xcrysden-data 1.5.60-1 / usr / share / xcrysden / examples / WIEN_struct_files / yfe2.struct

This file is indexed.

/usr/share/xcrysden/examples/WIEN_struct_files/yfe2.struct is in xcrysden-data 1.5.60-1.

This file is owned by root:root, with mode 0o644.

The actual contents of the file can be viewed below. 

  1
  2
  3
  4
  5
  6
  7
  8
  9
 10
 11
 12
 13
 14
 15
 16
 17
 18
 19
 20
 21
 22
 23
 24
 25
 26
 27
 28
 29
 30
 31
 32
 33
 34
 35
 36
 37
 38
 39
 40
 41
 42
 43
 44
 45
 46
 47
 48
 49
 50
 51
 52
 53
 54
 55
 56
 57
 58
 59
 60
 61
 62
 63
 64
 65
 66
 67
 68
 69
 70
 71
 72
 73
 74
 75
 76
 77
 78
 79
 80
 81
 82
 83
 84
 85
 86
 87
 88
 89
 90
 91
 92
 93
 94
 95
 96
 97
 98
 99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
YFe2  Laves phase                                      <=                       
F   LATTICE,NONEQUIV. ATOMS  2
MODE OF CALC=RELA
 13.912100 13.912100 13.912100 90.000000 90.000000 90.000000
Atom   1: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 2
Atom   1: X=0.87500000 Y=0.87500000 Z=0.87500000
Y          NPT=  781  R0=0.00050000 RMT=    2.5000   Z: 39.0
                    1.000000000.000000000.00000000
                    0.000000001.000000000.00000000
                    0.000000000.000000001.00000000
Atom  -2: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 4          ISPLIT= 4
Atom  -2: X=0.50000000 Y=0.25000000 Z=0.25000000
Atom  -2: X=0.25000000 Y=0.50000000 Z=0.25000000
Atom  -2: X=0.25000000 Y=0.25000000 Z=0.50000000
Fe         NPT=  781  R0=0.00050000 RMT=    2.4000   Z: 26.0
                    0.40824800-0.707107000.57735000
                    0.408248000.707107000.57735000
                    -0.816497000.000000000.57735000
  48 SYMMETRY OPERATIONS:
 1 0 0 0.0000000
 0 1 0 0.0000000
 0 0 1 0.0000000
       1
 1 0 0 0.7500000
 0 1 0 0.7500000
 0 0-1 0.0000000
       2
 1 0 0 0.0000000
 0 0 1 0.0000000
 0 1 0 0.0000000
       3
 1 0 0 0.7500000
 0 0-1 0.0000000
 0 1 0 0.7500000
       4
 1 0 0 0.7500000
 0 0 1 0.7500000
 0-1 0 0.0000000
       5
 1 0 0 0.0000000
 0 0-1 0.2500000
 0-1 0 0.2500000
       6
 1 0 0 0.7500000
 0-1 0 0.0000000
 0 0 1 0.7500000
       7
 1 0 0 0.0000000
 0-1 0 0.2500000
 0 0-1 0.2500000
       8
 0 1 0 0.0000000
 1 0 0 0.0000000
 0 0 1 0.0000000
       9
 0 1 0 0.7500000
 1 0 0 0.7500000
 0 0-1 0.0000000
      10
 0 0 1 0.0000000
 1 0 0 0.0000000
 0 1 0 0.0000000
      11
 0 0-1 0.0000000
 1 0 0 0.7500000
 0 1 0 0.7500000
      12
 0 0 1 0.7500000
 1 0 0 0.7500000
 0-1 0 0.0000000
      13
 0 0-1 0.2500000
 1 0 0 0.0000000
 0-1 0 0.2500000
      14
 0-1 0 0.0000000
 1 0 0 0.7500000
 0 0 1 0.7500000
      15
 0-1 0 0.2500000
 1 0 0 0.0000000
 0 0-1 0.2500000
      16
 0 1 0 0.0000000
 0 0 1 0.0000000
 1 0 0 0.0000000
      17
 0 1 0 0.7500000
 0 0-1 0.0000000
 1 0 0 0.7500000
      18
 0 0 1 0.0000000
 0 1 0 0.0000000
 1 0 0 0.0000000
      19
 0 0-1 0.0000000
 0 1 0 0.7500000
 1 0 0 0.7500000
      20
 0 0 1 0.7500000
 0-1 0 0.0000000
 1 0 0 0.7500000
      21
 0 0-1 0.2500000
 0-1 0 0.2500000
 1 0 0 0.0000000
      22
 0-1 0 0.0000000
 0 0 1 0.7500000
 1 0 0 0.7500000
      23
 0-1 0 0.2500000
 0 0-1 0.2500000
 1 0 0 0.0000000
      24
 0 1 0 0.7500000
 0 0 1 0.7500000
-1 0 0 0.0000000
      25
 0 1 0 0.0000000
 0 0-1 0.2500000
-1 0 0 0.2500000
      26
 0 0 1 0.7500000
 0 1 0 0.7500000
-1 0 0 0.0000000
      27
 0 0-1 0.2500000
 0 1 0 0.0000000
-1 0 0 0.2500000
      28
 0 0 1 0.0000000
 0-1 0 0.2500000
-1 0 0 0.2500000
      29
 0 0-1 0.0000000
 0-1 0 0.0000000
-1 0 0 0.0000000
      30
 0-1 0 0.2500000
 0 0 1 0.0000000
-1 0 0 0.2500000
      31
 0-1 0 0.0000000
 0 0-1 0.0000000
-1 0 0 0.0000000
      32
 0 1 0 0.7500000
-1 0 0 0.0000000
 0 0 1 0.7500000
      33
 0 1 0 0.0000000
-1 0 0 0.2500000
 0 0-1 0.2500000
      34
 0 0 1 0.7500000
-1 0 0 0.0000000
 0 1 0 0.7500000
      35
 0 0-1 0.2500000
-1 0 0 0.2500000
 0 1 0 0.0000000
      36
 0 0 1 0.0000000
-1 0 0 0.2500000
 0-1 0 0.2500000
      37
 0 0-1 0.0000000
-1 0 0 0.0000000
 0-1 0 0.0000000
      38
 0-1 0 0.2500000
-1 0 0 0.2500000
 0 0 1 0.0000000
      39
 0-1 0 0.0000000
-1 0 0 0.0000000
 0 0-1 0.0000000
      40
-1 0 0 0.0000000
 0 1 0 0.7500000
 0 0 1 0.7500000
      41
-1 0 0 0.2500000
 0 1 0 0.0000000
 0 0-1 0.2500000
      42
-1 0 0 0.0000000
 0 0 1 0.7500000
 0 1 0 0.7500000
      43
-1 0 0 0.2500000
 0 0-1 0.2500000
 0 1 0 0.0000000
      44
-1 0 0 0.2500000
 0 0 1 0.0000000
 0-1 0 0.2500000
      45
-1 0 0 0.0000000
 0 0-1 0.0000000
 0-1 0 0.0000000
      46
-1 0 0 0.2500000
 0-1 0 0.2500000
 0 0 1 0.0000000
      47
-1 0 0 0.0000000
 0-1 0 0.0000000
 0 0-1 0.0000000
      48

APT Browse - Built by Thomas Orozco.