iterations/neb0_image07_iter300.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 {} {0.48238125525 0.202114154539 0.50267872893} O1 1 1
14 {} {0.339812426424 0.211713823451 0.585098029462} Si1 2 1
14 {} {0.608991891581 0.29513297277 0.456594363413} Si2 3 1
8 {} {0.561073251426 0.449739502557 0.440285183751} O2 4 1
8 {} {0.320008877492 0.36280025976 0.644622229015} O3 5 1
14 {} {0.289059310146 0.523653531117 0.650433936839} Si3 6 1
14 {} {0.496332581409 0.59922400632 0.436555221471} Si4 7 1
1 {} {0.342306609877 0.117825175897 0.700159794697} H1 8 1
1 {} {0.231175489797 0.179071756237 0.48883050043} H2 9 1
1 {} {0.658447636423 0.24960942352 0.324335490381} H3 10 1
1 {} {0.713649524207 0.288199301758 0.561621928006} H4 11 1
1 {} {0.141720059811 0.543391126609 0.655451622717} H5 12 1
1 {} {0.351846629512 0.579481653929 0.772993857487} H6 13 1
1 {} {0.345718367083 0.889548001645 0.471439597722} H7 14 1
1 {} {0.470339640183 0.636546165614 0.295469525902} H8 15 1
1 {} {0.595747743412 0.690694888132 0.498333379454} H10 16 1
8 {} {0.353022721153 0.596766576084 0.51791691848} O 17 1
1 {} {0.308451722911 0.857005675689 0.528237455881} 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
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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
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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