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/[conograph]/BLDConograph_ver1/trunk/sample/sample3(Cubic(I);18.9,18.9,18.9,90,90,90)/output/sample3.out.xml

Contents of /BLDConograph_ver1/trunk/sample/sample3(Cubic(I);18.9,18.9,18.9,90,90,90)/output/sample3.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) 0
11 Cubic(I) 1 5.8622e-003 : 1.8885e+001 1.8885e+001 1.8885e+001 9.0000e+001 9.0000e+001 9.0000e+001
12 Cubic(P) 0
13 Hexagonal 0
14 Rhombohedral 4 4.1921e-003 : 2.6673e+001 2.6673e+001 1.6384e+001 9.0000e+001 9.0000e+001 1.2000e+002
15 Tetragonal(I) 3 5.6109e-003 : 1.8897e+001 1.8897e+001 1.8862e+001 9.0000e+001 9.0000e+001 9.0000e+001
16 Tetragonal(P) 0
17 Orthorhombic(F) 3 4.0593e-003 : 1.8862e+001 2.6698e+001 2.6751e+001 9.0000e+001 9.0000e+001 9.0000e+001
18 Orthorhombic(I) 1 5.6024e-003 : 1.8862e+001 1.8896e+001 1.8898e+001 9.0000e+001 9.0000e+001 9.0000e+001
19 Orthorhombic(C) 0
20 Orthorhombic(P) 0
21 Monoclinic(B) 9 3.2726e-003 : 1.8862e+001 2.6698e+001 1.6348e+001 9.0000e+001 1.2510e+002 9.0000e+001
22 Monoclinic(P) 0
23
24 -->
25
26
27 <!-- Candidates for Cubic(F) -->
28
29
30
31 <!-- Candidates for Cubic(I) -->
32
33 <UnitCellCandidate number="1302">
34 <CrystalSystem> Cubic(I) </CrystalSystem>
35
36 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
37 <UnitCellParameters> 1.8885e+001 1.8885e+001 1.8885e+001 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
38 <DistanceFromInputUnitCell> 5.8622e-003 </DistanceFromInputUnitCell>
39 </UnitCellCandidate>
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"> 1.6339e+001 1.6339e+001 1.6339e+001 1.0942e+002 1.0942e+002 1.0942e+002 </UnitCellParameters>
58 <UnitCellParameters axis="Hexagonal"> 2.6673e+001 2.6673e+001 1.6384e+001 9.0000e+001 9.0000e+001 1.2000e+002 </UnitCellParameters>
59
60 <DistanceFromInputUnitCell> 4.1921e-003 </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"> 1.6366e+001 1.6366e+001 1.6366e+001 1.0951e+002 1.0951e+002 1.0951e+002 </UnitCellParameters>
68 <UnitCellParameters axis="Hexagonal"> 2.6732e+001 2.6732e+001 1.6332e+001 9.0000e+001 9.0000e+001 1.2000e+002 </UnitCellParameters>
69
70 <DistanceFromInputUnitCell> 4.8181e-003 </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"> 1.6364e+001 1.6364e+001 1.6364e+001 1.0949e+002 1.0949e+002 1.0949e+002 </UnitCellParameters>
78 <UnitCellParameters axis="Hexagonal"> 2.6725e+001 2.6725e+001 1.6348e+001 9.0000e+001 9.0000e+001 1.2000e+002 </UnitCellParameters>
79
80 <DistanceFromInputUnitCell> 5.9865e-003 </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"> 1.6342e+001 1.6342e+001 1.6342e+001 1.0945e+002 1.0945e+002 1.0945e+002 </UnitCellParameters>
88 <UnitCellParameters axis="Hexagonal"> 2.6684e+001 2.6684e+001 1.6357e+001 9.0000e+001 9.0000e+001 1.2000e+002 </UnitCellParameters>
89
90 <DistanceFromInputUnitCell> 6.7256e-003 </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> 1.8897e+001 1.8897e+001 1.8862e+001 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
102 <DistanceFromInputUnitCell> 5.6109e-003 </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> 1.8879e+001 1.8879e+001 1.8898e+001 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
110 <DistanceFromInputUnitCell> 5.7448e-003 </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> 1.8880e+001 1.8880e+001 1.8896e+001 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
118 <DistanceFromInputUnitCell> 5.9891e-003 </DistanceFromInputUnitCell>
119 </UnitCellCandidate>
120
121
122
123 <!-- Candidates for Tetragonal(P) -->
124
125
126
127 <!-- Candidates for Orthorhombic(F) -->
128
129 <UnitCellCandidate number="0704">
130 <CrystalSystem> Orthorhombic(F) </CrystalSystem>
131
132 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
133 <UnitCellParameters> 1.8862e+001 2.6698e+001 2.6751e+001 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
134 <DistanceFromInputUnitCell> 4.0593e-003 </DistanceFromInputUnitCell>
135 </UnitCellCandidate>
136
137 <UnitCellCandidate number="0704">
138 <CrystalSystem> Orthorhombic(F) </CrystalSystem>
139
140 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
141 <UnitCellParameters> 1.8898e+001 2.6661e+001 2.6736e+001 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
142 <DistanceFromInputUnitCell> 4.7052e-003 </DistanceFromInputUnitCell>
143 </UnitCellCandidate>
144
145 <UnitCellCandidate number="0704">
146 <CrystalSystem> Orthorhombic(F) </CrystalSystem>
147
148 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
149 <UnitCellParameters> 1.8896e+001 2.6693e+001 2.6707e+001 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
150 <DistanceFromInputUnitCell> 5.8942e-003 </DistanceFromInputUnitCell>
151 </UnitCellCandidate>
152
153
154
155 <!-- Candidates for Orthorhombic(I) -->
156
157 <UnitCellCandidate number="0602">
158 <CrystalSystem> Orthorhombic(I) </CrystalSystem>
159
160 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
161 <UnitCellParameters> 1.8862e+001 1.8896e+001 1.8898e+001 9.0000e+001 9.0000e+001 9.0000e+001 </UnitCellParameters>
162 <DistanceFromInputUnitCell> 5.6024e-003 </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> 1.8862e+001 2.6698e+001 1.6348e+001 9.0000e+001 1.2510e+002 9.0000e+001 </UnitCellParameters>
182 <DistanceFromInputUnitCell> 3.2726e-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> 1.8897e+001 2.6693e+001 1.6332e+001 9.0000e+001 1.2515e+002 9.0000e+001 </UnitCellParameters>
190 <DistanceFromInputUnitCell> 3.9739e-003 </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> 1.8898e+001 2.6661e+001 1.6357e+001 9.0000e+001 1.2519e+002 9.0000e+001 </UnitCellParameters>
198 <DistanceFromInputUnitCell> 4.0182e-003 </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> 2.6698e+001 1.8862e+001 1.8896e+001 9.0000e+001 1.3494e+002 9.0000e+001 </UnitCellParameters>
206 <DistanceFromInputUnitCell> 4.0368e-003 </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> 1.8862e+001 2.6751e+001 1.6332e+001 9.0000e+001 1.2518e+002 9.0000e+001 </UnitCellParameters>
214 <DistanceFromInputUnitCell> 4.0839e-003 </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> 1.8898e+001 2.6736e+001 1.6332e+001 9.0000e+001 1.2529e+002 9.0000e+001 </UnitCellParameters>
222 <DistanceFromInputUnitCell> 4.1821e-003 </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> 2.6661e+001 1.8898e+001 1.8862e+001 9.0000e+001 1.3487e+002 9.0000e+001 </UnitCellParameters>
230 <DistanceFromInputUnitCell> 4.4327e-003 </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> 2.6693e+001 1.8896e+001 1.8862e+001 9.0000e+001 1.3493e+002 9.0000e+001 </UnitCellParameters>
238 <DistanceFromInputUnitCell> 5.5786e-003 </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> 1.8896e+001 2.6707e+001 1.6348e+001 9.0000e+001 1.2527e+002 9.0000e+001 </UnitCellParameters>
246 <DistanceFromInputUnitCell> 6.0296e-003 </DistanceFromInputUnitCell>
247 </UnitCellCandidate>
248
249
250
251 <!-- Candidates for Monoclinic(P) -->
252
253
254 </BLDConographOutput>
255 </ZCodeParameters>
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