.217830617489 0.500582946095} O1 1 1
14 {} {0.335833490534 0.21264209766 0.584267307674} Si1 2 1
14 {} {0.614357148922 0.294746786403 0.45499048764} Si2 3 1
8 {} {0.587168890132 0.454656448708 0.428892380438} O2 4 1
8 {} {0.313475529882 0.351788047975 0.668357873151} O3 5 1
14 {} {0.291161324572 0.513444828381 0.64723808719} Si3 6 1
14 {} {0.496350138544 0.59082424247 0.431021372059} Si4 7 1
1 {} {0.342110748289 0.102215415706 0.68324372332} H1 8 1
1 {} {0.225863071093 0.1927801471 0.485676324401} H2 9 1
1 {} {0.660743780261 0.233820506474 0.32753293015} H3 10 1
1 {} {0.717207615451 0.283643231679 0.56233516318} H4 11 1
1 {} {0.146632067071 0.544846579341 0.64574889933} H5 12 1
1 {} {0.364526217267 0.580923289045 0.757266388116} H6 13 1
1 {} {0.338487005824 0.928894432671 0.502078329124} H7 14 1
1 {} {0.47009267499 0.635440693876 0.291499318151} H8 15 1
1 {} {0.568458006919 0.695594524653 0.510540699286} H10 16 1
8 {} {0.350466421716 0.56049736555 0.50068965551} O 17 1
1 {} {0.310242246294 0.877928573195 0.549095825359} 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
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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