[Ifeffit] calculation using FEFF stop after 4 SCF interactions
valmor
valmor at ifsc.usp.br
Tue Jun 10 14:41:10 CDT 2008
Dear FEFF users,
I´m trying to calculate the XANES spectra of PbZr0.65Ti0.35O3
cubic phase. I obtained the FEFF.inp file from atoms using the
crystallographic data that I founded on the literature.
After starting the FEFF program (FEFF version 8.2), the
calculation stopped after 4 SFC interactions and I could not identify where
is the problem.
>Could anyone help me please to solve this problem? I´m sending my FEFF.inp
>file in attach
>Thank you in advance,
Regards
Valmor
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* This feff8 input file was generated by TkAtoms 3.0beta10
* Atoms written by and copyright (c) Bruce Ravel, 1998-2001
TITLE PZT 6535 cubico
* Ti K edge energy = 4966.0 eV
EDGE K
S02 1.0
* pot xsph fms paths genfmt ff2chi
CONTROL 1 1 1 1 1 1
PRINT 1 0 0 0 0 0
*** ixc=0 means to use Hedin-Lundqvist
* ixc [ Vr Vi ]
EXCHANGE 0
*** Radius of small cluster for
*** self-consistency calculation
*** A sphere including 2 shells is
*** a good choice
*** l_scf = 0 for a solid, 1 for a molecule
* r_scf [ l_scf n_scf ca ]
SCF 4.0
*** Upper limit of XANES calculation.
*** This *must* be uncommented to
*** make Feff calculate full multiple
*** scattering rather than a path expansion
* kmax [ delta_k delta_e ]
XANES 4.0
*** Radius of cluster for Full Multiple
*** Scattering calculation
*** l_fms = 0 for a solid, 1 for a molecule
* r_fms l_fms
FMS 0.00001 0
*** Energy grid over which to calculate
*** DOS functions
* emin emax eimag
*LDOS -30 20 0.1
*** for EXAFS: RMAX 10.0 and uncomment
*** the EXAFS card
RPATH 0.1
*EXAFS 20
POTENTIALS
* ipot Z element l_scmt l_fms stoichiometry
0 22 Ti 2 2 0.001
1 82 Pb 3 3 1
2 22 Ti 2 2 1
3 8 O 1 1 3
ATOMS * this list contains 693 atoms
* x y z ipot tag distance
0.00000 0.00000 0.00000 0 Ti 0.00000 0
2.05300 0.00000 0.00000 3 O 2.05300 1
-2.05300 0.00000 0.00000 3 O 2.05300 2
0.00000 2.05300 0.00000 3 O 2.05300 3
0.00000 -2.05300 0.00000 3 O 2.05300 4
0.00000 0.00000 2.05300 3 O 2.05300 5
0.00000 0.00000 -2.05300 3 O 2.05300 6
1.34677 1.34677 1.34677 1 Pb 2.33267 7
-1.34677 1.34677 1.34677 1 Pb 2.33267 8
1.34677 -1.34677 1.34677 1 Pb 2.33267 9
-1.34677 -1.34677 1.34677 1 Pb 2.33267 10
1.34677 1.34677 -1.34677 1 Pb 2.33267 11
-1.34677 1.34677 -1.34677 1 Pb 2.33267 12
1.34677 -1.34677 -1.34677 1 Pb 2.33267 13
-1.34677 -1.34677 -1.34677 1 Pb 2.33267 14
2.75923 1.34677 1.34677 1 Pb 3.35275 15
-2.75923 1.34677 1.34677 1 Pb 3.35275 16
1.34677 2.75923 1.34677 1 Pb 3.35275 17
-1.34677 2.75923 1.34677 1 Pb 3.35275 18
2.75923 -1.34677 1.34677 1 Pb 3.35275 19
-2.75923 -1.34677 1.34677 1 Pb 3.35275 20
1.34677 -2.75923 1.34677 1 Pb 3.35275 21
-1.34677 -2.75923 1.34677 1 Pb 3.35275 22
1.34677 1.34677 2.75923 1 Pb 3.35275 23
-1.34677 1.34677 2.75923 1 Pb 3.35275 24
1.34677 -1.34677 2.75923 1 Pb 3.35275 25
-1.34677 -1.34677 2.75923 1 Pb 3.35275 26
2.75923 1.34677 -1.34677 1 Pb 3.35275 27
-2.75923 1.34677 -1.34677 1 Pb 3.35275 28
1.34677 2.75923 -1.34677 1 Pb 3.35275 29
-1.34677 2.75923 -1.34677 1 Pb 3.35275 30
2.75923 -1.34677 -1.34677 1 Pb 3.35275 31
-2.75923 -1.34677 -1.34677 1 Pb 3.35275 32
1.34677 -2.75923 -1.34677 1 Pb 3.35275 33
-1.34677 -2.75923 -1.34677 1 Pb 3.35275 34
1.34677 1.34677 -2.75923 1 Pb 3.35275 35
-1.34677 1.34677 -2.75923 1 Pb 3.35275 36
1.34677 -1.34677 -2.75923 1 Pb 3.35275 37
-1.34677 -1.34677 -2.75923 1 Pb 3.35275 38
4.10600 0.00000 0.00000 2 Ti 4.10600 39
-4.10600 0.00000 0.00000 2 Ti 4.10600 40
0.00000 4.10600 0.00000 2 Ti 4.10600 41
0.00000 -4.10600 0.00000 2 Ti 4.10600 42
0.00000 0.00000 4.10600 2 Ti 4.10600 43
0.00000 0.00000 -4.10600 2 Ti 4.10600 44
2.75923 2.75923 1.34677 1 Pb 4.12801 45
-2.75923 2.75923 1.34677 1 Pb 4.12801 46
2.75923 -2.75923 1.34677 1 Pb 4.12801 47
-2.75923 -2.75923 1.34677 1 Pb 4.12801 48
2.75923 1.34677 2.75923 1 Pb 4.12801 49
-2.75923 1.34677 2.75923 1 Pb 4.12801 50
1.34677 2.75923 2.75923 1 Pb 4.12801 51
-1.34677 2.75923 2.75923 1 Pb 4.12801 52
2.75923 -1.34677 2.75923 1 Pb 4.12801 53
-2.75923 -1.34677 2.75923 1 Pb 4.12801 54
1.34677 -2.75923 2.75923 1 Pb 4.12801 55
-1.34677 -2.75923 2.75923 1 Pb 4.12801 56
2.75923 2.75923 -1.34677 1 Pb 4.12801 57
-2.75923 2.75923 -1.34677 1 Pb 4.12801 58
2.75923 -2.75923 -1.34677 1 Pb 4.12801 59
-2.75923 -2.75923 -1.34677 1 Pb 4.12801 60
2.75923 1.34677 -2.75923 1 Pb 4.12801 61
-2.75923 1.34677 -2.75923 1 Pb 4.12801 62
1.34677 2.75923 -2.75923 1 Pb 4.12801 63
-1.34677 2.75923 -2.75923 1 Pb 4.12801 64
2.75923 -1.34677 -2.75923 1 Pb 4.12801 65
-2.75923 -1.34677 -2.75923 1 Pb 4.12801 66
1.34677 -2.75923 -2.75923 1 Pb 4.12801 67
-1.34677 -2.75923 -2.75923 1 Pb 4.12801 68
4.10600 2.05300 0.00000 3 O 4.59065 69
-4.10600 2.05300 0.00000 3 O 4.59065 70
2.05300 4.10600 0.00000 3 O 4.59065 71
-2.05300 4.10600 0.00000 3 O 4.59065 72
4.10600 -2.05300 0.00000 3 O 4.59065 73
-4.10600 -2.05300 0.00000 3 O 4.59065 74
2.05300 -4.10600 0.00000 3 O 4.59065 75
-2.05300 -4.10600 0.00000 3 O 4.59065 76
4.10600 0.00000 2.05300 3 O 4.59065 77
-4.10600 0.00000 2.05300 3 O 4.59065 78
0.00000 4.10600 2.05300 3 O 4.59065 79
0.00000 -4.10600 2.05300 3 O 4.59065 80
2.05300 0.00000 4.10600 3 O 4.59065 81
-2.05300 0.00000 4.10600 3 O 4.59065 82
0.00000 2.05300 4.10600 3 O 4.59065 83
0.00000 -2.05300 4.10600 3 O 4.59065 84
4.10600 0.00000 -2.05300 3 O 4.59065 85
-4.10600 0.00000 -2.05300 3 O 4.59065 86
0.00000 4.10600 -2.05300 3 O 4.59065 87
0.00000 -4.10600 -2.05300 3 O 4.59065 88
2.05300 0.00000 -4.10600 3 O 4.59065 89
-2.05300 0.00000 -4.10600 3 O 4.59065 90
0.00000 2.05300 -4.10600 3 O 4.59065 91
0.00000 -2.05300 -4.10600 3 O 4.59065 92
2.75923 2.75923 2.75923 1 Pb 4.77913 93
-2.75923 2.75923 2.75923 1 Pb 4.77913 94
2.75923 -2.75923 2.75923 1 Pb 4.77913 95
-2.75923 -2.75923 2.75923 1 Pb 4.77913 96
2.75923 2.75923 -2.75923 1 Pb 4.77913 97
-2.75923 2.75923 -2.75923 1 Pb 4.77913 98
2.75923 -2.75923 -2.75923 1 Pb 4.77913 99
-2.75923 -2.75923 -2.75923 1 Pb 4.77913 100
5.45277 1.34677 1.34677 1 Pb 5.77584 101
-5.45277 1.34677 1.34677 1 Pb 5.77584 102
1.34677 5.45277 1.34677 1 Pb 5.77584 103
-1.34677 5.45277 1.34677 1 Pb 5.77584 104
5.45277 -1.34677 1.34677 1 Pb 5.77584 105
-5.45277 -1.34677 1.34677 1 Pb 5.77584 106
1.34677 -5.45277 1.34677 1 Pb 5.77584 107
-1.34677 -5.45277 1.34677 1 Pb 5.77584 108
1.34677 1.34677 5.45277 1 Pb 5.77584 109
-1.34677 1.34677 5.45277 1 Pb 5.77584 110
1.34677 -1.34677 5.45277 1 Pb 5.77584 111
-1.34677 -1.34677 5.45277 1 Pb 5.77584 112
5.45277 1.34677 -1.34677 1 Pb 5.77584 113
-5.45277 1.34677 -1.34677 1 Pb 5.77584 114
1.34677 5.45277 -1.34677 1 Pb 5.77584 115
-1.34677 5.45277 -1.34677 1 Pb 5.77584 116
5.45277 -1.34677 -1.34677 1 Pb 5.77584 117
-5.45277 -1.34677 -1.34677 1 Pb 5.77584 118
1.34677 -5.45277 -1.34677 1 Pb 5.77584 119
-1.34677 -5.45277 -1.34677 1 Pb 5.77584 120
1.34677 1.34677 -5.45277 1 Pb 5.77584 121
-1.34677 1.34677 -5.45277 1 Pb 5.77584 122
1.34677 -1.34677 -5.45277 1 Pb 5.77584 123
-1.34677 -1.34677 -5.45277 1 Pb 5.77584 124
4.10600 4.10600 0.00000 2 Ti 5.80676 125
-4.10600 4.10600 0.00000 2 Ti 5.80676 126
4.10600 -4.10600 0.00000 2 Ti 5.80676 127
-4.10600 -4.10600 0.00000 2 Ti 5.80676 128
4.10600 0.00000 4.10600 2 Ti 5.80676 129
-4.10600 0.00000 4.10600 2 Ti 5.80676 130
0.00000 4.10600 4.10600 2 Ti 5.80676 131
0.00000 -4.10600 4.10600 2 Ti 5.80676 132
4.10600 0.00000 -4.10600 2 Ti 5.80676 133
-4.10600 0.00000 -4.10600 2 Ti 5.80676 134
0.00000 4.10600 -4.10600 2 Ti 5.80676 135
0.00000 -4.10600 -4.10600 2 Ti 5.80676 136
6.15900 0.00000 0.00000 3 O 6.15900 137
-6.15900 0.00000 0.00000 3 O 6.15900 138
0.00000 6.15900 0.00000 3 O 6.15900 139
0.00000 -6.15900 0.00000 3 O 6.15900 140
4.10600 4.10600 2.05300 3 O 6.15900 141
-4.10600 4.10600 2.05300 3 O 6.15900 142
4.10600 -4.10600 2.05300 3 O 6.15900 143
-4.10600 -4.10600 2.05300 3 O 6.15900 144
4.10600 2.05300 4.10600 3 O 6.15900 145
-4.10600 2.05300 4.10600 3 O 6.15900 146
2.05300 4.10600 4.10600 3 O 6.15900 147
-2.05300 4.10600 4.10600 3 O 6.15900 148
4.10600 -2.05300 4.10600 3 O 6.15900 149
-4.10600 -2.05300 4.10600 3 O 6.15900 150
2.05300 -4.10600 4.10600 3 O 6.15900 151
-2.05300 -4.10600 4.10600 3 O 6.15900 152
0.00000 0.00000 6.15900 3 O 6.15900 153
4.10600 4.10600 -2.05300 3 O 6.15900 154
-4.10600 4.10600 -2.05300 3 O 6.15900 155
4.10600 -4.10600 -2.05300 3 O 6.15900 156
-4.10600 -4.10600 -2.05300 3 O 6.15900 157
4.10600 2.05300 -4.10600 3 O 6.15900 158
-4.10600 2.05300 -4.10600 3 O 6.15900 159
2.05300 4.10600 -4.10600 3 O 6.15900 160
-2.05300 4.10600 -4.10600 3 O 6.15900 161
4.10600 -2.05300 -4.10600 3 O 6.15900 162
-4.10600 -2.05300 -4.10600 3 O 6.15900 163
2.05300 -4.10600 -4.10600 3 O 6.15900 164
-2.05300 -4.10600 -4.10600 3 O 6.15900 165
0.00000 0.00000 -6.15900 3 O 6.15900 166
5.45277 2.75923 1.34677 1 Pb 6.25778 167
-5.45277 2.75923 1.34677 1 Pb 6.25778 168
2.75923 5.45277 1.34677 1 Pb 6.25778 169
-2.75923 5.45277 1.34677 1 Pb 6.25778 170
5.45277 -2.75923 1.34677 1 Pb 6.25778 171
-5.45277 -2.75923 1.34677 1 Pb 6.25778 172
2.75923 -5.45277 1.34677 1 Pb 6.25778 173
-2.75923 -5.45277 1.34677 1 Pb 6.25778 174
5.45277 1.34677 2.75923 1 Pb 6.25778 175
-5.45277 1.34677 2.75923 1 Pb 6.25778 176
1.34677 5.45277 2.75923 1 Pb 6.25778 177
-1.34677 5.45277 2.75923 1 Pb 6.25778 178
5.45277 -1.34677 2.75923 1 Pb 6.25778 179
-5.45277 -1.34677 2.75923 1 Pb 6.25778 180
1.34677 -5.45277 2.75923 1 Pb 6.25778 181
-1.34677 -5.45277 2.75923 1 Pb 6.25778 182
2.75923 1.34677 5.45277 1 Pb 6.25778 183
-2.75923 1.34677 5.45277 1 Pb 6.25778 184
1.34677 2.75923 5.45277 1 Pb 6.25778 185
-1.34677 2.75923 5.45277 1 Pb 6.25778 186
2.75923 -1.34677 5.45277 1 Pb 6.25778 187
-2.75923 -1.34677 5.45277 1 Pb 6.25778 188
1.34677 -2.75923 5.45277 1 Pb 6.25778 189
-1.34677 -2.75923 5.45277 1 Pb 6.25778 190
5.45277 2.75923 -1.34677 1 Pb 6.25778 191
-5.45277 2.75923 -1.34677 1 Pb 6.25778 192
2.75923 5.45277 -1.34677 1 Pb 6.25778 193
-2.75923 5.45277 -1.34677 1 Pb 6.25778 194
5.45277 -2.75923 -1.34677 1 Pb 6.25778 195
-5.45277 -2.75923 -1.34677 1 Pb 6.25778 196
2.75923 -5.45277 -1.34677 1 Pb 6.25778 197
-2.75923 -5.45277 -1.34677 1 Pb 6.25778 198
5.45277 1.34677 -2.75923 1 Pb 6.25778 199
-5.45277 1.34677 -2.75923 1 Pb 6.25778 200
1.34677 5.45277 -2.75923 1 Pb 6.25778 201
-1.34677 5.45277 -2.75923 1 Pb 6.25778 202
5.45277 -1.34677 -2.75923 1 Pb 6.25778 203
-5.45277 -1.34677 -2.75923 1 Pb 6.25778 204
1.34677 -5.45277 -2.75923 1 Pb 6.25778 205
-1.34677 -5.45277 -2.75923 1 Pb 6.25778 206
2.75923 1.34677 -5.45277 1 Pb 6.25778 207
-2.75923 1.34677 -5.45277 1 Pb 6.25778 208
1.34677 2.75923 -5.45277 1 Pb 6.25778 209
-1.34677 2.75923 -5.45277 1 Pb 6.25778 210
2.75923 -1.34677 -5.45277 1 Pb 6.25778 211
-2.75923 -1.34677 -5.45277 1 Pb 6.25778 212
1.34677 -2.75923 -5.45277 1 Pb 6.25778 213
-1.34677 -2.75923 -5.45277 1 Pb 6.25778 214
5.45277 2.75923 2.75923 1 Pb 6.70518 215
-5.45277 2.75923 2.75923 1 Pb 6.70518 216
2.75923 5.45277 2.75923 1 Pb 6.70518 217
-2.75923 5.45277 2.75923 1 Pb 6.70518 218
5.45277 -2.75923 2.75923 1 Pb 6.70518 219
-5.45277 -2.75923 2.75923 1 Pb 6.70518 220
2.75923 -5.45277 2.75923 1 Pb 6.70518 221
-2.75923 -5.45277 2.75923 1 Pb 6.70518 222
2.75923 2.75923 5.45277 1 Pb 6.70518 223
-2.75923 2.75923 5.45277 1 Pb 6.70518 224
2.75923 -2.75923 5.45277 1 Pb 6.70518 225
-2.75923 -2.75923 5.45277 1 Pb 6.70518 226
5.45277 2.75923 -2.75923 1 Pb 6.70518 227
-5.45277 2.75923 -2.75923 1 Pb 6.70518 228
2.75923 5.45277 -2.75923 1 Pb 6.70518 229
-2.75923 5.45277 -2.75923 1 Pb 6.70518 230
5.45277 -2.75923 -2.75923 1 Pb 6.70518 231
-5.45277 -2.75923 -2.75923 1 Pb 6.70518 232
2.75923 -5.45277 -2.75923 1 Pb 6.70518 233
-2.75923 -5.45277 -2.75923 1 Pb 6.70518 234
2.75923 2.75923 -5.45277 1 Pb 6.70518 235
-2.75923 2.75923 -5.45277 1 Pb 6.70518 236
2.75923 -2.75923 -5.45277 1 Pb 6.70518 237
-2.75923 -2.75923 -5.45277 1 Pb 6.70518 238
4.10600 4.10600 4.10600 2 Ti 7.11180 239
-4.10600 4.10600 4.10600 2 Ti 7.11180 240
4.10600 -4.10600 4.10600 2 Ti 7.11180 241
-4.10600 -4.10600 4.10600 2 Ti 7.11180 242
4.10600 4.10600 -4.10600 2 Ti 7.11180 243
-4.10600 4.10600 -4.10600 2 Ti 7.11180 244
4.10600 -4.10600 -4.10600 2 Ti 7.11180 245
-4.10600 -4.10600 -4.10600 2 Ti 7.11180 246
6.86523 1.34677 1.34677 1 Pb 7.12453 247
-6.86523 1.34677 1.34677 1 Pb 7.12453 248
1.34677 6.86523 1.34677 1 Pb 7.12453 249
-1.34677 6.86523 1.34677 1 Pb 7.12453 250
6.86523 -1.34677 1.34677 1 Pb 7.12453 251
-6.86523 -1.34677 1.34677 1 Pb 7.12453 252
1.34677 -6.86523 1.34677 1 Pb 7.12453 253
-1.34677 -6.86523 1.34677 1 Pb 7.12453 254
1.34677 1.34677 6.86523 1 Pb 7.12453 255
-1.34677 1.34677 6.86523 1 Pb 7.12453 256
1.34677 -1.34677 6.86523 1 Pb 7.12453 257
-1.34677 -1.34677 6.86523 1 Pb 7.12453 258
6.86523 1.34677 -1.34677 1 Pb 7.12453 259
-6.86523 1.34677 -1.34677 1 Pb 7.12453 260
1.34677 6.86523 -1.34677 1 Pb 7.12453 261
-1.34677 6.86523 -1.34677 1 Pb 7.12453 262
6.86523 -1.34677 -1.34677 1 Pb 7.12453 263
-6.86523 -1.34677 -1.34677 1 Pb 7.12453 264
1.34677 -6.86523 -1.34677 1 Pb 7.12453 265
-1.34677 -6.86523 -1.34677 1 Pb 7.12453 266
1.34677 1.34677 -6.86523 1 Pb 7.12453 267
-1.34677 1.34677 -6.86523 1 Pb 7.12453 268
1.34677 -1.34677 -6.86523 1 Pb 7.12453 269
-1.34677 -1.34677 -6.86523 1 Pb 7.12453 270
6.15900 4.10600 0.00000 3 O 7.40220 271
-6.15900 4.10600 0.00000 3 O 7.40220 272
4.10600 6.15900 0.00000 3 O 7.40220 273
-4.10600 6.15900 0.00000 3 O 7.40220 274
6.15900 -4.10600 0.00000 3 O 7.40220 275
-6.15900 -4.10600 0.00000 3 O 7.40220 276
4.10600 -6.15900 0.00000 3 O 7.40220 277
-4.10600 -6.15900 0.00000 3 O 7.40220 278
6.15900 0.00000 4.10600 3 O 7.40220 279
-6.15900 0.00000 4.10600 3 O 7.40220 280
0.00000 6.15900 4.10600 3 O 7.40220 281
0.00000 -6.15900 4.10600 3 O 7.40220 282
4.10600 0.00000 6.15900 3 O 7.40220 283
-4.10600 0.00000 6.15900 3 O 7.40220 284
0.00000 4.10600 6.15900 3 O 7.40220 285
0.00000 -4.10600 6.15900 3 O 7.40220 286
6.15900 0.00000 -4.10600 3 O 7.40220 287
-6.15900 0.00000 -4.10600 3 O 7.40220 288
0.00000 6.15900 -4.10600 3 O 7.40220 289
0.00000 -6.15900 -4.10600 3 O 7.40220 290
4.10600 0.00000 -6.15900 3 O 7.40220 291
-4.10600 0.00000 -6.15900 3 O 7.40220 292
0.00000 4.10600 -6.15900 3 O 7.40220 293
0.00000 -4.10600 -6.15900 3 O 7.40220 294
6.86523 2.75923 1.34677 1 Pb 7.52054 295
-6.86523 2.75923 1.34677 1 Pb 7.52054 296
2.75923 6.86523 1.34677 1 Pb 7.52054 297
-2.75923 6.86523 1.34677 1 Pb 7.52054 298
6.86523 -2.75923 1.34677 1 Pb 7.52054 299
-6.86523 -2.75923 1.34677 1 Pb 7.52054 300
2.75923 -6.86523 1.34677 1 Pb 7.52054 301
-2.75923 -6.86523 1.34677 1 Pb 7.52054 302
6.86523 1.34677 2.75923 1 Pb 7.52054 303
-6.86523 1.34677 2.75923 1 Pb 7.52054 304
1.34677 6.86523 2.75923 1 Pb 7.52054 305
-1.34677 6.86523 2.75923 1 Pb 7.52054 306
6.86523 -1.34677 2.75923 1 Pb 7.52054 307
-6.86523 -1.34677 2.75923 1 Pb 7.52054 308
1.34677 -6.86523 2.75923 1 Pb 7.52054 309
-1.34677 -6.86523 2.75923 1 Pb 7.52054 310
2.75923 1.34677 6.86523 1 Pb 7.52054 311
-2.75923 1.34677 6.86523 1 Pb 7.52054 312
1.34677 2.75923 6.86523 1 Pb 7.52054 313
-1.34677 2.75923 6.86523 1 Pb 7.52054 314
2.75923 -1.34677 6.86523 1 Pb 7.52054 315
-2.75923 -1.34677 6.86523 1 Pb 7.52054 316
1.34677 -2.75923 6.86523 1 Pb 7.52054 317
-1.34677 -2.75923 6.86523 1 Pb 7.52054 318
6.86523 2.75923 -1.34677 1 Pb 7.52054 319
-6.86523 2.75923 -1.34677 1 Pb 7.52054 320
2.75923 6.86523 -1.34677 1 Pb 7.52054 321
-2.75923 6.86523 -1.34677 1 Pb 7.52054 322
6.86523 -2.75923 -1.34677 1 Pb 7.52054 323
-6.86523 -2.75923 -1.34677 1 Pb 7.52054 324
2.75923 -6.86523 -1.34677 1 Pb 7.52054 325
-2.75923 -6.86523 -1.34677 1 Pb 7.52054 326
6.86523 1.34677 -2.75923 1 Pb 7.52054 327
-6.86523 1.34677 -2.75923 1 Pb 7.52054 328
1.34677 6.86523 -2.75923 1 Pb 7.52054 329
-1.34677 6.86523 -2.75923 1 Pb 7.52054 330
6.86523 -1.34677 -2.75923 1 Pb 7.52054 331
-6.86523 -1.34677 -2.75923 1 Pb 7.52054 332
1.34677 -6.86523 -2.75923 1 Pb 7.52054 333
-1.34677 -6.86523 -2.75923 1 Pb 7.52054 334
2.75923 1.34677 -6.86523 1 Pb 7.52054 335
-2.75923 1.34677 -6.86523 1 Pb 7.52054 336
1.34677 2.75923 -6.86523 1 Pb 7.52054 337
-1.34677 2.75923 -6.86523 1 Pb 7.52054 338
2.75923 -1.34677 -6.86523 1 Pb 7.52054 339
-2.75923 -1.34677 -6.86523 1 Pb 7.52054 340
1.34677 -2.75923 -6.86523 1 Pb 7.52054 341
-1.34677 -2.75923 -6.86523 1 Pb 7.52054 342
5.45277 5.45277 1.34677 1 Pb 7.82810 343
-5.45277 5.45277 1.34677 1 Pb 7.82810 344
5.45277 -5.45277 1.34677 1 Pb 7.82810 345
-5.45277 -5.45277 1.34677 1 Pb 7.82810 346
5.45277 1.34677 5.45277 1 Pb 7.82810 347
-5.45277 1.34677 5.45277 1 Pb 7.82810 348
1.34677 5.45277 5.45277 1 Pb 7.82810 349
-1.34677 5.45277 5.45277 1 Pb 7.82810 350
5.45277 -1.34677 5.45277 1 Pb 7.82810 351
-5.45277 -1.34677 5.45277 1 Pb 7.82810 352
1.34677 -5.45277 5.45277 1 Pb 7.82810 353
-1.34677 -5.45277 5.45277 1 Pb 7.82810 354
5.45277 5.45277 -1.34677 1 Pb 7.82810 355
-5.45277 5.45277 -1.34677 1 Pb 7.82810 356
5.45277 -5.45277 -1.34677 1 Pb 7.82810 357
-5.45277 -5.45277 -1.34677 1 Pb 7.82810 358
5.45277 1.34677 -5.45277 1 Pb 7.82810 359
-5.45277 1.34677 -5.45277 1 Pb 7.82810 360
1.34677 5.45277 -5.45277 1 Pb 7.82810 361
-1.34677 5.45277 -5.45277 1 Pb 7.82810 362
5.45277 -1.34677 -5.45277 1 Pb 7.82810 363
-5.45277 -1.34677 -5.45277 1 Pb 7.82810 364
1.34677 -5.45277 -5.45277 1 Pb 7.82810 365
-1.34677 -5.45277 -5.45277 1 Pb 7.82810 366
6.86523 2.75923 2.75923 1 Pb 7.89671 367
-6.86523 2.75923 2.75923 1 Pb 7.89671 368
2.75923 6.86523 2.75923 1 Pb 7.89671 369
-2.75923 6.86523 2.75923 1 Pb 7.89671 370
6.86523 -2.75923 2.75923 1 Pb 7.89671 371
-6.86523 -2.75923 2.75923 1 Pb 7.89671 372
2.75923 -6.86523 2.75923 1 Pb 7.89671 373
-2.75923 -6.86523 2.75923 1 Pb 7.89671 374
2.75923 2.75923 6.86523 1 Pb 7.89671 375
-2.75923 2.75923 6.86523 1 Pb 7.89671 376
2.75923 -2.75923 6.86523 1 Pb 7.89671 377
-2.75923 -2.75923 6.86523 1 Pb 7.89671 378
6.86523 2.75923 -2.75923 1 Pb 7.89671 379
-6.86523 2.75923 -2.75923 1 Pb 7.89671 380
2.75923 6.86523 -2.75923 1 Pb 7.89671 381
-2.75923 6.86523 -2.75923 1 Pb 7.89671 382
6.86523 -2.75923 -2.75923 1 Pb 7.89671 383
-6.86523 -2.75923 -2.75923 1 Pb 7.89671 384
2.75923 -6.86523 -2.75923 1 Pb 7.89671 385
-2.75923 -6.86523 -2.75923 1 Pb 7.89671 386
2.75923 2.75923 -6.86523 1 Pb 7.89671 387
-2.75923 2.75923 -6.86523 1 Pb 7.89671 388
2.75923 -2.75923 -6.86523 1 Pb 7.89671 389
-2.75923 -2.75923 -6.86523 1 Pb 7.89671 390
5.45277 5.45277 2.75923 1 Pb 8.19016 391
-5.45277 5.45277 2.75923 1 Pb 8.19016 392
5.45277 -5.45277 2.75923 1 Pb 8.19016 393
-5.45277 -5.45277 2.75923 1 Pb 8.19016 394
5.45277 2.75923 5.45277 1 Pb 8.19016 395
-5.45277 2.75923 5.45277 1 Pb 8.19016 396
2.75923 5.45277 5.45277 1 Pb 8.19016 397
-2.75923 5.45277 5.45277 1 Pb 8.19016 398
5.45277 -2.75923 5.45277 1 Pb 8.19016 399
-5.45277 -2.75923 5.45277 1 Pb 8.19016 400
2.75923 -5.45277 5.45277 1 Pb 8.19016 401
-2.75923 -5.45277 5.45277 1 Pb 8.19016 402
5.45277 5.45277 -2.75923 1 Pb 8.19016 403
-5.45277 5.45277 -2.75923 1 Pb 8.19016 404
5.45277 -5.45277 -2.75923 1 Pb 8.19016 405
-5.45277 -5.45277 -2.75923 1 Pb 8.19016 406
5.45277 2.75923 -5.45277 1 Pb 8.19016 407
-5.45277 2.75923 -5.45277 1 Pb 8.19016 408
2.75923 5.45277 -5.45277 1 Pb 8.19016 409
-2.75923 5.45277 -5.45277 1 Pb 8.19016 410
5.45277 -2.75923 -5.45277 1 Pb 8.19016 411
-5.45277 -2.75923 -5.45277 1 Pb 8.19016 412
2.75923 -5.45277 -5.45277 1 Pb 8.19016 413
-2.75923 -5.45277 -5.45277 1 Pb 8.19016 414
8.21200 0.00000 0.00000 2 Ti 8.21200 415
-8.21200 0.00000 0.00000 2 Ti 8.21200 416
0.00000 8.21200 0.00000 2 Ti 8.21200 417
0.00000 -8.21200 0.00000 2 Ti 8.21200 418
0.00000 0.00000 8.21200 2 Ti 8.21200 419
0.00000 0.00000 -8.21200 2 Ti 8.21200 420
8.21200 2.05300 0.00000 3 O 8.46474 421
-8.21200 2.05300 0.00000 3 O 8.46474 422
2.05300 8.21200 0.00000 3 O 8.46474 423
-2.05300 8.21200 0.00000 3 O 8.46474 424
8.21200 -2.05300 0.00000 3 O 8.46474 425
-8.21200 -2.05300 0.00000 3 O 8.46474 426
2.05300 -8.21200 0.00000 3 O 8.46474 427
-2.05300 -8.21200 0.00000 3 O 8.46474 428
8.21200 0.00000 2.05300 3 O 8.46474 429
-8.21200 0.00000 2.05300 3 O 8.46474 430
0.00000 8.21200 2.05300 3 O 8.46474 431
0.00000 -8.21200 2.05300 3 O 8.46474 432
6.15900 4.10600 4.10600 3 O 8.46474 433
-6.15900 4.10600 4.10600 3 O 8.46474 434
4.10600 6.15900 4.10600 3 O 8.46474 435
-4.10600 6.15900 4.10600 3 O 8.46474 436
6.15900 -4.10600 4.10600 3 O 8.46474 437
-6.15900 -4.10600 4.10600 3 O 8.46474 438
4.10600 -6.15900 4.10600 3 O 8.46474 439
-4.10600 -6.15900 4.10600 3 O 8.46474 440
4.10600 4.10600 6.15900 3 O 8.46474 441
-4.10600 4.10600 6.15900 3 O 8.46474 442
4.10600 -4.10600 6.15900 3 O 8.46474 443
-4.10600 -4.10600 6.15900 3 O 8.46474 444
2.05300 0.00000 8.21200 3 O 8.46474 445
-2.05300 0.00000 8.21200 3 O 8.46474 446
0.00000 2.05300 8.21200 3 O 8.46474 447
0.00000 -2.05300 8.21200 3 O 8.46474 448
8.21200 0.00000 -2.05300 3 O 8.46474 449
-8.21200 0.00000 -2.05300 3 O 8.46474 450
0.00000 8.21200 -2.05300 3 O 8.46474 451
0.00000 -8.21200 -2.05300 3 O 8.46474 452
6.15900 4.10600 -4.10600 3 O 8.46474 453
-6.15900 4.10600 -4.10600 3 O 8.46474 454
4.10600 6.15900 -4.10600 3 O 8.46474 455
-4.10600 6.15900 -4.10600 3 O 8.46474 456
6.15900 -4.10600 -4.10600 3 O 8.46474 457
-6.15900 -4.10600 -4.10600 3 O 8.46474 458
4.10600 -6.15900 -4.10600 3 O 8.46474 459
-4.10600 -6.15900 -4.10600 3 O 8.46474 460
4.10600 4.10600 -6.15900 3 O 8.46474 461
-4.10600 4.10600 -6.15900 3 O 8.46474 462
4.10600 -4.10600 -6.15900 3 O 8.46474 463
-4.10600 -4.10600 -6.15900 3 O 8.46474 464
2.05300 0.00000 -8.21200 3 O 8.46474 465
-2.05300 0.00000 -8.21200 3 O 8.46474 466
0.00000 2.05300 -8.21200 3 O 8.46474 467
0.00000 -2.05300 -8.21200 3 O 8.46474 468
6.86523 5.45277 1.34677 1 Pb 8.87005 469
-6.86523 5.45277 1.34677 1 Pb 8.87005 470
5.45277 6.86523 1.34677 1 Pb 8.87005 471
-5.45277 6.86523 1.34677 1 Pb 8.87005 472
6.86523 -5.45277 1.34677 1 Pb 8.87005 473
-6.86523 -5.45277 1.34677 1 Pb 8.87005 474
5.45277 -6.86523 1.34677 1 Pb 8.87005 475
-5.45277 -6.86523 1.34677 1 Pb 8.87005 476
6.86523 1.34677 5.45277 1 Pb 8.87005 477
-6.86523 1.34677 5.45277 1 Pb 8.87005 478
1.34677 6.86523 5.45277 1 Pb 8.87005 479
-1.34677 6.86523 5.45277 1 Pb 8.87005 480
6.86523 -1.34677 5.45277 1 Pb 8.87005 481
-6.86523 -1.34677 5.45277 1 Pb 8.87005 482
1.34677 -6.86523 5.45277 1 Pb 8.87005 483
-1.34677 -6.86523 5.45277 1 Pb 8.87005 484
5.45277 1.34677 6.86523 1 Pb 8.87005 485
-5.45277 1.34677 6.86523 1 Pb 8.87005 486
1.34677 5.45277 6.86523 1 Pb 8.87005 487
-1.34677 5.45277 6.86523 1 Pb 8.87005 488
5.45277 -1.34677 6.86523 1 Pb 8.87005 489
-5.45277 -1.34677 6.86523 1 Pb 8.87005 490
1.34677 -5.45277 6.86523 1 Pb 8.87005 491
-1.34677 -5.45277 6.86523 1 Pb 8.87005 492
6.86523 5.45277 -1.34677 1 Pb 8.87005 493
-6.86523 5.45277 -1.34677 1 Pb 8.87005 494
5.45277 6.86523 -1.34677 1 Pb 8.87005 495
-5.45277 6.86523 -1.34677 1 Pb 8.87005 496
6.86523 -5.45277 -1.34677 1 Pb 8.87005 497
-6.86523 -5.45277 -1.34677 1 Pb 8.87005 498
5.45277 -6.86523 -1.34677 1 Pb 8.87005 499
-5.45277 -6.86523 -1.34677 1 Pb 8.87005 500
6.86523 1.34677 -5.45277 1 Pb 8.87005 501
-6.86523 1.34677 -5.45277 1 Pb 8.87005 502
1.34677 6.86523 -5.45277 1 Pb 8.87005 503
-1.34677 6.86523 -5.45277 1 Pb 8.87005 504
6.86523 -1.34677 -5.45277 1 Pb 8.87005 505
-6.86523 -1.34677 -5.45277 1 Pb 8.87005 506
1.34677 -6.86523 -5.45277 1 Pb 8.87005 507
-1.34677 -6.86523 -5.45277 1 Pb 8.87005 508
5.45277 1.34677 -6.86523 1 Pb 8.87005 509
-5.45277 1.34677 -6.86523 1 Pb 8.87005 510
1.34677 5.45277 -6.86523 1 Pb 8.87005 511
-1.34677 5.45277 -6.86523 1 Pb 8.87005 512
5.45277 -1.34677 -6.86523 1 Pb 8.87005 513
-5.45277 -1.34677 -6.86523 1 Pb 8.87005 514
1.34677 -5.45277 -6.86523 1 Pb 8.87005 515
-1.34677 -5.45277 -6.86523 1 Pb 8.87005 516
8.21200 4.10600 0.00000 2 Ti 9.18130 517
-8.21200 4.10600 0.00000 2 Ti 9.18130 518
4.10600 8.21200 0.00000 2 Ti 9.18130 519
-4.10600 8.21200 0.00000 2 Ti 9.18130 520
8.21200 -4.10600 0.00000 2 Ti 9.18130 521
-8.21200 -4.10600 0.00000 2 Ti 9.18130 522
4.10600 -8.21200 0.00000 2 Ti 9.18130 523
-4.10600 -8.21200 0.00000 2 Ti 9.18130 524
8.21200 0.00000 4.10600 2 Ti 9.18130 525
-8.21200 0.00000 4.10600 2 Ti 9.18130 526
0.00000 8.21200 4.10600 2 Ti 9.18130 527
0.00000 -8.21200 4.10600 2 Ti 9.18130 528
4.10600 0.00000 8.21200 2 Ti 9.18130 529
-4.10600 0.00000 8.21200 2 Ti 9.18130 530
0.00000 4.10600 8.21200 2 Ti 9.18130 531
0.00000 -4.10600 8.21200 2 Ti 9.18130 532
8.21200 0.00000 -4.10600 2 Ti 9.18130 533
-8.21200 0.00000 -4.10600 2 Ti 9.18130 534
0.00000 8.21200 -4.10600 2 Ti 9.18130 535
0.00000 -8.21200 -4.10600 2 Ti 9.18130 536
4.10600 0.00000 -8.21200 2 Ti 9.18130 537
-4.10600 0.00000 -8.21200 2 Ti 9.18130 538
0.00000 4.10600 -8.21200 2 Ti 9.18130 539
0.00000 -4.10600 -8.21200 2 Ti 9.18130 540
6.86523 5.45277 2.75923 1 Pb 9.19116 541
-6.86523 5.45277 2.75923 1 Pb 9.19116 542
5.45277 6.86523 2.75923 1 Pb 9.19116 543
-5.45277 6.86523 2.75923 1 Pb 9.19116 544
6.86523 -5.45277 2.75923 1 Pb 9.19116 545
-6.86523 -5.45277 2.75923 1 Pb 9.19116 546
5.45277 -6.86523 2.75923 1 Pb 9.19116 547
-5.45277 -6.86523 2.75923 1 Pb 9.19116 548
6.86523 2.75923 5.45277 1 Pb 9.19116 549
-6.86523 2.75923 5.45277 1 Pb 9.19116 550
2.75923 6.86523 5.45277 1 Pb 9.19116 551
-2.75923 6.86523 5.45277 1 Pb 9.19116 552
6.86523 -2.75923 5.45277 1 Pb 9.19116 553
-6.86523 -2.75923 5.45277 1 Pb 9.19116 554
2.75923 -6.86523 5.45277 1 Pb 9.19116 555
-2.75923 -6.86523 5.45277 1 Pb 9.19116 556
5.45277 2.75923 6.86523 1 Pb 9.19116 557
-5.45277 2.75923 6.86523 1 Pb 9.19116 558
2.75923 5.45277 6.86523 1 Pb 9.19116 559
-2.75923 5.45277 6.86523 1 Pb 9.19116 560
5.45277 -2.75923 6.86523 1 Pb 9.19116 561
-5.45277 -2.75923 6.86523 1 Pb 9.19116 562
2.75923 -5.45277 6.86523 1 Pb 9.19116 563
-2.75923 -5.45277 6.86523 1 Pb 9.19116 564
6.86523 5.45277 -2.75923 1 Pb 9.19116 565
-6.86523 5.45277 -2.75923 1 Pb 9.19116 566
5.45277 6.86523 -2.75923 1 Pb 9.19116 567
-5.45277 6.86523 -2.75923 1 Pb 9.19116 568
6.86523 -5.45277 -2.75923 1 Pb 9.19116 569
-6.86523 -5.45277 -2.75923 1 Pb 9.19116 570
5.45277 -6.86523 -2.75923 1 Pb 9.19116 571
-5.45277 -6.86523 -2.75923 1 Pb 9.19116 572
6.86523 2.75923 -5.45277 1 Pb 9.19116 573
-6.86523 2.75923 -5.45277 1 Pb 9.19116 574
2.75923 6.86523 -5.45277 1 Pb 9.19116 575
-2.75923 6.86523 -5.45277 1 Pb 9.19116 576
6.86523 -2.75923 -5.45277 1 Pb 9.19116 577
-6.86523 -2.75923 -5.45277 1 Pb 9.19116 578
2.75923 -6.86523 -5.45277 1 Pb 9.19116 579
-2.75923 -6.86523 -5.45277 1 Pb 9.19116 580
5.45277 2.75923 -6.86523 1 Pb 9.19116 581
-5.45277 2.75923 -6.86523 1 Pb 9.19116 582
2.75923 5.45277 -6.86523 1 Pb 9.19116 583
-2.75923 5.45277 -6.86523 1 Pb 9.19116 584
5.45277 -2.75923 -6.86523 1 Pb 9.19116 585
-5.45277 -2.75923 -6.86523 1 Pb 9.19116 586
2.75923 -5.45277 -6.86523 1 Pb 9.19116 587
-2.75923 -5.45277 -6.86523 1 Pb 9.19116 588
8.21200 4.10600 2.05300 3 O 9.40803 589
-8.21200 4.10600 2.05300 3 O 9.40803 590
4.10600 8.21200 2.05300 3 O 9.40803 591
-4.10600 8.21200 2.05300 3 O 9.40803 592
8.21200 -4.10600 2.05300 3 O 9.40803 593
-8.21200 -4.10600 2.05300 3 O 9.40803 594
4.10600 -8.21200 2.05300 3 O 9.40803 595
-4.10600 -8.21200 2.05300 3 O 9.40803 596
8.21200 2.05300 4.10600 3 O 9.40803 597
-8.21200 2.05300 4.10600 3 O 9.40803 598
2.05300 8.21200 4.10600 3 O 9.40803 599
-2.05300 8.21200 4.10600 3 O 9.40803 600
8.21200 -2.05300 4.10600 3 O 9.40803 601
-8.21200 -2.05300 4.10600 3 O 9.40803 602
2.05300 -8.21200 4.10600 3 O 9.40803 603
-2.05300 -8.21200 4.10600 3 O 9.40803 604
4.10600 2.05300 8.21200 3 O 9.40803 605
-4.10600 2.05300 8.21200 3 O 9.40803 606
2.05300 4.10600 8.21200 3 O 9.40803 607
-2.05300 4.10600 8.21200 3 O 9.40803 608
4.10600 -2.05300 8.21200 3 O 9.40803 609
-4.10600 -2.05300 8.21200 3 O 9.40803 610
2.05300 -4.10600 8.21200 3 O 9.40803 611
-2.05300 -4.10600 8.21200 3 O 9.40803 612
8.21200 4.10600 -2.05300 3 O 9.40803 613
-8.21200 4.10600 -2.05300 3 O 9.40803 614
4.10600 8.21200 -2.05300 3 O 9.40803 615
-4.10600 8.21200 -2.05300 3 O 9.40803 616
8.21200 -4.10600 -2.05300 3 O 9.40803 617
-8.21200 -4.10600 -2.05300 3 O 9.40803 618
4.10600 -8.21200 -2.05300 3 O 9.40803 619
-4.10600 -8.21200 -2.05300 3 O 9.40803 620
8.21200 2.05300 -4.10600 3 O 9.40803 621
-8.21200 2.05300 -4.10600 3 O 9.40803 622
2.05300 8.21200 -4.10600 3 O 9.40803 623
-2.05300 8.21200 -4.10600 3 O 9.40803 624
8.21200 -2.05300 -4.10600 3 O 9.40803 625
-8.21200 -2.05300 -4.10600 3 O 9.40803 626
2.05300 -8.21200 -4.10600 3 O 9.40803 627
-2.05300 -8.21200 -4.10600 3 O 9.40803 628
4.10600 2.05300 -8.21200 3 O 9.40803 629
-4.10600 2.05300 -8.21200 3 O 9.40803 630
2.05300 4.10600 -8.21200 3 O 9.40803 631
-2.05300 4.10600 -8.21200 3 O 9.40803 632
4.10600 -2.05300 -8.21200 3 O 9.40803 633
-4.10600 -2.05300 -8.21200 3 O 9.40803 634
2.05300 -4.10600 -8.21200 3 O 9.40803 635
-2.05300 -4.10600 -8.21200 3 O 9.40803 636
5.45277 5.45277 5.45277 1 Pb 9.44447 637
-5.45277 5.45277 5.45277 1 Pb 9.44447 638
5.45277 -5.45277 5.45277 1 Pb 9.44447 639
-5.45277 -5.45277 5.45277 1 Pb 9.44447 640
5.45277 5.45277 -5.45277 1 Pb 9.44447 641
-5.45277 5.45277 -5.45277 1 Pb 9.44447 642
5.45277 -5.45277 -5.45277 1 Pb 9.44447 643
-5.45277 -5.45277 -5.45277 1 Pb 9.44447 644
9.55877 1.34677 1.34677 1 Pb 9.74667 645
-9.55877 1.34677 1.34677 1 Pb 9.74667 646
1.34677 9.55877 1.34677 1 Pb 9.74667 647
-1.34677 9.55877 1.34677 1 Pb 9.74667 648
9.55877 -1.34677 1.34677 1 Pb 9.74667 649
-9.55877 -1.34677 1.34677 1 Pb 9.74667 650
1.34677 -9.55877 1.34677 1 Pb 9.74667 651
-1.34677 -9.55877 1.34677 1 Pb 9.74667 652
1.34677 1.34677 9.55877 1 Pb 9.74667 653
-1.34677 1.34677 9.55877 1 Pb 9.74667 654
1.34677 -1.34677 9.55877 1 Pb 9.74667 655
-1.34677 -1.34677 9.55877 1 Pb 9.74667 656
9.55877 1.34677 -1.34677 1 Pb 9.74667 657
-9.55877 1.34677 -1.34677 1 Pb 9.74667 658
1.34677 9.55877 -1.34677 1 Pb 9.74667 659
-1.34677 9.55877 -1.34677 1 Pb 9.74667 660
9.55877 -1.34677 -1.34677 1 Pb 9.74667 661
-9.55877 -1.34677 -1.34677 1 Pb 9.74667 662
1.34677 -9.55877 -1.34677 1 Pb 9.74667 663
-1.34677 -9.55877 -1.34677 1 Pb 9.74667 664
1.34677 1.34677 -9.55877 1 Pb 9.74667 665
-1.34677 1.34677 -9.55877 1 Pb 9.74667 666
1.34677 -1.34677 -9.55877 1 Pb 9.74667 667
-1.34677 -1.34677 -9.55877 1 Pb 9.74667 668
6.86523 6.86523 1.34677 1 Pb 9.80186 669
-6.86523 6.86523 1.34677 1 Pb 9.80186 670
6.86523 -6.86523 1.34677 1 Pb 9.80186 671
-6.86523 -6.86523 1.34677 1 Pb 9.80186 672
6.86523 1.34677 6.86523 1 Pb 9.80186 673
-6.86523 1.34677 6.86523 1 Pb 9.80186 674
1.34677 6.86523 6.86523 1 Pb 9.80186 675
-1.34677 6.86523 6.86523 1 Pb 9.80186 676
6.86523 -1.34677 6.86523 1 Pb 9.80186 677
-6.86523 -1.34677 6.86523 1 Pb 9.80186 678
1.34677 -6.86523 6.86523 1 Pb 9.80186 679
-1.34677 -6.86523 6.86523 1 Pb 9.80186 680
6.86523 6.86523 -1.34677 1 Pb 9.80186 681
-6.86523 6.86523 -1.34677 1 Pb 9.80186 682
6.86523 -6.86523 -1.34677 1 Pb 9.80186 683
-6.86523 -6.86523 -1.34677 1 Pb 9.80186 684
6.86523 1.34677 -6.86523 1 Pb 9.80186 685
-6.86523 1.34677 -6.86523 1 Pb 9.80186 686
1.34677 6.86523 -6.86523 1 Pb 9.80186 687
-1.34677 6.86523 -6.86523 1 Pb 9.80186 688
6.86523 -1.34677 -6.86523 1 Pb 9.80186 689
-6.86523 -1.34677 -6.86523 1 Pb 9.80186 690
1.34677 -6.86523 -6.86523 1 Pb 9.80186 691
-1.34677 -6.86523 -6.86523 1 Pb 9.80186 692
END
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Valmor Roberto Mastelaro
Grupo Crescimento de Cristais e Materiais Cerâmicos
Instituto de Física de São Carlos
Universidade de São Paulo
São Carlos - São Paulo
Brazil
Tel: 55 16 3373-9828
Fax: 55 16 3373-9824
e-mail alternativo: vmastelaro at gmail.com
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