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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

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revision 31 by rtomiyasu, Mon Feb 17 01:11:58 2014 UTC revision 32 by rtomiyasu, Sat Aug 6 01:34:09 2016 UTC
# Line 6  Line 6 
6               Trace((S-T)^2) := \sum_{1 <= i,j <= 3} (sij-tij)^2               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.)          using the Delone-reduced metric tensors S := (sij) and T := (tij) of their reciprocal lattices.)
8    
9     BravaisLattice  NumberOfSolusions  DistanceFromInputUnitCell : unit-cell parameters.     CentringType  NumberOfSolusions  DistanceFromInputUnitCell : unit-cell parameters.
10            Cubic(F)    1   2.7908e-004 :    5.2724e+000   5.2724e+000   5.2724e+000   9.0000e+001   9.0000e+001   9.0000e+001            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            Cubic(I)    0
12            Cubic(P)    0            Cubic(P)    0
13           Hexagonal    0           Hexagonal    0
14        Rhombohedral    4   2.4581e-004 :    3.7290e+000   3.7290e+000   9.1262e+000   9.0000e+001   9.0000e+001   1.2000e+002        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)    2   1.5574e-004 :    3.7300e+000   3.7300e+000   5.2672e+000   9.0000e+001   9.0000e+001   9.0000e+001       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       Tetragonal(P)    0
17     Orthorhombic(F)    1   1.5518e-004 :    5.2672e+000   5.2737e+000   5.2764e+000   9.0000e+001   9.0000e+001   9.0000e+001     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)    2   1.5746e-004 :    3.7291e+000   3.7310e+000   5.2672e+000   9.0000e+001   9.0000e+001   9.0000e+001     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     Orthorhombic(C)    0
20     Orthorhombic(P)    0     Orthorhombic(P)    0
21       Monoclinic(B)    9   6.3855e-005 :    6.4506e+000   3.7310e+000   3.7291e+000   9.0000e+001   1.2526e+002   9.0000e+001       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       Monoclinic(P)    0
23    
24    -->    -->
# Line 26  Line 26 
26    
27    <!-- Candidates for Cubic(F) -->    <!-- Candidates for Cubic(F) -->
28    
29    <UnitCellCandidate number="1401">    <UnitCellCandidate number="1402">
30     <CrystalSystem>         Cubic(F) </CrystalSystem>     <CrystalSystem>         Cubic(F) </CrystalSystem>
31    
32     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <UnitCellParameters>   5.2724e+000   5.2724e+000   5.2724e+000   9.0000e+001   9.0000e+001   9.0000e+001 </UnitCellParameters>
34     <DistanceFromInputUnitCell>   2.7908e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.6706e-002 </DistanceFromInputUnitCell>
35    </UnitCellCandidate>    </UnitCellCandidate>
36    
37    
# Line 50  Line 50 
50    
51    <!-- Candidates for Rhombohedral -->    <!-- Candidates for Rhombohedral -->
52    
53    <UnitCellCandidate number="1002">    <UnitCellCandidate number="1005">
54     <CrystalSystem>     Rhombohedral </CrystalSystem>     <CrystalSystem>     Rhombohedral </CrystalSystem>
55    
56     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <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>     <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>   2.4581e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.5678e-002 </DistanceFromInputUnitCell>
61    </UnitCellCandidate>    </UnitCellCandidate>
62    
63    <UnitCellCandidate number="1004">    <UnitCellCandidate number="1005">
64     <CrystalSystem>     Rhombohedral </CrystalSystem>     <CrystalSystem>     Rhombohedral </CrystalSystem>
65    
66     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <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>     <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>   2.4670e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.5707e-002 </DistanceFromInputUnitCell>
71    </UnitCellCandidate>    </UnitCellCandidate>
72    
73    <UnitCellCandidate number="1001">    <UnitCellCandidate number="1005">
74     <CrystalSystem>     Rhombohedral </CrystalSystem>     <CrystalSystem>     Rhombohedral </CrystalSystem>
75    
76     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <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>     <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>   2.5048e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.5827e-002 </DistanceFromInputUnitCell>
81    </UnitCellCandidate>    </UnitCellCandidate>
82    
83    <UnitCellCandidate number="1003">    <UnitCellCandidate number="1005">
84     <CrystalSystem>     Rhombohedral </CrystalSystem>     <CrystalSystem>     Rhombohedral </CrystalSystem>
85    
86     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <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>     <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>   2.7523e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.6590e-002 </DistanceFromInputUnitCell>
91    </UnitCellCandidate>    </UnitCellCandidate>
92    
93    
94    
95    <!-- Candidates for Tetragonal(I) -->    <!-- Candidates for Tetragonal(I) -->
96    
97    <UnitCellCandidate number="0901">    <UnitCellCandidate number="0904">
98     <CrystalSystem>    Tetragonal(I) </CrystalSystem>     <CrystalSystem>    Tetragonal(I) </CrystalSystem>
99    
100     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <UnitCellParameters>   3.7300e+000   3.7300e+000   5.2672e+000   9.0000e+001   9.0000e+001   9.0000e+001 </UnitCellParameters>
102     <DistanceFromInputUnitCell>   1.5574e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.2480e-002 </DistanceFromInputUnitCell>
103    </UnitCellCandidate>    </UnitCellCandidate>
104    
105    <UnitCellCandidate number="0902">    <UnitCellCandidate number="0904">
106     <CrystalSystem>    Tetragonal(I) </CrystalSystem>     <CrystalSystem>    Tetragonal(I) </CrystalSystem>
107    
108     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <UnitCellParameters>   3.7268e+000   3.7268e+000   5.2764e+000   9.0000e+001   9.0000e+001   9.0000e+001 </UnitCellParameters>
110     <DistanceFromInputUnitCell>   2.3895e-004 </DistanceFromInputUnitCell>     <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>    </UnitCellCandidate>
120    
121    
# Line 118  Line 126 
126    
127    <!-- Candidates for Orthorhombic(F) -->    <!-- Candidates for Orthorhombic(F) -->
128    
129    <UnitCellCandidate number="0701">    <UnitCellCandidate number="0702">
130     <CrystalSystem>  Orthorhombic(F) </CrystalSystem>     <CrystalSystem>  Orthorhombic(F) </CrystalSystem>
131    
132     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <UnitCellParameters>   5.2672e+000   5.2737e+000   5.2764e+000   9.0000e+001   9.0000e+001   9.0000e+001 </UnitCellParameters>
134     <DistanceFromInputUnitCell>   1.5518e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.2457e-002 </DistanceFromInputUnitCell>
135    </UnitCellCandidate>    </UnitCellCandidate>
136    
137    
138    
139    <!-- Candidates for Orthorhombic(I) -->    <!-- Candidates for Orthorhombic(I) -->
140    
141    <UnitCellCandidate number="0601">    <UnitCellCandidate number="0604">
142     <CrystalSystem>  Orthorhombic(I) </CrystalSystem>     <CrystalSystem>  Orthorhombic(I) </CrystalSystem>
143    
144     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <UnitCellParameters>   3.7291e+000   3.7310e+000   5.2672e+000   9.0000e+001   9.0000e+001   9.0000e+001 </UnitCellParameters>
146     <DistanceFromInputUnitCell>   1.5746e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.2548e-002 </DistanceFromInputUnitCell>
147    </UnitCellCandidate>    </UnitCellCandidate>
148    
149    <UnitCellCandidate number="0602">    <UnitCellCandidate number="0604">
150     <CrystalSystem>  Orthorhombic(I) </CrystalSystem>     <CrystalSystem>  Orthorhombic(I) </CrystalSystem>
151    
152     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <UnitCellParameters>   3.7250e+000   3.7286e+000   5.2764e+000   9.0000e+001   9.0000e+001   9.0000e+001 </UnitCellParameters>
154     <DistanceFromInputUnitCell>   2.0759e-004 </DistanceFromInputUnitCell>     <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>    </UnitCellCandidate>
164    
165    
# Line 158  Line 174 
174    
175    <!-- Candidates for Monoclinic(B) -->    <!-- Candidates for Monoclinic(B) -->
176    
177    <UnitCellCandidate number="0305">    <UnitCellCandidate number="03010">
178     <CrystalSystem>    Monoclinic(B) </CrystalSystem>     <CrystalSystem>    Monoclinic(B) </CrystalSystem>
179    
180     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <UnitCellParameters>   6.4506e+000   3.7310e+000   3.7291e+000   9.0000e+001   1.2526e+002   9.0000e+001 </UnitCellParameters>
182     <DistanceFromInputUnitCell>   6.3855e-005 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   7.9909e-003 </DistanceFromInputUnitCell>
183    </UnitCellCandidate>    </UnitCellCandidate>
184    
185    <UnitCellCandidate number="0309">    <UnitCellCandidate number="03010">
186     <CrystalSystem>    Monoclinic(B) </CrystalSystem>     <CrystalSystem>    Monoclinic(B) </CrystalSystem>
187    
188     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <UnitCellParameters>   5.2672e+000   5.2764e+000   3.7250e+000   9.0000e+001   1.3494e+002   9.0000e+001 </UnitCellParameters>
190     <DistanceFromInputUnitCell>   1.0039e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.0019e-002 </DistanceFromInputUnitCell>
191    </UnitCellCandidate>    </UnitCellCandidate>
192    
193    <UnitCellCandidate number="0307">    <UnitCellCandidate number="03010">
194     <CrystalSystem>    Monoclinic(B) </CrystalSystem>     <CrystalSystem>    Monoclinic(B) </CrystalSystem>
195    
196     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <UnitCellParameters>   5.2737e+000   5.2672e+000   3.7291e+000   9.0000e+001   1.3497e+002   9.0000e+001 </UnitCellParameters>
198     <DistanceFromInputUnitCell>   1.5690e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.2526e-002 </DistanceFromInputUnitCell>
199    </UnitCellCandidate>    </UnitCellCandidate>
200    
201    <UnitCellCandidate number="0308">    <UnitCellCandidate number="03010">
202     <CrystalSystem>    Monoclinic(B) </CrystalSystem>     <CrystalSystem>    Monoclinic(B) </CrystalSystem>
203    
204     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <UnitCellParameters>   5.2672e+000   5.2737e+000   3.7269e+000   9.0000e+001   1.3494e+002   9.0000e+001 </UnitCellParameters>
206     <DistanceFromInputUnitCell>   1.6031e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.2661e-002 </DistanceFromInputUnitCell>
207    </UnitCellCandidate>    </UnitCellCandidate>
208    
209    <UnitCellCandidate number="0306">    <UnitCellCandidate number="03010">
210     <CrystalSystem>    Monoclinic(B) </CrystalSystem>     <CrystalSystem>    Monoclinic(B) </CrystalSystem>
211    
212     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <UnitCellParameters>   6.4537e+000   3.7291e+000   3.7310e+000   9.0000e+001   1.2530e+002   9.0000e+001 </UnitCellParameters>
214     <DistanceFromInputUnitCell>   1.6206e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.2730e-002 </DistanceFromInputUnitCell>
215    </UnitCellCandidate>    </UnitCellCandidate>
216    
217    <UnitCellCandidate number="0301">    <UnitCellCandidate number="03010">
218     <CrystalSystem>    Monoclinic(B) </CrystalSystem>     <CrystalSystem>    Monoclinic(B) </CrystalSystem>
219    
220     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <UnitCellParameters>   6.4567e+000   3.7286e+000   3.7250e+000   9.0000e+001   1.2519e+002   9.0000e+001 </UnitCellParameters>
222     <DistanceFromInputUnitCell>   1.8191e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.3487e-002 </DistanceFromInputUnitCell>
223    </UnitCellCandidate>    </UnitCellCandidate>
224    
225    <UnitCellCandidate number="0302">    <UnitCellCandidate number="03010">
226     <CrystalSystem>    Monoclinic(B) </CrystalSystem>     <CrystalSystem>    Monoclinic(B) </CrystalSystem>
227    
228     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <UnitCellParameters>   6.4607e+000   3.7250e+000   3.7286e+000   9.0000e+001   1.2524e+002   9.0000e+001 </UnitCellParameters>
230     <DistanceFromInputUnitCell>   2.0309e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.4251e-002 </DistanceFromInputUnitCell>
231    </UnitCellCandidate>    </UnitCellCandidate>
232    
233    <UnitCellCandidate number="0303">    <UnitCellCandidate number="03010">
234     <CrystalSystem>    Monoclinic(B) </CrystalSystem>     <CrystalSystem>    Monoclinic(B) </CrystalSystem>
235    
236     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <UnitCellParameters>   6.4545e+000   3.7286e+000   3.7269e+000   9.0000e+001   1.2521e+002   9.0000e+001 </UnitCellParameters>
238     <DistanceFromInputUnitCell>   2.2453e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.4984e-002 </DistanceFromInputUnitCell>
239    </UnitCellCandidate>    </UnitCellCandidate>
240    
241    <UnitCellCandidate number="0304">    <UnitCellCandidate number="03010">
242     <CrystalSystem>    Monoclinic(B) </CrystalSystem>     <CrystalSystem>    Monoclinic(B) </CrystalSystem>
243    
244     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- 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>     <UnitCellParameters>   6.4577e+000   3.7269e+000   3.7286e+000   9.0000e+001   1.2525e+002   9.0000e+001 </UnitCellParameters>
246     <DistanceFromInputUnitCell>   2.9314e-004 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   1.7121e-002 </DistanceFromInputUnitCell>
247    </UnitCellCandidate>    </UnitCellCandidate>
248    
249    
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