EwalTest_Periodic.out 42.8 KB
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Energy :  -2.7909E+04
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 sample of final configuration
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4 5 6 7

      i       x(i)            y(i)            z(i)           fx(i)           fy(i)           fz(i)


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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428
      1  5.44400000E+00 -4.11780000E-01 -3.84400000E+00  1.74023101E+04 -1.49956673E+04 -3.39784417E+04
      2  6.28990000E+00 -9.44300000E-01 -3.87120000E+00 -2.68659171E+04  1.55783794E+04  3.80817446E+03
      3  5.06260000E+00 -3.43760000E-01 -4.76590000E+00  1.15052415E+04  5.53605903E+02  3.00416382E+04
      4 -4.46810000E+00 -3.68270000E+00 -1.54850000E+00 -2.05789865E+04 -2.35304903E+04 -2.54739670E+04
      5 -4.08720000E+00 -4.17960000E+00 -2.32820000E+00 -1.09247820E+04  1.86195286E+04  2.79798403E+04
      6 -5.43380000E+00 -3.91940000E+00 -1.44120000E+00  3.42391260E+04  1.11686970E+04 -3.04487530E+02
      7  7.96470000E+00 -1.79650000E+00 -3.74890000E+00  4.15789485E+04 -1.59374636E+04  6.99565675E+03
      8  8.15750000E+00 -2.77270000E+00 -3.64950000E+00 -1.23056910E+04  3.37405284E+04 -5.00171843E+03
      9 -8.37650000E+00 -1.28120000E+00 -3.70690000E+00 -3.32528796E+04 -1.74872866E+04 -2.82218496E+03
     10  3.27160000E+00  2.66880000E+00 -6.06630000E+00 -3.64612651E+04 -2.26601459E+04 -1.17315715E+04
     11  2.99170000E+00  1.78710000E+00 -5.68650000E+00  1.02035186E+04  2.93555531E+04 -1.23018771E+04
     12  2.59780000E+00  2.97080000E+00 -6.74070000E+00  2.56999737E+04 -8.12733621E+03  2.54204815E+04
     13 -6.26980000E+00  3.40300000E+00  1.26140000E-01  6.39345450E+03  3.45942230E+04 -2.97882232E+04
     14 -5.51830000E+00  4.06220000E+00  1.54900000E-01 -2.56734758E+04 -2.43061796E+04  2.30693768E+03
     15 -6.89630000E+00  3.64320000E+00 -6.15240000E-01  1.77279721E+04 -1.16939388E+04  2.71973243E+04
     16 -7.18470000E+00 -4.75990000E+00  6.84820000E+00  2.79436383E+04 -7.69836878E+03  3.40791760E+04
     17 -7.21820000E+00 -4.34520000E+00  7.75760000E+00 -1.24138326E+03 -1.40377468E+04 -3.53681211E+04
     18 -6.46460000E+00 -5.45330000E+00  6.82390000E+00 -2.37255588E+04  2.12201691E+04 -3.69453809E+03
     19  6.92920000E+00  3.85410000E+00  1.47090000E+00  1.22037529E+04 -4.14756185E+04 -3.98208205E+03
     20  7.61170000E+00  3.52040000E+00  2.12120000E+00 -2.20438086E+04  1.55370895E+04 -1.74199001E+04
     21  6.66900000E+00  3.11390000E+00  8.50910000E-01  8.01946322E+03  2.98943571E+04  2.28001217E+04
     22  4.07540000E-01 -6.40810000E+00 -5.32020000E+00  2.10193624E+04 -2.39001194E+04  3.39578345E+04
     23 -5.60260000E-02 -7.06440000E+00 -4.72490000E+00  1.29534589E+04  2.50405904E+04 -2.39590960E+04
     24  1.38500000E+00 -6.39870000E+00 -5.10940000E+00 -3.39666975E+04  3.09349341E+03 -1.03388536E+04
     25  7.35190000E+00 -3.84620000E-01  6.20690000E+00  4.49048519E+03 -3.34947526E+04 -2.75542539E+04
     26  6.60750000E+00 -1.03980000E+00  6.07810000E+00  2.02644933E+04  2.14228412E+04  5.94589775E+03
     27  8.17640000E+00 -7.22640000E-01  5.75310000E+00 -2.94842872E+04  1.44103499E+04  1.85028428E+04
     28 -9.39560000E-02  9.98170000E-01 -7.04680000E+00  1.58390991E+04 -3.73415785E+04  1.05492463E+04
     29  1.55850000E-01  7.55410000E-01 -6.10940000E+00 -5.96450625E+03  1.14615916E+04 -3.03703237E+04
     30  1.50920000E-01  2.48960000E-01 -7.66220000E+00 -7.25763672E+03  2.28665181E+04  1.86424584E+04
     31  5.40440000E+00 -5.57760000E+00 -6.99670000E+00  1.76409767E+04 -2.34590050E+04 -2.66791931E+04
     32  6.38800000E+00 -5.63200000E+00 -7.16900000E+00 -3.07080821E+04  2.82264420E+03  8.68457223E+03
     33  4.92150000E+00 -6.18930000E+00 -7.62330000E+00  1.24414343E+04  1.92189589E+04  1.98916237E+04
     34  1.85450000E+00 -4.94270000E+00 -6.87280000E-01  1.79776237E+04 -3.56671902E+04  3.43713081E+03
     35  2.67680000E+00 -5.17940000E+00 -1.20470000E+00 -2.70665533E+04  8.59967901E+03  1.57363474E+04
     36  1.60010000E+00 -5.70810000E+00 -9.62120000E-02  7.64967788E+03  2.65118496E+04 -1.80133628E+04
     37  6.48910000E-01  6.52030000E+00 -8.36780000E+00 -1.36324231E+04  1.49710598E+04  4.58734368E+04
     38 -5.29580000E-02  7.19070000E+00 -8.12710000E+00  2.45807280E+04 -2.49902714E+04 -1.26409255E+04
     39  1.06610000E+00  6.15960000E+00 -7.53360000E+00 -1.18732573E+04  9.68678152E+03 -3.29820941E+04
     40 -7.39370000E+00  5.26840000E-01  1.21490000E+00  8.34413526E+03  4.15577705E+04  1.88389904E+03
     41 -7.84370000E+00  1.14390000E+00  1.86050000E+00  1.45563722E+04 -2.44980539E+04 -2.25901268E+04
     42 -6.81600000E+00  1.05680000E+00  5.94050000E-01 -2.10150094E+04 -1.89334648E+04  2.01721453E+04
     43 -3.39090000E+00 -3.97360000E+00 -4.56320000E+00  4.05608593E+04  1.00835376E+04 -9.14274143E+03
     44 -3.17350000E+00 -3.19160000E+00 -5.14740000E+00 -1.06795706E+04 -2.73472973E+04  2.16564079E+04
     45 -2.54420000E+00 -4.42150000E+00 -4.27630000E+00 -3.20006230E+04  1.60301334E+04 -9.54350363E+03
     46  5.42870000E-01  6.01100000E+00  3.64880000E+00  1.76455053E+04  2.84456068E+04 -2.52831089E+04
     47  3.49240000E-02  6.81040000E+00  3.32790000E+00  1.35454705E+04 -2.65031915E+04  1.34418870E+04
     48  1.45640000E+00  6.01060000E+00  3.24190000E+00 -3.33914146E+04  6.61885457E+02  1.56558854E+04
     49  3.10120000E+00 -4.53780000E+00  1.92970000E+00 -3.98071184E+04 -1.30199247E+04  1.41911193E+04
     50  2.28430000E+00 -4.12000000E+00  1.53200000E+00  3.18306341E+04 -1.24386547E+04  1.13033984E+04
     51  2.83030000E+00 -5.24770000E+00  2.57980000E+00  1.04134898E+04  2.31094188E+04 -2.36723476E+04
     52  4.66770000E+00  1.54540000E-01 -6.55200000E+00  8.22983421E+03  1.39223139E+04 -4.15345747E+04
     53  4.74620000E+00 -4.29640000E-01 -7.35980000E+00 -2.99870813E+03  1.92124700E+04  3.24430504E+04
     54  4.79600000E+00  1.11010000E+00 -6.81730000E+00 -5.68707301E+03 -3.37690949E+04  1.36901791E+04
     55  5.71260000E+00  3.29600000E+00 -7.85780000E+00 -3.21763981E+03 -2.16457276E+04  3.64976263E+04
     56  6.30280000E+00  2.51960000E+00 -7.63680000E+00 -1.69061966E+04  2.75716896E+04 -1.08948354E+04
     57  5.18100000E+00  3.55160000E+00 -7.05030000E+00  1.89540900E+04 -6.99645376E+03 -2.82815139E+04
     58  5.27320000E+00 -1.93000000E+00 -8.45060000E-01 -2.84500081E+04  5.80442711E+03 -3.35091515E+04
     59  4.46860000E+00 -1.33650000E+00 -8.25980000E-01  2.86177170E+04 -1.93959438E+04  1.72023292E+03
     60  5.30320000E+00 -2.42380000E+00 -1.71410000E+00  6.27072073E+02  1.42195101E+04  2.83204019E+04
     61 -7.18840000E+00 -4.34750000E+00  1.57670000E+00  8.55937020E+03 -3.17473169E+04  2.68512649E+04
     62 -6.32750000E+00 -4.84660000E+00  1.67600000E+00 -2.66568271E+04  1.76584626E+04 -2.26669109E+03
     63 -7.84240000E+00 -4.67060000E+00  2.26080000E+00  2.10555005E+04  1.39280111E+04 -2.58472494E+04
     64 -5.44020000E-01 -4.91210000E+00 -2.18000000E+00  1.28913571E+04 -3.84666847E+04  1.55073676E+04
     65 -7.47200000E-01 -5.78600000E+00 -2.62170000E+00  5.00997522E+03  2.72115710E+04  1.59262942E+04
     66  8.54150000E-02 -5.06180000E+00 -1.41750000E+00 -1.85195039E+04  8.52473435E+03 -2.74816336E+04
     67 -7.55980000E+00 -8.38970000E+00 -3.14890000E+00 -1.93313084E+04  3.57243141E+04  2.19823733E+04
     68 -7.80120000E+00 -7.51110000E+00 -3.56090000E+00  1.08395111E+04 -3.20496109E+04  1.41232416E+04
     69 -7.79830000E+00 -8.37980000E+00 -2.17780000E+00  1.00534704E+04 -4.10973737E+03 -3.76754024E+04
     70 -4.82330000E+00 -6.45710000E+00  6.35150000E+00  3.95635852E+04 -1.07495855E+04 -1.24119364E+04
     71 -4.68690000E+00 -7.32620000E+00  5.87600000E+00 -6.90556124E+03  2.47583339E+04  1.52425396E+04
     72 -3.94750000E+00 -5.98200000E+00  6.43630000E+00 -3.43071864E+04 -1.67669330E+04 -3.82360912E+03
     73  4.12950000E+00 -7.46480000E+00  2.00810000E+00 -7.37645984E+03  2.83301234E+04 -3.18706253E+04
     74  4.74990000E+00 -6.80020000E+00  1.59170000E+00 -1.91808672E+04 -2.24868097E+04  1.42406501E+04
     75  3.23130000E+00 -7.40090000E+00  1.57330000E+00  2.75902988E+04 -3.26427014E+03  1.79326909E+04
     76 -1.65280000E+00 -2.79680000E-02  3.32500000E+00  9.32559512E+03  1.12794871E+04  3.22562054E+04
     77 -2.11570000E+00 -8.66490000E-02  4.20940000E+00  1.62709567E+04  2.60202341E+03 -2.51960125E+04
     78 -7.58690000E-01  4.03680000E-01  3.44420000E+00 -3.01650811E+04 -1.33680387E+04 -6.61257712E+03
     79 -4.58600000E+00  3.08210000E+00  6.43390000E+00 -4.12704991E+04 -1.08950291E+04 -7.40224947E+03
     80 -5.27090000E+00  3.57430000E+00  5.89660000E+00  2.72068204E+04 -1.61680433E+04  1.83081052E+04
     81 -4.98790000E+00  2.24180000E+00  6.79780000E+00  1.87906354E+04  2.97570594E+04 -1.19424150E+04
     82 -4.07620000E+00  5.40280000E+00  4.83410000E-01  4.02660171E+03  2.27679651E+04  3.17515871E+04
     83 -4.58150000E+00  6.26060000E+00  5.77700000E-01  1.37456228E+04 -2.90121472E+04 -4.29122308E+03
     84 -3.52450000E+00  5.24860000E+00  1.30300000E+00 -1.83550604E+04  3.16303130E+03 -2.53821322E+04
     85 -4.38230000E+00 -6.13830000E+00 -7.21710000E+00 -6.45578179E+03  2.73996122E+04 -3.53761958E+04
     86 -4.11530000E+00 -6.22930000E+00 -8.17650000E+00 -9.74759540E+03  2.86902479E+02  3.69401139E+04
     87 -4.91830000E+00 -5.30260000E+00 -7.09750000E+00  1.61458190E+04 -2.73276903E+04 -2.85461193E+02
     88 -2.40310000E+00  2.67740000E+00  4.63280000E+00 -4.20499728E+04  5.90019047E+03  6.56552338E+03
     89 -2.82760000E+00  3.14360000E+00  5.40890000E+00  1.53764855E+04 -1.81338442E+04 -2.57225280E+04
     90 -3.10690000E+00  2.20780000E+00  4.09980000E+00  2.61526512E+04  1.41343933E+04  1.83957630E+04
     91  1.53620000E+00  1.99450000E+00 -2.45920000E+00 -1.56275791E+04  3.19536768E+04  2.10681558E+04
     92  1.76660000E+00  2.96300000E+00 -2.55370000E+00 -5.97941296E+03 -3.52742007E+04 -6.12662653E+01
     93  8.05880000E-01  1.88940000E+00 -1.78420000E+00  2.57543452E+04 -6.97931364E+02 -2.50508900E+04
     94 -2.59790000E+00  4.75810000E+00  2.85500000E+00  3.87811401E+04 -7.34114473E+03  6.10996215E+03
     95 -2.30190000E+00  3.98220000E+00  3.41200000E+00 -1.16580506E+04  2.39786865E+04 -1.66286319E+04
     96 -1.80140000E+00  5.30030000E+00  2.58760000E+00 -2.92450349E+04 -1.76697749E+04  1.13064831E+04
     97 -1.16110000E+00 -7.50380000E+00 -2.48530000E+00 -3.31612754E+04 -2.36174484E+04  5.40352239E+03
     98 -1.41350000E+00 -8.31600000E+00 -3.01110000E+00  1.09791324E+04  2.71001888E+04  1.57739619E+04
     99 -1.79270000E+00 -7.39340000E+00 -1.71780000E+00  1.84199294E+04  1.49323164E+03 -2.30830045E+04
    100  2.70880000E+00  7.07330000E+00  2.08590000E+00  4.24326649E+04 -1.43603224E+04  7.47421899E+03
    101  3.04950000E+00  6.15900000E+00  2.30500000E+00 -1.20382437E+04  2.91215621E+04 -7.13866125E+03
    102  3.46260000E+00  7.72920000E+00  2.12750000E+00 -2.93902657E+04 -1.85498915E+04  5.04100795E+02
    103  5.69740000E+00 -5.33250000E-01  2.26670000E+00 -4.57400905E+04  9.05983363E+03 -1.51164547E+03
    104  5.27970000E+00  3.46720000E-01  2.49290000E+00  1.73606533E+04 -3.16503383E+04 -7.28265569E+03
    105  4.98820000E+00 -1.17320000E+00  1.97090000E+00  2.58574816E+04  2.32319198E+04  9.45189358E+03
    106  3.67660000E+00  4.10500000E+00 -3.38610000E+00 -7.03848419E+03  5.80813820E+03 -3.81152700E+04
    107  3.36870000E+00  4.97670000E+00 -3.76740000E+00  1.09340887E+04 -2.68589699E+04  1.47884082E+04
    108  3.77590000E+00  3.43530000E+00 -4.12210000E+00 -2.40464681E+03  2.25023926E+04  2.53577571E+04
    109 -2.16300000E+00 -7.41130000E+00 -6.42220000E+00 -2.01349729E+04  3.27996332E+04 -1.58726810E+04
    110 -3.15070000E+00 -7.31080000E+00 -6.54190000E+00  3.18857008E+04 -2.10232043E+03  3.67680003E+03
    111 -1.69860000E+00 -6.60530000E+00 -6.78910000E+00 -1.38975448E+04 -2.92971265E+04  1.34280418E+04
    112 -3.10580000E+00 -6.72420000E+00 -9.60020000E-01 -2.06308436E+04  4.82010850E+03  3.22367296E+04
    113 -2.83160000E+00 -6.16200000E+00 -1.79770000E-01 -7.61543721E+03 -1.81360025E+04 -2.92042582E+04
    114 -4.03570000E+00 -7.06310000E+00 -8.16870000E-01  2.90074924E+04  1.21172353E+04 -5.04929838E+03
    115  8.34080000E+00 -6.29530000E+00  4.14430000E+00 -2.23777670E+04  1.97824124E+04  2.79110611E+04
    116  7.34230000E+00 -6.24260000E+00  4.12900000E+00  3.31771242E+04 -4.65345820E+03 -1.75860363E+03
    117 -8.50570000E+00 -5.76130000E+00  4.91350000E+00 -9.85088737E+03 -2.07067419E+04 -2.82329527E+04
    118  7.43000000E+00 -3.00880000E+00  2.85920000E+00 -1.74590114E+04  3.18784942E+04 -2.15623137E+04
    119  7.79430000E+00 -2.60860000E+00  2.01820000E+00 -1.17927453E+04 -1.46712695E+04  2.59323027E+04
    120  6.54650000E+00 -2.59160000E+00  3.07190000E+00  3.28178886E+04 -1.57614079E+04 -6.47580186E+03
    121 -2.46690000E+00  3.13660000E+00 -3.16110000E+00  3.27492338E+04  1.46050743E+04  2.31626640E+04
    122 -2.57830000E+00  3.15200000E+00 -2.16740000E+00  1.44799265E+02 -2.26921836E+03 -3.08022203E+04
    123 -1.54970000E+00  3.45580000E+00 -3.39920000E+00 -3.27768961E+04 -1.21300934E+04  7.34328020E+03
    124  1.57900000E+00  6.92390000E-01 -4.87130000E+00  2.10546523E+04 -9.97268879E+03  3.43998184E+04
    125  1.91520000E+00 -2.23050000E-01 -4.65010000E+00 -1.19393619E+04  2.78821414E+04 -7.86941916E+03
    126  1.74920000E+00  1.30590000E+00 -4.10020000E+00 -1.03239250E+04 -1.92703159E+04 -2.35308616E+04
    127  6.72890000E+00  2.12520000E+00 -2.68010000E+00 -1.63931698E+04 -3.12371774E+04  1.69919795E+04
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