MgO test example
0       3            512
    17.26560000     0.00000000     0.00000000
     0.00000000    17.26560000     0.00000000
     0.00000000     0.00000000    17.26560000
NUMMOL 1 1
MOLECULE mgo 512
Mg  core              1
     0.00000000     0.00000000     0.00000000              
O  core              2
     2.15820000     2.15820000     2.15820000              
Mg  core              3
     0.00000000     2.15820000     2.15820000              
O  core              4
     2.15820000     0.00000000     0.00000000              
Mg  core              5
     2.15820000     0.00000000     2.15820000              
O  core              6
     0.00000000     2.15820000     0.00000000              
Mg  core              7
     2.15820000     2.15820000     0.00000000              
O  core              8
     0.00000000     0.00000000     2.15820000              
Mg  core              9
     0.00000000     0.00000000     4.31640000              
O  core             10
     2.15820000     2.15820000     6.47460000              
Mg  core             11
     0.00000000     2.15820000     6.47460000              
O  core             12
     2.15820000     0.00000000     4.31640000              
Mg  core             13
     2.15820000     0.00000000     6.47460000              
O  core             14
     0.00000000     2.15820000     4.31640000              
Mg  core             15
     2.15820000     2.15820000     4.31640000              
O  core             16
     0.00000000     0.00000000     6.47460000              
Mg  core             17
     0.00000000     0.00000000     8.63280000              
O  core             18
     2.15820000     2.15820000    10.79100000              
Mg  core             19
     0.00000000     2.15820000    10.79100000              
O  core             20
     2.15820000     0.00000000     8.63280000              
Mg  core             21
     2.15820000     0.00000000    10.79100000              
O  core             22
     0.00000000     2.15820000     8.63280000              
Mg  core             23
     2.15820000     2.15820000     8.63280000              
O  core             24
     0.00000000     0.00000000    10.79100000              
Mg  core             25
     0.00000000     0.00000000    12.94920000              
O  core             26
     2.15820000     2.15820000    15.10740000              
Mg  core             27
     0.00000000     2.15820000    15.10740000              
O  core             28
     2.15820000     0.00000000    12.94920000              
Mg  core             29
     2.15820000     0.00000000    15.10740000              
O  core             30
     0.00000000     2.15820000    12.94920000              
Mg  core             31
     2.15820000     2.15820000    12.94920000              
O  core             32
     0.00000000     0.00000000    15.10740000              
Mg  core             33
     0.00000000     4.31640000     0.00000000              
O  core             34
     2.15820000     6.47460000     2.15820000              
Mg  core             35
     0.00000000     6.47460000     2.15820000              
O  core             36
     2.15820000     4.31640000     0.00000000              
Mg  core             37
     2.15820000     4.31640000     2.15820000              
O  core             38
     0.00000000     6.47460000     0.00000000              
Mg  core             39
     2.15820000     6.47460000     0.00000000              
O  core             40
     0.00000000     4.31640000     2.15820000              
Mg  core             41
     0.00000000     4.31640000     4.31640000              
O  core             42
     2.15820000     6.47460000     6.47460000              
Mg  core             43
     0.00000000     6.47460000     6.47460000              
O  core             44
     2.15820000     4.31640000     4.31640000              
Mg  core             45
     2.15820000     4.31640000     6.47460000              
O  core             46
     0.00000000     6.47460000     4.31640000              
Mg  core             47
     2.15820000     6.47460000     4.31640000              
O  core             48
     0.00000000     4.31640000     6.47460000              
Mg  core             49
     0.00000000     4.31640000     8.63280000              
O  core             50
     2.15820000     6.47460000    10.79100000              
Mg  core             51
     0.00000000     6.47460000    10.79100000              
O  core             52
     2.15820000     4.31640000     8.63280000              
Mg  core             53
     2.15820000     4.31640000    10.79100000              
O  core             54
     0.00000000     6.47460000     8.63280000              
Mg  core             55
     2.15820000     6.47460000     8.63280000              
O  core             56
     0.00000000     4.31640000    10.79100000              
Mg  core             57
     0.00000000     4.31640000    12.94920000              
O  core             58
     2.15820000     6.47460000    15.10740000              
Mg  core             59
     0.00000000     6.47460000    15.10740000              
O  core             60
     2.15820000     4.31640000    12.94920000              
Mg  core             61
     2.15820000     4.31640000    15.10740000              
O  core             62
     0.00000000     6.47460000    12.94920000              
Mg  core             63
     2.15820000     6.47460000    12.94920000              
O  core             64
     0.00000000     4.31640000    15.10740000              
Mg  core             65
     0.00000000     8.63280000     0.00000000              
O  core             66
     2.15820000    10.79100000     2.15820000              
Mg  core             67
     0.00000000    10.79100000     2.15820000              
O  core             68
     2.15820000     8.63280000     0.00000000              
Mg  core             69
     2.15820000     8.63280000     2.15820000              
O  core             70
     0.00000000    10.79100000     0.00000000              
Mg  core             71
     2.15820000    10.79100000     0.00000000              
O  core             72
     0.00000000     8.63280000     2.15820000              
Mg  core             73
     0.00000000     8.63280000     4.31640000              
O  core             74
     2.15820000    10.79100000     6.47460000              
Mg  core             75
     0.00000000    10.79100000     6.47460000              
O  core             76
     2.15820000     8.63280000     4.31640000              
Mg  core             77
     2.15820000     8.63280000     6.47460000              
O  core             78
     0.00000000    10.79100000     4.31640000              
Mg  core             79
     2.15820000    10.79100000     4.31640000              
O  core             80
     0.00000000     8.63280000     6.47460000              
Mg  core             81
     0.00000000     8.63280000     8.63280000              
O  core             82
     2.15820000    10.79100000    10.79100000              
Mg  core             83
     0.00000000    10.79100000    10.79100000              
O  core             84
     2.15820000     8.63280000     8.63280000              
Mg  core             85
     2.15820000     8.63280000    10.79100000              
O  core             86
     0.00000000    10.79100000     8.63280000              
Mg  core             87
     2.15820000    10.79100000     8.63280000              
O  core             88
     0.00000000     8.63280000    10.79100000              
Mg  core             89
     0.00000000     8.63280000    12.94920000              
O  core             90
     2.15820000    10.79100000    15.10740000              
Mg  core             91
     0.00000000    10.79100000    15.10740000              
O  core             92
     2.15820000     8.63280000    12.94920000              
Mg  core             93
     2.15820000     8.63280000    15.10740000              
O  core             94
     0.00000000    10.79100000    12.94920000              
Mg  core             95
     2.15820000    10.79100000    12.94920000              
O  core             96
     0.00000000     8.63280000    15.10740000              
Mg  core             97
     0.00000000    12.94920000     0.00000000              
O  core             98
     2.15820000    15.10740000     2.15820000              
Mg  core             99
     0.00000000    15.10740000     2.15820000              
O  core            100
     2.15820000    12.94920000     0.00000000              
Mg  core            101
     2.15820000    12.94920000     2.15820000              
O  core            102
     0.00000000    15.10740000     0.00000000              
Mg  core            103
     2.15820000    15.10740000     0.00000000              
O  core            104
     0.00000000    12.94920000     2.15820000              
Mg  core            105
     0.00000000    12.94920000     4.31640000              
O  core            106
     2.15820000    15.10740000     6.47460000              
Mg  core            107
     0.00000000    15.10740000     6.47460000              
O  core            108
     2.15820000    12.94920000     4.31640000              
Mg  core            109
     2.15820000    12.94920000     6.47460000              
O  core            110
     0.00000000    15.10740000     4.31640000              
Mg  core            111
     2.15820000    15.10740000     4.31640000              
O  core            112
     0.00000000    12.94920000     6.47460000              
Mg  core            113
     0.00000000    12.94920000     8.63280000              
O  core            114
     2.15820000    15.10740000    10.79100000              
Mg  core            115
     0.00000000    15.10740000    10.79100000              
O  core            116
     2.15820000    12.94920000     8.63280000              
Mg  core            117
     2.15820000    12.94920000    10.79100000              
O  core            118
     0.00000000    15.10740000     8.63280000              
Mg  core            119
     2.15820000    15.10740000     8.63280000              
O  core            120
     0.00000000    12.94920000    10.79100000              
Mg  core            121
     0.00000000    12.94920000    12.94920000              
O  core            122
     2.15820000    15.10740000    15.10740000              
Mg  core            123
     0.00000000    15.10740000    15.10740000              
O  core            124
     2.15820000    12.94920000    12.94920000              
Mg  core            125
     2.15820000    12.94920000    15.10740000              
O  core            126
     0.00000000    15.10740000    12.94920000              
Mg  core            127
     2.15820000    15.10740000    12.94920000              
O  core            128
     0.00000000    12.94920000    15.10740000              
Mg  core            129
     4.31640000     0.00000000     0.00000000              
O  core            130
     6.47460000     2.15820000     2.15820000              
Mg  core            131
     4.31640000     2.15820000     2.15820000              
O  core            132
     6.47460000     0.00000000     0.00000000              
Mg  core            133
     6.47460000     0.00000000     2.15820000              
O  core            134
     4.31640000     2.15820000     0.00000000              
Mg  core            135
     6.47460000     2.15820000     0.00000000              
O  core            136
     4.31640000     0.00000000     2.15820000              
Mg  core            137
     4.31640000     0.00000000     4.31640000              
O  core            138
     6.47460000     2.15820000     6.47460000              
Mg  core            139
     4.31640000     2.15820000     6.47460000              
O  core            140
     6.47460000     0.00000000     4.31640000              
Mg  core            141
     6.47460000     0.00000000     6.47460000              
O  core            142
     4.31640000     2.15820000     4.31640000              
Mg  core            143
     6.47460000     2.15820000     4.31640000              
O  core            144
     4.31640000     0.00000000     6.47460000              
Mg  core            145
     4.31640000     0.00000000     8.63280000              
O  core            146
     6.47460000     2.15820000    10.79100000              
Mg  core            147
     4.31640000     2.15820000    10.79100000              
O  core            148
     6.47460000     0.00000000     8.63280000              
Mg  core            149
     6.47460000     0.00000000    10.79100000              
O  core            150
     4.31640000     2.15820000     8.63280000              
Mg  core            151
     6.47460000     2.15820000     8.63280000              
O  core            152
     4.31640000     0.00000000    10.79100000              
Mg  core            153
     4.31640000     0.00000000    12.94920000              
O  core            154
     6.47460000     2.15820000    15.10740000              
Mg  core            155
     4.31640000     2.15820000    15.10740000              
O  core            156
     6.47460000     0.00000000    12.94920000              
Mg  core            157
     6.47460000     0.00000000    15.10740000              
O  core            158
     4.31640000     2.15820000    12.94920000              
Mg  core            159
     6.47460000     2.15820000    12.94920000              
O  core            160
     4.31640000     0.00000000    15.10740000              
Mg  core            161
     4.31640000     4.31640000     0.00000000              
O  core            162
     6.47460000     6.47460000     2.15820000              
Mg  core            163
     4.31640000     6.47460000     2.15820000              
O  core            164
     6.47460000     4.31640000     0.00000000              
Mg  core            165
     6.47460000     4.31640000     2.15820000              
O  core            166
     4.31640000     6.47460000     0.00000000              
Mg  core            167
     6.47460000     6.47460000     0.00000000              
O  core            168
     4.31640000     4.31640000     2.15820000              
Mg  core            169
     4.31640000     4.31640000     4.31640000              
O  core            170
     6.47460000     6.47460000     6.47460000              
Mg  core            171
     4.31640000     6.47460000     6.47460000              
O  core            172
     6.47460000     4.31640000     4.31640000              
Mg  core            173
     6.47460000     4.31640000     6.47460000              
O  core            174
     4.31640000     6.47460000     4.31640000              
Mg  core            175
     6.47460000     6.47460000     4.31640000              
O  core            176
     4.31640000     4.31640000     6.47460000              
Mg  core            177
     4.31640000     4.31640000     8.63280000              
O  core            178
     6.47460000     6.47460000    10.79100000              
Mg  core            179
     4.31640000     6.47460000    10.79100000              
O  core            180
     6.47460000     4.31640000     8.63280000              
Mg  core            181
     6.47460000     4.31640000    10.79100000              
O  core            182
     4.31640000     6.47460000     8.63280000              
Mg  core            183
     6.47460000     6.47460000     8.63280000              
O  core            184
     4.31640000     4.31640000    10.79100000              
Mg  core            185
     4.31640000     4.31640000    12.94920000              
O  core            186
     6.47460000     6.47460000    15.10740000              
Mg  core            187
     4.31640000     6.47460000    15.10740000              
O  core            188
     6.47460000     4.31640000    12.94920000              
Mg  core            189
     6.47460000     4.31640000    15.10740000              
O  core            190
     4.31640000     6.47460000    12.94920000              
Mg  core            191
     6.47460000     6.47460000    12.94920000              
O  core            192
     4.31640000     4.31640000    15.10740000              
Mg  core            193
     4.31640000     8.63280000     0.00000000              
O  core            194
     6.47460000    10.79100000     2.15820000              
Mg  core            195
     4.31640000    10.79100000     2.15820000              
O  core            196
     6.47460000     8.63280000     0.00000000              
Mg  core            197
     6.47460000     8.63280000     2.15820000              
O  core            198
     4.31640000    10.79100000     0.00000000              
Mg  core            199
     6.47460000    10.79100000     0.00000000              
O  core            200
     4.31640000     8.63280000     2.15820000              
Mg  core            201
     4.31640000     8.63280000     4.31640000              
O  core            202
     6.47460000    10.79100000     6.47460000              
Mg  core            203
     4.31640000    10.79100000     6.47460000              
O  core            204
     6.47460000     8.63280000     4.31640000              
Mg  core            205
     6.47460000     8.63280000     6.47460000              
O  core            206
     4.31640000    10.79100000     4.31640000              
Mg  core            207
     6.47460000    10.79100000     4.31640000              
O  core            208
     4.31640000     8.63280000     6.47460000              
Mg  core            209
     4.31640000     8.63280000     8.63280000              
O  core            210
     6.47460000    10.79100000    10.79100000              
Mg  core            211
     4.31640000    10.79100000    10.79100000              
O  core            212
     6.47460000     8.63280000     8.63280000              
Mg  core            213
     6.47460000     8.63280000    10.79100000              
O  core            214
     4.31640000    10.79100000     8.63280000              
Mg  core            215
     6.47460000    10.79100000     8.63280000              
O  core            216
     4.31640000     8.63280000    10.79100000              
Mg  core            217
     4.31640000     8.63280000    12.94920000              
O  core            218
     6.47460000    10.79100000    15.10740000              
Mg  core            219
     4.31640000    10.79100000    15.10740000              
O  core            220
     6.47460000     8.63280000    12.94920000              
Mg  core            221
     6.47460000     8.63280000    15.10740000              
O  core            222
     4.31640000    10.79100000    12.94920000              
Mg  core            223
     6.47460000    10.79100000    12.94920000              
O  core            224
     4.31640000     8.63280000    15.10740000              
Mg  core            225
     4.31640000    12.94920000     0.00000000              
O  core            226
     6.47460000    15.10740000     2.15820000              
Mg  core            227
     4.31640000    15.10740000     2.15820000              
O  core            228
     6.47460000    12.94920000     0.00000000              
Mg  core            229
     6.47460000    12.94920000     2.15820000              
O  core            230
     4.31640000    15.10740000     0.00000000              
Mg  core            231
     6.47460000    15.10740000     0.00000000              
O  core            232
     4.31640000    12.94920000     2.15820000              
Mg  core            233
     4.31640000    12.94920000     4.31640000              
O  core            234
     6.47460000    15.10740000     6.47460000              
Mg  core            235
     4.31640000    15.10740000     6.47460000              
O  core            236
     6.47460000    12.94920000     4.31640000              
Mg  core            237
     6.47460000    12.94920000     6.47460000              
O  core            238
     4.31640000    15.10740000     4.31640000              
Mg  core            239
     6.47460000    15.10740000     4.31640000              
O  core            240
     4.31640000    12.94920000     6.47460000              
Mg  core            241
     4.31640000    12.94920000     8.63280000              
O  core            242
     6.47460000    15.10740000    10.79100000              
Mg  core            243
     4.31640000    15.10740000    10.79100000              
O  core            244
     6.47460000    12.94920000     8.63280000              
Mg  core            245
     6.47460000    12.94920000    10.79100000              
O  core            246
     4.31640000    15.10740000     8.63280000              
Mg  core            247
     6.47460000    15.10740000     8.63280000              
O  core            248
     4.31640000    12.94920000    10.79100000              
Mg  core            249
     4.31640000    12.94920000    12.94920000              
O  core            250
     6.47460000    15.10740000    15.10740000              
Mg  core            251
     4.31640000    15.10740000    15.10740000              
O  core            252
     6.47460000    12.94920000    12.94920000              
Mg  core            253
     6.47460000    12.94920000    15.10740000              
O  core            254
     4.31640000    15.10740000    12.94920000              
Mg  core            255
     6.47460000    15.10740000    12.94920000              
O  core            256
     4.31640000    12.94920000    15.10740000              
Mg  core            257
     8.63280000     0.00000000     0.00000000              
O  core            258
    10.79100000     2.15820000     2.15820000              
Mg  core            259
     8.63280000     2.15820000     2.15820000              
O  core            260
    10.79100000     0.00000000     0.00000000              
Mg  core            261
    10.79100000     0.00000000     2.15820000              
O  core            262
     8.63280000     2.15820000     0.00000000              
Mg  core            263
    10.79100000     2.15820000     0.00000000              
O  core            264
     8.63280000     0.00000000     2.15820000              
Mg  core            265
     8.63280000     0.00000000     4.31640000              
O  core            266
    10.79100000     2.15820000     6.47460000              
Mg  core            267
     8.63280000     2.15820000     6.47460000              
O  core            268
    10.79100000     0.00000000     4.31640000              
Mg  core            269
    10.79100000     0.00000000     6.47460000              
O  core            270
     8.63280000     2.15820000     4.31640000              
Mg  core            271
    10.79100000     2.15820000     4.31640000              
O  core            272
     8.63280000     0.00000000     6.47460000              
Mg  core            273
     8.63280000     0.00000000     8.63280000              
O  core            274
    10.79100000     2.15820000    10.79100000              
Mg  core            275
     8.63280000     2.15820000    10.79100000              
O  core            276
    10.79100000     0.00000000     8.63280000              
Mg  core            277
    10.79100000     0.00000000    10.79100000              
O  core            278
     8.63280000     2.15820000     8.63280000              
Mg  core            279
    10.79100000     2.15820000     8.63280000              
O  core            280
     8.63280000     0.00000000    10.79100000              
Mg  core            281
     8.63280000     0.00000000    12.94920000              
O  core            282
    10.79100000     2.15820000    15.10740000              
Mg  core            283
     8.63280000     2.15820000    15.10740000              
O  core            284
    10.79100000     0.00000000    12.94920000              
Mg  core            285
    10.79100000     0.00000000    15.10740000              
O  core            286
     8.63280000     2.15820000    12.94920000              
Mg  core            287
    10.79100000     2.15820000    12.94920000              
O  core            288
     8.63280000     0.00000000    15.10740000              
Mg  core            289
     8.63280000     4.31640000     0.00000000              
O  core            290
    10.79100000     6.47460000     2.15820000              
Mg  core            291
     8.63280000     6.47460000     2.15820000              
O  core            292
    10.79100000     4.31640000     0.00000000              
Mg  core            293
    10.79100000     4.31640000     2.15820000              
O  core            294
     8.63280000     6.47460000     0.00000000              
Mg  core            295
    10.79100000     6.47460000     0.00000000              
O  core            296
     8.63280000     4.31640000     2.15820000              
Mg  core            297
     8.63280000     4.31640000     4.31640000              
O  core            298
    10.79100000     6.47460000     6.47460000              
Mg  core            299
     8.63280000     6.47460000     6.47460000              
O  core            300
    10.79100000     4.31640000     4.31640000              
Mg  core            301
    10.79100000     4.31640000     6.47460000              
O  core            302
     8.63280000     6.47460000     4.31640000              
Mg  core            303
    10.79100000     6.47460000     4.31640000              
O  core            304
     8.63280000     4.31640000     6.47460000              
Mg  core            305
     8.63280000     4.31640000     8.63280000              
O  core            306
    10.79100000     6.47460000    10.79100000              
Mg  core            307
     8.63280000     6.47460000    10.79100000              
O  core            308
    10.79100000     4.31640000     8.63280000              
Mg  core            309
    10.79100000     4.31640000    10.79100000              
O  core            310
     8.63280000     6.47460000     8.63280000              
Mg  core            311
    10.79100000     6.47460000     8.63280000              
O  core            312
     8.63280000     4.31640000    10.79100000              
Mg  core            313
     8.63280000     4.31640000    12.94920000              
O  core            314
    10.79100000     6.47460000    15.10740000              
Mg  core            315
     8.63280000     6.47460000    15.10740000              
O  core            316
    10.79100000     4.31640000    12.94920000              
Mg  core            317
    10.79100000     4.31640000    15.10740000              
O  core            318
     8.63280000     6.47460000    12.94920000              
Mg  core            319
    10.79100000     6.47460000    12.94920000              
O  core            320
     8.63280000     4.31640000    15.10740000              
Mg  core            321
     8.63280000     8.63280000     0.00000000              
O  core            322
    10.79100000    10.79100000     2.15820000              
Mg  core            323
     8.63280000    10.79100000     2.15820000              
O  core            324
    10.79100000     8.63280000     0.00000000              
Mg  core            325
    10.79100000     8.63280000     2.15820000              
O  core            326
     8.63280000    10.79100000     0.00000000              
Mg  core            327
    10.79100000    10.79100000     0.00000000              
O  core            328
     8.63280000     8.63280000     2.15820000              
Mg  core            329
     8.63280000     8.63280000     4.31640000              
O  core            330
    10.79100000    10.79100000     6.47460000              
Mg  core            331
     8.63280000    10.79100000     6.47460000              
O  core            332
    10.79100000     8.63280000     4.31640000              
Mg  core            333
    10.79100000     8.63280000     6.47460000              
O  core            334
     8.63280000    10.79100000     4.31640000              
Mg  core            335
    10.79100000    10.79100000     4.31640000              
O  core            336
     8.63280000     8.63280000     6.47460000              
Mg  core            337
     8.63280000     8.63280000     8.63280000              
O  core            338
    10.79100000    10.79100000    10.79100000              
Mg  core            339
     8.63280000    10.79100000    10.79100000              
O  core            340
    10.79100000     8.63280000     8.63280000              
Mg  core            341
    10.79100000     8.63280000    10.79100000              
O  core            342
     8.63280000    10.79100000     8.63280000              
Mg  core            343
    10.79100000    10.79100000     8.63280000              
O  core            344
     8.63280000     8.63280000    10.79100000              
Mg  core            345
     8.63280000     8.63280000    12.94920000              
O  core            346
    10.79100000    10.79100000    15.10740000              
Mg  core            347
     8.63280000    10.79100000    15.10740000              
O  core            348
    10.79100000     8.63280000    12.94920000              
Mg  core            349
    10.79100000     8.63280000    15.10740000              
O  core            350
     8.63280000    10.79100000    12.94920000              
Mg  core            351
    10.79100000    10.79100000    12.94920000              
O  core            352
     8.63280000     8.63280000    15.10740000              
Mg  core            353
     8.63280000    12.94920000     0.00000000              
O  core            354
    10.79100000    15.10740000     2.15820000              
Mg  core            355
     8.63280000    15.10740000     2.15820000              
O  core            356
    10.79100000    12.94920000     0.00000000              
Mg  core            357
    10.79100000    12.94920000     2.15820000              
O  core            358
     8.63280000    15.10740000     0.00000000              
Mg  core            359
    10.79100000    15.10740000     0.00000000              
O  core            360
     8.63280000    12.94920000     2.15820000              
Mg  core            361
     8.63280000    12.94920000     4.31640000              
O  core            362
    10.79100000    15.10740000     6.47460000              
Mg  core            363
     8.63280000    15.10740000     6.47460000              
O  core            364
    10.79100000    12.94920000     4.31640000              
Mg  core            365
    10.79100000    12.94920000     6.47460000              
O  core            366
     8.63280000    15.10740000     4.31640000              
Mg  core            367
    10.79100000    15.10740000     4.31640000              
O  core            368
     8.63280000    12.94920000     6.47460000              
Mg  core            369
     8.63280000    12.94920000     8.63280000              
O  core            370
    10.79100000    15.10740000    10.79100000              
Mg  core            371
     8.63280000    15.10740000    10.79100000              
O  core            372
    10.79100000    12.94920000     8.63280000              
Mg  core            373
    10.79100000    12.94920000    10.79100000              
O  core            374
     8.63280000    15.10740000     8.63280000              
Mg  core            375
    10.79100000    15.10740000     8.63280000              
O  core            376
     8.63280000    12.94920000    10.79100000              
Mg  core            377
     8.63280000    12.94920000    12.94920000              
O  core            378
    10.79100000    15.10740000    15.10740000              
Mg  core            379
     8.63280000    15.10740000    15.10740000              
O  core            380
    10.79100000    12.94920000    12.94920000              
Mg  core            381
    10.79100000    12.94920000    15.10740000              
O  core            382
     8.63280000    15.10740000    12.94920000              
Mg  core            383
    10.79100000    15.10740000    12.94920000              
O  core            384
     8.63280000    12.94920000    15.10740000              
Mg  core            385
    12.94920000     0.00000000     0.00000000              
O  core            386
    15.10740000     2.15820000     2.15820000              
Mg  core            387
    12.94920000     2.15820000     2.15820000              
O  core            388
    15.10740000     0.00000000     0.00000000              
Mg  core            389
    15.10740000     0.00000000     2.15820000              
O  core            390
    12.94920000     2.15820000     0.00000000              
Mg  core            391
    15.10740000     2.15820000     0.00000000              
O  core            392
    12.94920000     0.00000000     2.15820000              
Mg  core            393
    12.94920000     0.00000000     4.31640000              
O  core            394
    15.10740000     2.15820000     6.47460000              
Mg  core            395
    12.94920000     2.15820000     6.47460000              
O  core            396
    15.10740000     0.00000000     4.31640000              
Mg  core            397
    15.10740000     0.00000000     6.47460000              
O  core            398
    12.94920000     2.15820000     4.31640000              
Mg  core            399
    15.10740000     2.15820000     4.31640000              
O  core            400
    12.94920000     0.00000000     6.47460000              
Mg  core            401
    12.94920000     0.00000000     8.63280000              
O  core            402
    15.10740000     2.15820000    10.79100000              
Mg  core            403
    12.94920000     2.15820000    10.79100000              
O  core            404
    15.10740000     0.00000000     8.63280000              
Mg  core            405
    15.10740000     0.00000000    10.79100000              
O  core            406
    12.94920000     2.15820000     8.63280000              
Mg  core            407
    15.10740000     2.15820000     8.63280000              
O  core            408
    12.94920000     0.00000000    10.79100000              
Mg  core            409
    12.94920000     0.00000000    12.94920000              
O  core            410
    15.10740000     2.15820000    15.10740000              
Mg  core            411
    12.94920000     2.15820000    15.10740000              
O  core            412
    15.10740000     0.00000000    12.94920000              
Mg  core            413
    15.10740000     0.00000000    15.10740000              
O  core            414
    12.94920000     2.15820000    12.94920000              
Mg  core            415
    15.10740000     2.15820000    12.94920000              
O  core            416
    12.94920000     0.00000000    15.10740000              
Mg  core            417
    12.94920000     4.31640000     0.00000000              
O  core            418
    15.10740000     6.47460000     2.15820000              
Mg  core            419
    12.94920000     6.47460000     2.15820000              
O  core            420
    15.10740000     4.31640000     0.00000000              
Mg  core            421
    15.10740000     4.31640000     2.15820000              
O  core            422
    12.94920000     6.47460000     0.00000000              
Mg  core            423
    15.10740000     6.47460000     0.00000000              
O  core            424
    12.94920000     4.31640000     2.15820000              
Mg  core            425
    12.94920000     4.31640000     4.31640000              
O  core            426
    15.10740000     6.47460000     6.47460000              
Mg  core            427
    12.94920000     6.47460000     6.47460000              
O  core            428
    15.10740000     4.31640000     4.31640000              
Mg  core            429
    15.10740000     4.31640000     6.47460000              
O  core            430
    12.94920000     6.47460000     4.31640000              
Mg  core            431
    15.10740000     6.47460000     4.31640000              
O  core            432
    12.94920000     4.31640000     6.47460000              
Mg  core            433
    12.94920000     4.31640000     8.63280000              
O  core            434
    15.10740000     6.47460000    10.79100000              
Mg  core            435
    12.94920000     6.47460000    10.79100000              
O  core            436
    15.10740000     4.31640000     8.63280000              
Mg  core            437
    15.10740000     4.31640000    10.79100000              
O  core            438
    12.94920000     6.47460000     8.63280000              
Mg  core            439
    15.10740000     6.47460000     8.63280000              
O  core            440
    12.94920000     4.31640000    10.79100000              
Mg  core            441
    12.94920000     4.31640000    12.94920000              
O  core            442
    15.10740000     6.47460000    15.10740000              
Mg  core            443
    12.94920000     6.47460000    15.10740000              
O  core            444
    15.10740000     4.31640000    12.94920000              
Mg  core            445
    15.10740000     4.31640000    15.10740000              
O  core            446
    12.94920000     6.47460000    12.94920000              
Mg  core            447
    15.10740000     6.47460000    12.94920000              
O  core            448
    12.94920000     4.31640000    15.10740000              
Mg  core            449
    12.94920000     8.63280000     0.00000000              
O  core            450
    15.10740000    10.79100000     2.15820000              
Mg  core            451
    12.94920000    10.79100000     2.15820000              
O  core            452
    15.10740000     8.63280000     0.00000000              
Mg  core            453
    15.10740000     8.63280000     2.15820000              
O  core            454
    12.94920000    10.79100000     0.00000000              
Mg  core            455
    15.10740000    10.79100000     0.00000000              
O  core            456
    12.94920000     8.63280000     2.15820000              
Mg  core            457
    12.94920000     8.63280000     4.31640000              
O  core            458
    15.10740000    10.79100000     6.47460000              
Mg  core            459
    12.94920000    10.79100000     6.47460000              
O  core            460
    15.10740000     8.63280000     4.31640000              
Mg  core            461
    15.10740000     8.63280000     6.47460000              
O  core            462
    12.94920000    10.79100000     4.31640000              
Mg  core            463
    15.10740000    10.79100000     4.31640000              
O  core            464
    12.94920000     8.63280000     6.47460000              
Mg  core            465
    12.94920000     8.63280000     8.63280000              
O  core            466
    15.10740000    10.79100000    10.79100000              
Mg  core            467
    12.94920000    10.79100000    10.79100000              
O  core            468
    15.10740000     8.63280000     8.63280000              
Mg  core            469
    15.10740000     8.63280000    10.79100000              
O  core            470
    12.94920000    10.79100000     8.63280000              
Mg  core            471
    15.10740000    10.79100000     8.63280000              
O  core            472
    12.94920000     8.63280000    10.79100000              
Mg  core            473
    12.94920000     8.63280000    12.94920000              
O  core            474
    15.10740000    10.79100000    15.10740000              
Mg  core            475
    12.94920000    10.79100000    15.10740000              
O  core            476
    15.10740000     8.63280000    12.94920000              
Mg  core            477
    15.10740000     8.63280000    15.10740000              
O  core            478
    12.94920000    10.79100000    12.94920000              
Mg  core            479
    15.10740000    10.79100000    12.94920000              
O  core            480
    12.94920000     8.63280000    15.10740000              
Mg  core            481
    12.94920000    12.94920000     0.00000000              
O  core            482
    15.10740000    15.10740000     2.15820000              
Mg  core            483
    12.94920000    15.10740000     2.15820000              
O  core            484
    15.10740000    12.94920000     0.00000000              
Mg  core            485
    15.10740000    12.94920000     2.15820000              
O  core            486
    12.94920000    15.10740000     0.00000000              
Mg  core            487
    15.10740000    15.10740000     0.00000000              
O  core            488
    12.94920000    12.94920000     2.15820000              
Mg  core            489
    12.94920000    12.94920000     4.31640000              
O  core            490
    15.10740000    15.10740000     6.47460000              
Mg  core            491
    12.94920000    15.10740000     6.47460000              
O  core            492
    15.10740000    12.94920000     4.31640000              
Mg  core            493
    15.10740000    12.94920000     6.47460000              
O  core            494
    12.94920000    15.10740000     4.31640000              
Mg  core            495
    15.10740000    15.10740000     4.31640000              
O  core            496
    12.94920000    12.94920000     6.47460000              
Mg  core            497
    12.94920000    12.94920000     8.63280000              
O  core            498
    15.10740000    15.10740000    10.79100000              
Mg  core            499
    12.94920000    15.10740000    10.79100000              
O  core            500
    15.10740000    12.94920000     8.63280000              
Mg  core            501
    15.10740000    12.94920000    10.79100000              
O  core            502
    12.94920000    15.10740000     8.63280000              
Mg  core            503
    15.10740000    15.10740000     8.63280000              
O  core            504
    12.94920000    12.94920000    10.79100000              
Mg  core            505
    12.94920000    12.94920000    12.94920000              
O  core            506
    15.10740000    15.10740000    15.10740000              
Mg  core            507
    12.94920000    15.10740000    15.10740000              
O  core            508
    15.10740000    12.94920000    12.94920000              
Mg  core            509
    15.10740000    12.94920000    15.10740000              
O  core            510
    12.94920000    15.10740000    12.94920000              
Mg  core            511
    15.10740000    15.10740000    12.94920000              
O  core            512
    12.94920000    12.94920000    15.10740000              
