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/[conograph]/BLDConograph_ver1/trunk/sample/sample7(Rhombohedral;4.76,4.76,13,90,90,120)/output/Alumina676.out.xml

Contents of /BLDConograph_ver1/trunk/sample/sample7(Rhombohedral;4.76,4.76,13,90,90,120)/output/Alumina676.out.xml

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Revision 32 - (show annotations) (download) (as text)
Sat Aug 6 01:34:09 2016 UTC (7 years, 7 months ago) by rtomiyasu
File MIME type: application/xml
File size: 7539 byte(s) 
Monoclinic(B) -> Monoclinic(C)
1 <?xml version="1.0" encoding="UTF-8"?>
2 <ZCodeParameters>
3 <BLDConographOutput>
4 <!-- Bravais lattice with minimal distance.
5 (The distance between two unit cells is computed by
6 Trace((S-T)^2) := \sum_{1 <= i,j <= 3} (sij-tij)^2
7 using the Delone-reduced metric tensors S := (sij) and T := (tij) of their reciprocal lattices.)
8
9 CentringType NumberOfSolusions DistanceFromInputUnitCell : unit-cell parameters.
10 Cubic(F) 1 1.1558e-001 : 6.9817e+000 6.9817e+000 6.9817e+000 9.0000e+001 9.0000e+001 9.0000e+001
11 Cubic(I) 0
12 Cubic(P) 0
13 Hexagonal 0
14 Rhombohedral 1 4.3662e-002 : 4.7554e+000 4.7554e+000 1.3071e+001 9.0000e+001 9.0000e+001 1.2000e+002
15 Tetragonal(I) 3 1.1018e-001 : 4.9024e+000 4.9024e+000 7.0823e+000 9.0000e+001 9.0000e+001 9.0000e+001
16 Tetragonal(P) 0
17 Orthorhombic(F) 1 1.1016e-001 : 6.9231e+000 6.9429e+000 7.0823e+000 9.0000e+001 9.0000e+001 9.0000e+001
18 Orthorhombic(I) 3 9.2287e-002 : 4.7428e+000 5.0793e+000 7.0823e+000 9.0000e+001 9.0000e+001 9.0000e+001
19 Orthorhombic(C) 0
20 Orthorhombic(P) 0
21 Monoclinic(B) 5 1.7049e-002 : 8.3053e+000 4.7428e+000 5.1093e+000 9.0000e+001 1.2149e+002 9.0000e+001
22 Monoclinic(P) 0
23
24 -->
25
26
27 <!-- Candidates for Cubic(F) -->
28
29 <UnitCellCandidate number="1402">
30 <CrystalSystem> Cubic(F) </CrystalSystem>
31
32 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
33 <UnitCellParameters> 6.9817e+000 6.9817e+000 6.9817e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
34 <DistanceFromInputUnitCell> 1.1558e-001 </DistanceFromInputUnitCell>
35 </UnitCellCandidate>
36
37
38
39 <!-- Candidates for Cubic(I) -->
40
41
42
43 <!-- Candidates for Cubic(P) -->
44
45
46
47 <!-- Candidates for Hexagonal -->
48
49
50
51 <!-- Candidates for Rhombohedral -->
52
53 <UnitCellCandidate number="1002">
54 <CrystalSystem> Rhombohedral </CrystalSystem>
55
56 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
57 <UnitCellParameters axis="Rhombohedral"> 5.1498e+000 5.1498e+000 5.1498e+000 5.4994e+001 5.4994e+001 5.4994e+001 </UnitCellParameters>
58 <UnitCellParameters axis="Hexagonal"> 4.7554e+000 4.7554e+000 1.3071e+001 9.0000e+001 9.0000e+001 1.2000e+002 </UnitCellParameters>
59
60 <DistanceFromInputUnitCell> 4.3662e-002 </DistanceFromInputUnitCell>
61 </UnitCellCandidate>
62
63
64
65 <!-- Candidates for Tetragonal(I) -->
66
67 <UnitCellCandidate number="0904">
68 <CrystalSystem> Tetragonal(I) </CrystalSystem>
69
70 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
71 <UnitCellParameters> 4.9024e+000 4.9024e+000 7.0823e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
72 <DistanceFromInputUnitCell> 1.1018e-001 </DistanceFromInputUnitCell>
73 </UnitCellCandidate>
74
75 <UnitCellCandidate number="0904">
76 <CrystalSystem> Tetragonal(I) </CrystalSystem>
77
78 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
79 <UnitCellParameters> 4.9579e+000 4.9579e+000 6.9231e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
80 <DistanceFromInputUnitCell> 1.1398e-001 </DistanceFromInputUnitCell>
81 </UnitCellCandidate>
82
83 <UnitCellCandidate number="0904">
84 <CrystalSystem> Tetragonal(I) </CrystalSystem>
85
86 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
87 <UnitCellParameters> 4.9507e+000 4.9507e+000 6.9429e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
88 <DistanceFromInputUnitCell> 1.1461e-001 </DistanceFromInputUnitCell>
89 </UnitCellCandidate>
90
91
92
93 <!-- Candidates for Tetragonal(P) -->
94
95
96
97 <!-- Candidates for Orthorhombic(F) -->
98
99 <UnitCellCandidate number="0702">
100 <CrystalSystem> Orthorhombic(F) </CrystalSystem>
101
102 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
103 <UnitCellParameters> 6.9231e+000 6.9429e+000 7.0823e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
104 <DistanceFromInputUnitCell> 1.1016e-001 </DistanceFromInputUnitCell>
105 </UnitCellCandidate>
106
107
108
109 <!-- Candidates for Orthorhombic(I) -->
110
111 <UnitCellCandidate number="0604">
112 <CrystalSystem> Orthorhombic(I) </CrystalSystem>
113
114 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
115 <UnitCellParameters> 4.7428e+000 5.0793e+000 7.0823e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
116 <DistanceFromInputUnitCell> 9.2287e-002 </DistanceFromInputUnitCell>
117 </UnitCellCandidate>
118
119 <UnitCellCandidate number="0604">
120 <CrystalSystem> Orthorhombic(I) </CrystalSystem>
121
122 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
123 <UnitCellParameters> 4.7829e+000 5.1537e+000 6.9231e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
124 <DistanceFromInputUnitCell> 1.0545e-001 </DistanceFromInputUnitCell>
125 </UnitCellCandidate>
126
127 <UnitCellCandidate number="0604">
128 <CrystalSystem> Orthorhombic(I) </CrystalSystem>
129
130 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
131 <UnitCellParameters> 4.7789e+000 5.1425e+000 6.9429e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
132 <DistanceFromInputUnitCell> 1.0658e-001 </DistanceFromInputUnitCell>
133 </UnitCellCandidate>
134
135
136
137 <!-- Candidates for Orthorhombic(C) -->
138
139
140
141 <!-- Candidates for Orthorhombic(P) -->
142
143
144
145 <!-- Candidates for Monoclinic(B) -->
146
147 <UnitCellCandidate number="0306">
148 <CrystalSystem> Monoclinic(B) </CrystalSystem>
149
150 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
151 <UnitCellParameters> 8.3053e+000 4.7428e+000 5.1093e+000 9.0000e+001 1.2149e+002 9.0000e+001 </UnitCellParameters>
152 <DistanceFromInputUnitCell> 1.7049e-002 </DistanceFromInputUnitCell>
153 </UnitCellCandidate>
154
155 <UnitCellCandidate number="0306">
156 <CrystalSystem> Monoclinic(B) </CrystalSystem>
157
158 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
159 <UnitCellParameters> 8.2339e+000 4.7829e+000 5.1819e+000 9.0000e+001 1.2278e+002 9.0000e+001 </UnitCellParameters>
160 <DistanceFromInputUnitCell> 4.0360e-002 </DistanceFromInputUnitCell>
161 </UnitCellCandidate>
162
163 <UnitCellCandidate number="0306">
164 <CrystalSystem> Monoclinic(B) </CrystalSystem>
165
166 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
167 <UnitCellParameters> 8.2403e+000 4.7789e+000 5.1711e+000 9.0000e+001 1.2259e+002 9.0000e+001 </UnitCellParameters>
168 <DistanceFromInputUnitCell> 4.3282e-002 </DistanceFromInputUnitCell>
169 </UnitCellCandidate>
170
171 <UnitCellCandidate number="0306">
172 <CrystalSystem> Monoclinic(B) </CrystalSystem>
173
174 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
175 <UnitCellParameters> 6.9623e+000 6.9231e+000 4.7839e+000 9.0000e+001 1.3225e+002 9.0000e+001 </UnitCellParameters>
176 <DistanceFromInputUnitCell> 1.0053e-001 </DistanceFromInputUnitCell>
177 </UnitCellCandidate>
178
179 <UnitCellCandidate number="0306">
180 <CrystalSystem> Monoclinic(B) </CrystalSystem>
181
182 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
183 <UnitCellParameters> 8.4056e+000 5.1537e+000 4.7829e+000 9.0000e+001 1.2455e+002 9.0000e+001 </UnitCellParameters>
184 <DistanceFromInputUnitCell> 1.0544e-001 </DistanceFromInputUnitCell>
185 </UnitCellCandidate>
186
187
188
189 <!-- Candidates for Monoclinic(P) -->
190
191
192 </BLDConographOutput>
193 </ZCodeParameters>
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