#MD System 2.0

@Title Si (1 1 0)  surface_2x1x2

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	Spin	double	0.0
	WyckoffPosition	int	-1
@end
@data
14 {} {0.847547218881 0.306468194129 0.0636001290635} Si1 1 0.0 1
14 {} {0.847794251059 0.384974626734 0.444705972711} Si2 2 0.0 1
14 {} {0.0973430805095 0.306543970923 0.193365701583} Si3 3 0.0 1
14 {} {0.0977966080095 0.382793973053 0.31817659916} Si4 4 0.0 1
14 {} {0.852731355042 0.540382324821 0.434111534713} Si5 5 0.0 1
14 {} {0.103399121387 0.537003866855 0.309102905587} Si6 6 0.0 1
14 {} {0.849496762958 0.457678032605 0.0649975485173} Si7 7 0.0 1
14 {} {0.843850571621 0.228644120205 0.44194636227} Si8 8 0.0 1
14 {} {0.0989792264844 0.458035397651 0.193236099367} Si9 9 0.0 1
14 {} {0.0939428537279 0.228047212218 0.314374203752} Si10 10 0.0 1
8 {} {0.366408198668 0.593295266394 0.516986191579} O1 11 0.0 1
14 {} {0.351597528825 0.657313476494 0.518753877783} Si11 12 0.0 1
8 {} {0.111431144835 0.589471992663 0.213410842321} O2 13 0.0 1
1 {} {0.011590897893 0.592915443676 0.153163310653} H1 14 0.0 1
8 {} {0.333018400538 0.177544258928 0.541818245094} O3 15 0.0 1
1 {} {0.932396970819 0.174400504433 0.602216802145} H2 16 0.0 1
8 {} {0.0829507652858 0.176426979345 0.216086182443} O4 17 0.0 1
1 {} {0.181923865836 0.172930233271 0.155890277081} H3 18 0.0 1
14 {} {0.847219681837 0.307161329724 0.564040918926} Si12 19 0.0 1
14 {} {0.849052731556 0.382757982816 0.938938365217} Si13 20 0.0 1
14 {} {0.0973578435715 0.307046993714 0.692862387414} Si14 21 0.0 1
14 {} {0.098627125532 0.384862014714 0.811892168412} Si15 22 0.0 1
14 {} {0.849448371768 0.536405552196 0.949140278289} Si16 23 0.0 1
14 {} {0.0972941108878 0.54012466206 0.822216800462} Si17 24 0.0 1
14 {} {0.849447420657 0.463790647641 0.563332678448} Si18 25 0.0 1
14 {} {0.84385478025 0.227911972612 0.942859509787} Si19 26 0.0 1
14 {} {0.0983865705541 0.463595235766 0.693274329692} Si20 27 0.0 1
14 {} {0.0937963216045 0.22860130092 0.81509171668} Si21 28 0.0 1
8 {} {0.360038584007 0.588434827444 0.0458298076804} O5 29 0.0 1
1 {} {0.260777151673 0.593016019389 0.106109897489} H4 30 0.0 1
8 {} {0.105864426307 0.595241697432 0.73947738123} O6 31 0.0 1
1 {} {0.00996616659622 0.620754742202 0.74177610807} H5 32 0.0 1
8 {} {0.332835773785 0.176227723402 0.0411243568188} O7 33 0.0 1
1 {} {0.931966926931 0.1729840249 0.101566199408} H6 34 0.0 1
8 {} {0.0830593008724 0.177561119529 0.715151874595} O8 35 0.0 1
1 {} {0.182370997387 0.174285857815 0.65500310155} H7 36 0.0 1
14 {} {0.347226755913 0.306406540017 0.0635924377514} Si22 37 0.0 1
14 {} {0.348176497541 0.384779182163 0.444448454463} Si23 38 0.0 1
14 {} {0.597420493055 0.306290437643 0.193057812965} Si24 39 0.0 1
14 {} {0.598167080938 0.382536339744 0.317726204608} Si25 40 0.0 1
14 {} {0.356252309624 0.53876008658 0.432900575608} Si26 41 0.0 1
14 {} {0.605163105511 0.536096085383 0.306330523814} Si27 42 0.0 1
14 {} {0.347790307266 0.457615565752 0.0651125246615} Si28 43 0.0 1
14 {} {0.344154164105 0.228592479846 0.44193332509} Si29 44 0.0 1
14 {} {0.599070517298 0.457338430167 0.191319183574} Si30 45 0.0 1
14 {} {0.594025407789 0.227773660091 0.313979239133} Si31 46 0.0 1
8 {} {0.838442316539 0.596302148566 0.513392105033} O9 47 0.0 1
1 {} {0.937260346471 0.620713906259 0.51676282514} H8 48 0.0 1
8 {} {0.613426635952 0.58822310322 0.21009747486} O10 49 0.0 1
1 {} {0.512073903899 0.592391712887 0.151283898223} H9 50 0.0 1
8 {} {0.833096741618 0.177663707243 0.542014991127} O11 51 0.0 1
1 {} {0.432219090782 0.174287007252 0.60206943062} H10 52 0.0 1
8 {} {0.583115793982 0.176098678925 0.215857041813} O12 53 0.0 1
1 {} {0.681955036048 0.172719595884 0.155488791675} H11 54 0.0 1
14 {} {0.347607383138 0.307075842515 0.564159375002} Si32 55 0.0 1
14 {} {0.347954227553 0.382694931949 0.939011557475} Si33 56 0.0 1
14 {} {0.597461292193 0.307173928931 0.693232603031} Si34 57 0.0 1
14 {} {0.598574086905 0.384926360316 0.81272920641} Si35 58 0.0 1
14 {} {0.346563413257 0.536376205295 0.949720354271} Si36 59 0.0 1
14 {} {0.596621944166 0.538516339715 0.824990599908} Si37 60 0.0 1
14 {} {0.348879526707 0.463233525144 0.564069948765} Si38 61 0.0 1
14 {} {0.343673672862 0.227871380046 0.942891707869} Si39 62 0.0 1
14 {} {0.599336571998 0.463321869059 0.692881392101} Si40 63 0.0 1
14 {} {0.593746412406 0.228674948695 0.815255571225} Si41 64 0.0 1
8 {} {0.862001778445 0.588893073999 0.0443968249593} O13 65 0.0 1
1 {} {0.761872391593 0.592868280125 0.104651014423} H12 66 0.0 1
8 {} {0.590945913279 0.593603029429 0.742867057087} O14 67 0.0 1
14 {} {0.605603313421 0.657584125586 0.740759373873} Si42 68 0.0 1
8 {} {0.833154253493 0.176279771309 0.0411396031787} O15 69 0.0 1
1 {} {0.431880204121 0.17278590269 0.101292644733} H13 70 0.0 1
8 {} {0.583015027481 0.177706966835 0.715144788288} O16 71 0.0 1
1 {} {0.682335045577 0.174447582007 0.654978611282} H14 72 0.0 1
7 {} {0.472684687065 0.684339244625 0.633050206493} N 73 0.0 1
1 {} {0.460601676587 0.725263205948 0.64020909021} H16 74 0.0 1
9 {} {0.810011916261 0.670931240153 0.720980894224} F4 75 0.0 1
9 {} {0.403672923649 0.680019547425 0.386306706535} F5 76 0.0 1
9 {} {0.56484864808 0.681111003869 0.874403669898} F3 77 0.0 1
9 {} {0.14681855043 0.67140508723 0.531085659639} F1 78 0.0 1
9 {} {0.421285947611 0.793216439385 0.667405016545} F2 79 0.0 1
9 {} {0.580292259239 0.813892231425 0.583640346428} F6 80 0.0 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} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
2 0 0 0
19 0 0 0
25 0 0 0
38 0 0 0
3 1 0 0
18 1 0 0
24 1 0 0
39 1 0 0
3 2 0 0
9 2 0 0
36 2 0 0
8 3 0 0
37 3 0 0
5 4 0 0
41 4 0 0
46 4 0 0
8 5 0 0
12 5 0 0
40 5 0 0
8 6 0 0
19 6 0 0
22 6 0 0
44 6 0 0
9 7 0 0
18 7 0 0
45 7 0 0
50 7 0 0
42 8 0 0
16 9 0 0
43 9 0 0
11 10 0 0
40 10 0 0
72 11 0 0
75 11 0 0
77 11 0 0
13 12 0 0
43 14 0 0
51 14 0 0
50 15 0 0
17 16 0 0
20 18 0 0
56 18 0 0
21 19 0 0
57 19 0 0
21 20 0 0
27 20 0 0
54 20 0 0
26 21 0 0
55 21 0 0
23 22 0 0
59 22 0 0
64 22 0 0
26 23 0 0
30 23 0 0
58 23 0 0
26 24 0 0
62 24 0 0
27 25 0 0
63 25 0 0
68 25 0 0
60 26 0 0
34 27 0 0
61 27 0 0
29 28 0 0
58 28 0 0
31 30 0 0
61 32 0 0
69 32 0 0
68 33 0 0
35 34 0 0
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55 36 0 0
61 36 0 0
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60 37 0 0
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44 39 0 0
41 40 0 0
60 40 0 0
44 41 0 0
48 41 0 0
44 42 0 0
55 42 0 0
58 42 0 0
45 43 0 0
54 43 0 0
52 45 0 0
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49 48 0 0
53 52 0 0
56 54 0 0
57 55 0 0
57 56 0 0
63 56 0 0
62 57 0 0
59 58 0 0
62 59 0 0
66 59 0 0
62 60 0 0
63 61 0 0
70 63 0 0
65 64 0 0
67 66 0 0
72 67 0 0
74 67 0 0
76 67 0 0
71 70 0 0
73 72 0 0
24 4 0 0
79 78 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 2 {1 0 0} 0
1 19 0 {0 0 1} 0
2 25 0 {0 0 1} 0
3 38 0 {0 0 0} 0
4 1 3 {1 0 0} 0
5 18 1 {0 0 0} 0
6 24 1 {0 0 0} 0
7 39 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 9 2 {0 0 0} 0
10 36 2 {0 0 0} 0
11 8 3 {0 0 0} 0
12 37 3 {0 0 0} 0
13 4 5 {1 0 0} 0
14 41 4 {0 0 0} 0
15 46 4 {0 0 0} 0
16 8 5 {0 0 0} 0
17 12 5 {0 0 0} 0
18 40 5 {0 0 0} 0
19 6 8 {1 0 0} 0
20 19 6 {0 0 1} 0
21 22 6 {0 0 1} 0
22 44 6 {0 0 0} 0
23 7 9 {1 0 0} 0
24 18 7 {0 0 0} 0
25 45 7 {0 0 0} 0
26 50 7 {0 0 0} 0
27 42 8 {0 0 0} 0
28 16 9 {0 0 0} 0
29 43 9 {0 0 0} 0
30 11 10 {0 0 0} 0
31 40 10 {0 0 0} 0
32 72 11 {0 0 0} 0
33 75 11 {0 0 0} 0
34 77 11 {0 0 0} 0
35 13 12 {0 0 0} 0
36 43 14 {0 0 0} 0
37 51 14 {0 0 0} 0
38 50 15 {0 0 0} 0
39 17 16 {0 0 0} 0
40 18 20 {1 0 0} 0
41 56 18 {0 0 0} 0
42 19 21 {1 0 0} 0
43 57 19 {0 0 0} 0
44 21 20 {0 0 0} 0
45 27 20 {0 0 0} 0
46 54 20 {0 0 0} 0
47 26 21 {0 0 0} 0
48 55 21 {0 0 0} 0
49 22 23 {1 0 0} 0
50 59 22 {0 0 0} 0
51 22 64 {0 0 1} 0
52 26 23 {0 0 0} 0
53 30 23 {0 0 0} 0
54 58 23 {0 0 0} 0
55 24 26 {1 0 0} 0
56 62 24 {0 0 0} 0
57 25 27 {1 0 0} 0
58 63 25 {0 0 0} 0
59 25 68 {0 0 1} 0
60 60 26 {0 0 0} 0
61 34 27 {0 0 0} 0
62 61 27 {0 0 0} 0
63 29 28 {0 0 0} 0
64 58 28 {0 0 1} 0
65 31 30 {0 0 0} 0
66 61 32 {0 0 1} 0
67 69 32 {0 0 0} 0
68 68 33 {0 0 0} 0
69 35 34 {0 0 0} 0
70 38 36 {0 0 0} 0
71 55 36 {0 0 1} 0
72 61 36 {0 0 1} 0
73 39 37 {0 0 0} 0
74 54 37 {0 0 0} 0
75 60 37 {0 0 0} 0
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78 44 39 {0 0 0} 0
79 41 40 {0 0 0} 0
80 60 40 {0 0 0} 0
81 44 41 {0 0 0} 0
82 48 41 {0 0 0} 0
83 44 42 {0 0 0} 0
84 55 42 {0 0 1} 0
85 58 42 {0 0 1} 0
86 45 43 {0 0 0} 0
87 54 43 {0 0 0} 0
88 52 45 {0 0 0} 0
89 47 46 {0 0 0} 0
90 49 48 {0 0 0} 0
91 53 52 {0 0 0} 0
92 56 54 {0 0 0} 0
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94 57 56 {0 0 0} 0
95 63 56 {0 0 0} 0
96 62 57 {0 0 0} 0
97 59 58 {0 0 0} 0
98 62 59 {0 0 0} 0
99 66 59 {0 0 0} 0
100 62 60 {0 0 0} 0
101 63 61 {0 0 0} 0
102 70 63 {0 0 0} 0
103 65 64 {0 0 0} 0
104 67 66 {0 0 0} 0
105 72 67 {0 0 0} 0
106 74 67 {0 0 0} 0
107 76 67 {0 0 0} 0
108 71 70 {0 0 0} 0
109 73 72 {0 0 0} 0
110 4 24 {0 0 0} 0
111 78 79 {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