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/[conograph]/BLDConograph_ver1/trunk/sample/sample4(Cubic(F);5.27,5.27,5.27,90,90,90)/output/CeO2_matsushita.out.xml

Contents of /BLDConograph_ver1/trunk/sample/sample4(Cubic(F);5.27,5.27,5.27,90,90,90)/output/CeO2_matsushita.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: 10725 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 1.6706e-002 : 5.2724e+000 5.2724e+000 5.2724e+000 9.0000e+001 9.0000e+001 9.0000e+001
11 Cubic(I) 0
12 Cubic(P) 0
13 Hexagonal 0
14 Rhombohedral 4 1.5678e-002 : 3.7290e+000 3.7290e+000 9.1262e+000 9.0000e+001 9.0000e+001 1.2000e+002
15 Tetragonal(I) 3 1.2480e-002 : 3.7300e+000 3.7300e+000 5.2672e+000 9.0000e+001 9.0000e+001 9.0000e+001
16 Tetragonal(P) 0
17 Orthorhombic(F) 1 1.2457e-002 : 5.2672e+000 5.2737e+000 5.2764e+000 9.0000e+001 9.0000e+001 9.0000e+001
18 Orthorhombic(I) 3 1.2548e-002 : 3.7291e+000 3.7310e+000 5.2672e+000 9.0000e+001 9.0000e+001 9.0000e+001
19 Orthorhombic(C) 0
20 Orthorhombic(P) 0
21 Monoclinic(B) 9 7.9909e-003 : 6.4506e+000 3.7310e+000 3.7291e+000 9.0000e+001 1.2526e+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> 5.2724e+000 5.2724e+000 5.2724e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
34 <DistanceFromInputUnitCell> 1.6706e-002 </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="1005">
54 <CrystalSystem> Rhombohedral </CrystalSystem>
55
56 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
57 <UnitCellParameters axis="Rhombohedral"> 3.7268e+000 3.7268e+000 3.7268e+000 6.0038e+001 6.0038e+001 6.0038e+001 </UnitCellParameters>
58 <UnitCellParameters axis="Hexagonal"> 3.7290e+000 3.7290e+000 9.1262e+000 9.0000e+001 9.0000e+001 1.2000e+002 </UnitCellParameters>
59
60 <DistanceFromInputUnitCell> 1.5678e-002 </DistanceFromInputUnitCell>
61 </UnitCellCandidate>
62
63 <UnitCellCandidate number="1005">
64 <CrystalSystem> Rhombohedral </CrystalSystem>
65
66 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
67 <UnitCellParameters axis="Rhombohedral"> 3.7290e+000 3.7290e+000 3.7290e+000 5.9984e+001 5.9984e+001 5.9984e+001 </UnitCellParameters>
68 <UnitCellParameters axis="Hexagonal"> 3.7281e+000 3.7281e+000 9.1353e+000 9.0000e+001 9.0000e+001 1.2000e+002 </UnitCellParameters>
69
70 <DistanceFromInputUnitCell> 1.5707e-002 </DistanceFromInputUnitCell>
71 </UnitCellCandidate>
72
73 <UnitCellCandidate number="1005">
74 <CrystalSystem> Rhombohedral </CrystalSystem>
75
76 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
77 <UnitCellParameters axis="Rhombohedral"> 3.7293e+000 3.7293e+000 3.7293e+000 6.0000e+001 6.0000e+001 6.0000e+001 </UnitCellParameters>
78 <UnitCellParameters axis="Hexagonal"> 3.7293e+000 3.7293e+000 9.1349e+000 9.0000e+001 9.0000e+001 1.2000e+002 </UnitCellParameters>
79
80 <DistanceFromInputUnitCell> 1.5827e-002 </DistanceFromInputUnitCell>
81 </UnitCellCandidate>
82
83 <UnitCellCandidate number="1005">
84 <CrystalSystem> Rhombohedral </CrystalSystem>
85
86 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
87 <UnitCellParameters axis="Rhombohedral"> 3.7283e+000 3.7283e+000 3.7283e+000 6.0002e+001 6.0002e+001 6.0002e+001 </UnitCellParameters>
88 <UnitCellParameters axis="Hexagonal"> 3.7284e+000 3.7284e+000 9.1322e+000 9.0000e+001 9.0000e+001 1.2000e+002 </UnitCellParameters>
89
90 <DistanceFromInputUnitCell> 1.6590e-002 </DistanceFromInputUnitCell>
91 </UnitCellCandidate>
92
93
94
95 <!-- Candidates for Tetragonal(I) -->
96
97 <UnitCellCandidate number="0904">
98 <CrystalSystem> Tetragonal(I) </CrystalSystem>
99
100 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
101 <UnitCellParameters> 3.7300e+000 3.7300e+000 5.2672e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
102 <DistanceFromInputUnitCell> 1.2480e-002 </DistanceFromInputUnitCell>
103 </UnitCellCandidate>
104
105 <UnitCellCandidate number="0904">
106 <CrystalSystem> Tetragonal(I) </CrystalSystem>
107
108 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
109 <UnitCellParameters> 3.7268e+000 3.7268e+000 5.2764e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
110 <DistanceFromInputUnitCell> 1.5458e-002 </DistanceFromInputUnitCell>
111 </UnitCellCandidate>
112
113 <UnitCellCandidate number="0904">
114 <CrystalSystem> Tetragonal(I) </CrystalSystem>
115
116 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
117 <UnitCellParameters> 3.7277e+000 3.7277e+000 5.2737e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
118 <DistanceFromInputUnitCell> 1.6358e-002 </DistanceFromInputUnitCell>
119 </UnitCellCandidate>
120
121
122
123 <!-- Candidates for Tetragonal(P) -->
124
125
126
127 <!-- Candidates for Orthorhombic(F) -->
128
129 <UnitCellCandidate number="0702">
130 <CrystalSystem> Orthorhombic(F) </CrystalSystem>
131
132 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
133 <UnitCellParameters> 5.2672e+000 5.2737e+000 5.2764e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
134 <DistanceFromInputUnitCell> 1.2457e-002 </DistanceFromInputUnitCell>
135 </UnitCellCandidate>
136
137
138
139 <!-- Candidates for Orthorhombic(I) -->
140
141 <UnitCellCandidate number="0604">
142 <CrystalSystem> Orthorhombic(I) </CrystalSystem>
143
144 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
145 <UnitCellParameters> 3.7291e+000 3.7310e+000 5.2672e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
146 <DistanceFromInputUnitCell> 1.2548e-002 </DistanceFromInputUnitCell>
147 </UnitCellCandidate>
148
149 <UnitCellCandidate number="0604">
150 <CrystalSystem> Orthorhombic(I) </CrystalSystem>
151
152 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
153 <UnitCellParameters> 3.7250e+000 3.7286e+000 5.2764e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
154 <DistanceFromInputUnitCell> 1.4408e-002 </DistanceFromInputUnitCell>
155 </UnitCellCandidate>
156
157 <UnitCellCandidate number="0604">
158 <CrystalSystem> Orthorhombic(I) </CrystalSystem>
159
160 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
161 <UnitCellParameters> 3.7269e+000 3.7286e+000 5.2737e+000 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
162 <DistanceFromInputUnitCell> 1.6450e-002 </DistanceFromInputUnitCell>
163 </UnitCellCandidate>
164
165
166
167 <!-- Candidates for Orthorhombic(C) -->
168
169
170
171 <!-- Candidates for Orthorhombic(P) -->
172
173
174
175 <!-- Candidates for Monoclinic(B) -->
176
177 <UnitCellCandidate number="03010">
178 <CrystalSystem> Monoclinic(B) </CrystalSystem>
179
180 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
181 <UnitCellParameters> 6.4506e+000 3.7310e+000 3.7291e+000 9.0000e+001 1.2526e+002 9.0000e+001 </UnitCellParameters>
182 <DistanceFromInputUnitCell> 7.9909e-003 </DistanceFromInputUnitCell>
183 </UnitCellCandidate>
184
185 <UnitCellCandidate number="03010">
186 <CrystalSystem> Monoclinic(B) </CrystalSystem>
187
188 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
189 <UnitCellParameters> 5.2672e+000 5.2764e+000 3.7250e+000 9.0000e+001 1.3494e+002 9.0000e+001 </UnitCellParameters>
190 <DistanceFromInputUnitCell> 1.0019e-002 </DistanceFromInputUnitCell>
191 </UnitCellCandidate>
192
193 <UnitCellCandidate number="03010">
194 <CrystalSystem> Monoclinic(B) </CrystalSystem>
195
196 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
197 <UnitCellParameters> 5.2737e+000 5.2672e+000 3.7291e+000 9.0000e+001 1.3497e+002 9.0000e+001 </UnitCellParameters>
198 <DistanceFromInputUnitCell> 1.2526e-002 </DistanceFromInputUnitCell>
199 </UnitCellCandidate>
200
201 <UnitCellCandidate number="03010">
202 <CrystalSystem> Monoclinic(B) </CrystalSystem>
203
204 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
205 <UnitCellParameters> 5.2672e+000 5.2737e+000 3.7269e+000 9.0000e+001 1.3494e+002 9.0000e+001 </UnitCellParameters>
206 <DistanceFromInputUnitCell> 1.2661e-002 </DistanceFromInputUnitCell>
207 </UnitCellCandidate>
208
209 <UnitCellCandidate number="03010">
210 <CrystalSystem> Monoclinic(B) </CrystalSystem>
211
212 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
213 <UnitCellParameters> 6.4537e+000 3.7291e+000 3.7310e+000 9.0000e+001 1.2530e+002 9.0000e+001 </UnitCellParameters>
214 <DistanceFromInputUnitCell> 1.2730e-002 </DistanceFromInputUnitCell>
215 </UnitCellCandidate>
216
217 <UnitCellCandidate number="03010">
218 <CrystalSystem> Monoclinic(B) </CrystalSystem>
219
220 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
221 <UnitCellParameters> 6.4567e+000 3.7286e+000 3.7250e+000 9.0000e+001 1.2519e+002 9.0000e+001 </UnitCellParameters>
222 <DistanceFromInputUnitCell> 1.3487e-002 </DistanceFromInputUnitCell>
223 </UnitCellCandidate>
224
225 <UnitCellCandidate number="03010">
226 <CrystalSystem> Monoclinic(B) </CrystalSystem>
227
228 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
229 <UnitCellParameters> 6.4607e+000 3.7250e+000 3.7286e+000 9.0000e+001 1.2524e+002 9.0000e+001 </UnitCellParameters>
230 <DistanceFromInputUnitCell> 1.4251e-002 </DistanceFromInputUnitCell>
231 </UnitCellCandidate>
232
233 <UnitCellCandidate number="03010">
234 <CrystalSystem> Monoclinic(B) </CrystalSystem>
235
236 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
237 <UnitCellParameters> 6.4545e+000 3.7286e+000 3.7269e+000 9.0000e+001 1.2521e+002 9.0000e+001 </UnitCellParameters>
238 <DistanceFromInputUnitCell> 1.4984e-002 </DistanceFromInputUnitCell>
239 </UnitCellCandidate>
240
241 <UnitCellCandidate number="03010">
242 <CrystalSystem> Monoclinic(B) </CrystalSystem>
243
244 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
245 <UnitCellParameters> 6.4577e+000 3.7269e+000 3.7286e+000 9.0000e+001 1.2525e+002 9.0000e+001 </UnitCellParameters>
246 <DistanceFromInputUnitCell> 1.7121e-002 </DistanceFromInputUnitCell>
247 </UnitCellCandidate>
248
249
250
251 <!-- Candidates for Monoclinic(P) -->
252
253
254 </BLDConographOutput>
255 </ZCodeParameters>
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