Number of particles = 466 A = 1 Angstrom (basic length-scale) H0(1,1) = 21.7198 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 88.079 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 2.85103 A .NO_VELOCITY. entry_count = 7 auxiliary[0] = id auxiliary[1] = v_mass_metal auxiliary[2] = v_csym_metal auxiliary[3] = v_particle_eng_metal 55.845000 Fe 0.0853409 0.00473924 0.5 242 55.845 5.86215 -3.91353 55.845000 Fe 0.0142075 0.0453702 0.5 249 55.845 0.0252303 -4.10616 55.845000 Fe 0.0480538 0.0245161 1.29145e-16 250 55.845 0.103737 -4.01789 55.845000 Fe 0.135915 0.0332419 0.5 251 55.845 0.0987292 -4.02346 55.845000 Fe 0.171688 0.0130295 3.33129e-16 252 55.845 0.377807 -3.88335 55.845000 Fe 0.263603 0.0167079 0.5 253 55.845 8.45946 -4.08533 55.845000 Fe 0.378216 0.00528946 0.5 254 55.845 5.95359 -4.01064 55.845000 Fe 0.225093 0.0395163 2.66047e-16 266 55.845 0.149237 -4.1396 55.845000 Fe 0.345345 0.0271425 1.21691e-18 268 55.845 0.0758008 -4.00706 55.845000 Fe 0.585341 0.00473924 1.87556e-16 233 55.845 5.86215 -3.91353 55.845000 Fe 0.430281 0.0357779 0.5 269 55.845 0.0179933 -4.09522 55.845000 Fe 0.465167 0.0139736 1.01004e-16 270 55.845 0.0756001 -4.04446 55.845000 Fe 0.548054 0.0245161 0.5 271 55.845 0.103737 -4.01789 55.845000 Fe 0.514207 0.0453702 1.22756e-16 287 55.845 0.0252303 -4.10616 55.845000 Fe 0.671688 0.0130295 0.5 234 55.845 0.377807 -3.88335 55.845000 Fe 0.635915 0.0332419 2.57681e-16 236 55.845 0.0987292 -4.02346 55.845000 Fe 0.725093 0.0395163 0.5 237 55.845 0.149237 -4.1396 55.845000 Fe 0.763603 0.0167079 1.30514e-16 238 55.845 8.45946 -4.08533 55.845000 Fe 0.845345 0.0271425 0.5 239 55.845 0.0758008 -4.00706 55.845000 Fe 0.878216 0.00528946 7.60569e-19 240 55.845 5.95359 -4.01064 55.845000 Fe 0.965167 0.0139736 0.5 241 55.845 0.0756001 -4.04446 55.845000 Fe 0.930281 0.0357779 7.84907e-17 248 55.845 0.0179933 -4.09522 55.845000 Fe 0.0655723 0.0749108 0.5 263 55.845 0.00651046 -4.12183 55.845000 Fe 0.100839 0.0539225 1.13781e-16 264 55.845 0.023873 -4.10445 55.845000 Fe 0.188362 0.0612943 0.5 265 55.845 0.0276532 -4.1462 55.845000 Fe 0.152373 0.0828108 3.11833e-17 281 55.845 0.00620039 -4.14214 55.845000 Fe 0.309164 0.0483942 0.5 267 55.845 0.00222207 -4.09711 55.845000 Fe 0.273597 0.0698332 2.81411e-17 283 55.845 0.000792787 -4.12816 55.845000 Fe 0.358866 0.0785976 0.5 284 55.845 0.000398627 -4.13708 55.845000 Fe 0.394408 0.0572319 2.73653e-16 285 55.845 0.00194452 -4.13902 55.845000 Fe 0.479271 0.0663891 0.5 286 55.845 0.00843458 -4.12419 55.845000 Fe 0.44416 0.087518 1.75691e-16 302 55.845 0.00329617 -4.12856 55.845000 Fe 0.565572 0.0749108 2.0003e-16 304 55.845 0.00651046 -4.12183 55.845000 Fe 0.600839 0.0539225 0.5 235 55.845 0.023873 -4.10445 55.845000 Fe 0.652373 0.0828108 0.5 243 55.845 0.00620039 -4.14214 55.845000 Fe 0.688362 0.0612943 5.18708e-17 244 55.845 0.0276532 -4.1462 55.845000 Fe 0.773597 0.0698332 0.5 245 55.845 0.000792787 -4.12816 55.845000 Fe 0.809164 0.0483942 1.53026e-16 246 55.845 0.00222207 -4.09711 55.845000 Fe 0.894408 0.0572319 0.5 247 55.845 0.00194452 -4.13902 55.845000 Fe 0.858866 0.0785976 1.93032e-16 260 55.845 0.000398627 -4.13708 55.845000 Fe 0.94416 0.087518 0.5 261 55.845 0.00329617 -4.12856 55.845000 Fe 0.979271 0.0663891 5.20229e-17 262 55.845 0.00843458 -4.12419 55.845000 Fe 0.0303015 0.0960331 1 279 55.845 0.00194454 -4.12814 55.845000 Fe 0.116698 0.104208 0.5 280 55.845 0.00149947 -4.1377 55.845000 Fe 0.0811131 0.125556 2.79889e-17 296 55.845 0.000418202 -4.13535 55.845000 Fe 0.166895 0.134015 0.5 297 55.845 0.000306943 -4.13482 55.845000 Fe 0.238039 0.0912596 0.5 282 55.845 0.000976704 -4.13407 55.845000 Fe 0.202479 0.11265 1.52114e-18 298 55.845 0.000662849 -4.13505 55.845000 Fe 0.288014 0.121287 0.5 299 55.845 1.84763e-05 -4.1344 55.845000 Fe 0.32346 0.0999492 1.34621e-16 300 55.845 8.85881e-05 -4.13512 55.845000 Fe 0.373645 0.129941 1.34164e-16 318 55.845 0.000333054 -4.13157 55.845000 Fe 0.530301 0.0960331 0.5 303 55.845 0.00194454 -4.12814 55.845000 Fe 0.581113 0.125556 0.5 255 55.845 0.000418202 -4.13535 55.845000 Fe 0.408957 0.10871 0.5 301 55.845 0.00116872 -4.13021 55.845000 Fe 0.494964 0.117231 4.13749e-17 320 55.845 0.000650502 -4.13097 55.845000 Fe 0.738039 0.0912596 4.5482e-17 258 55.845 0.000976704 -4.13407 55.845000 Fe 0.616698 0.104208 3.21873e-16 256 55.845 0.00149947 -4.1377 55.845000 Fe 0.702479 0.11265 0.5 257 55.845 0.000662849 -4.13505 55.845000 Fe 0.666895 0.134015 2.64222e-16 273 55.845 0.000306943 -4.13482 55.845000 Fe 0.788014 0.121287 1.11043e-16 275 55.845 1.84763e-05 -4.1344 55.845000 Fe 0.82346 0.0999492 0.5 259 55.845 8.85881e-05 -4.13512 55.845000 Fe 0.873645 0.129941 0.5 276 55.845 0.000333054 -4.13157 55.845000 Fe 0.908957 0.10871 1 277 55.845 0.00116872 -4.13021 55.845000 Fe 0.994964 0.117231 0.5 278 55.845 0.000650502 -4.13097 55.845000 Fe 0.0455629 0.146875 0.5 295 55.845 0.000116097 -4.1348 55.845000 Fe 0.0100486 0.168182 8.53358e-17 312 55.845 5.18668e-05 -4.13414 55.845000 Fe 0.0958578 0.176672 0.5 313 55.845 6.24761e-05 -4.13389 55.845000 Fe 0.131392 0.155351 6.9516e-17 314 55.845 0.000120672 -4.13455 55.845000 Fe 0.252554 0.142606 2.07331e-16 316 55.845 7.06098e-06 -4.13372 55.845000 Fe 0.217105 0.163908 0.5 315 55.845 2.13873e-05 -4.13355 55.845000 Fe 0.338243 0.151207 0.5 317 55.845 0.000116701 -4.13298 55.845000 Fe 0.3028 0.17249 3.68115e-17 333 55.845 9.15909e-05 -4.13308 55.845000 Fe 0.388603 0.181005 0.5 334 55.845 4.37467e-05 -4.13294 55.845000 Fe 0.459538 0.13847 0.5 319 55.845 0.000265119 -4.1323 55.845000 Fe 0.595858 0.176672 3.33281e-16 288 55.845 6.24761e-05 -4.13389 55.845000 Fe 0.424104 0.159734 3.63248e-16 335 55.845 0.000110099 -4.13295 55.845000 Fe 0.510049 0.168182 0.5 336 55.845 5.18668e-05 -4.13414 55.845000 Fe 0.545563 0.146875 1.70215e-16 337 55.845 0.000116097 -4.1348 55.845000 Fe 0.752554 0.142606 0.5 274 55.845 7.06098e-06 -4.13372 55.845000 Fe 0.631392 0.155351 0.5 272 55.845 0.000120672 -4.13455 55.845000 Fe 0.717105 0.163908 8.54879e-17 290 55.845 2.13873e-05 -4.13355 55.845000 Fe 0.959538 0.13847 1 294 55.845 0.000265119 -4.1323 55.845000 Fe 0.8028 0.17249 0.5 291 55.845 9.15909e-05 -4.13308 55.845000 Fe 0.838243 0.151207 1 292 55.845 0.000116701 -4.13298 55.845000 Fe 0.924104 0.159734 0.5 293 55.845 0.000110099 -4.13295 55.845000 Fe 0.888603 0.181005 5.93244e-17 310 55.845 4.37467e-05 -4.13294 55.845000 Fe 0.181544 0.185209 2.54791e-16 331 55.845 1.21962e-05 -4.13353 55.845000 Fe 0.0245828 0.219278 0.5 328 55.845 1.11852e-05 -4.13372 55.845000 Fe 0.0602294 0.197977 4.56341e-19 329 55.845 1.79835e-05 -4.13398 55.845000 Fe 0.145941 0.206508 0.5 330 55.845 2.16411e-06 -4.13387 55.845000 Fe 0.267247 0.193772 0.5 332 55.845 3.81423e-05 -4.1329 55.845000 Fe 0.231657 0.21505 1.12564e-16 349 55.845 1.27358e-05 -4.13332 55.845000 Fe 0.317406 0.223571 0.5 350 55.845 2.84317e-05 -4.13367 55.845000 Fe 0.353009 0.202289 2.57529e-16 351 55.845 2.27283e-05 -4.13334 55.845000 Fe 0.47446 0.189476 1.43139e-16 353 55.845 2.25218e-05 -4.13369 55.845000 Fe 0.438838 0.210771 0.5 352 55.845 1.78208e-05 -4.13364 55.845000 Fe 0.560229 0.197977 0.5 354 55.845 1.79835e-05 -4.13398 55.845000 Fe 0.524583 0.219278 9.82655e-17 370 55.845 1.11852e-05 -4.13372 55.845000 Fe 0.681544 0.185209 0.5 289 55.845 1.21962e-05 -4.13353 55.845000 Fe 0.645941 0.206508 3.63096e-16 306 55.845 2.16411e-06 -4.13387 55.845000 Fe 0.731657 0.21505 0.5 307 55.845 1.27358e-05 -4.13332 55.845000 Fe 0.767247 0.193772 2.22999e-16 308 55.845 3.81423e-05 -4.1329 55.845000 Fe 0.97446 0.189476 0.5 311 55.845 2.25218e-05 -4.13369 55.845000 Fe 0.853009 0.202289 0.5 309 55.845 2.27283e-05 -4.13334 55.845000 Fe 0.817406 0.223571 1.51201e-16 325 55.845 2.84317e-05 -4.13367 55.845000 Fe 0.938838 0.210771 1.62001e-16 327 55.845 1.78208e-05 -4.13364 55.845000 Fe 0.110314 0.227806 1.45725e-16 347 55.845 1.1891e-05 -4.13358 55.845000 Fe 0.196005 0.236338 0.5 348 55.845 9.85521e-06 -4.13306 55.845000 Fe 0.0746068 0.249088 0.5 346 55.845 3.59823e-06 -4.13337 55.845000 Fe 0.0388562 0.27038 5.00454e-17 362 55.845 9.84399e-06 -4.13351 55.845000 Fe 0.160279 0.257617 2.20413e-16 364 55.845 7.593e-06 -4.13333 55.845000 Fe 0.24598 0.266132 0.5 365 55.845 2.81232e-05 -4.13355 55.845000 Fe 0.281715 0.244857 2.3243e-16 366 55.845 2.2632e-05 -4.13316 55.845000 Fe 0.367474 0.253343 0.5 367 55.845 1.36408e-05 -4.13296 55.845000 Fe 0.403206 0.232058 1.52114e-19 368 55.845 2.24354e-05 -4.13345 55.845000 Fe 0.574607 0.249088 7.60569e-19 321 55.845 3.59823e-06 -4.13337 55.845000 Fe 0.488918 0.240564 0.5 369 55.845 1.12816e-05 -4.13316 55.845000 Fe 0.453178 0.261851 5.00454e-17 386 55.845 1.41773e-05 -4.1329 55.845000 Fe 0.538856 0.27038 0.5 387 55.845 9.84399e-06 -4.13351 55.845000 Fe 0.610314 0.227806 0.5 305 55.845 1.1891e-05 -4.13358 55.845000 Fe 0.696005 0.236338 3.1305e-16 323 55.845 9.85521e-06 -4.13306 55.845000 Fe 0.660279 0.257617 0.5 322 55.845 7.593e-06 -4.13333 55.845000 Fe 0.781715 0.244857 0.5 324 55.845 2.2632e-05 -4.13316 55.845000 Fe 0.74598 0.266132 1.33556e-16 341 55.845 2.81232e-05 -4.13355 55.845000 Fe 0.903206 0.232058 0.5 326 55.845 2.24354e-05 -4.13345 55.845000 Fe 0.867474 0.253343 9.44627e-17 343 55.845 1.36408e-05 -4.13296 55.845000 Fe 0.953178 0.261851 0.5 344 55.845 1.41773e-05 -4.1329 55.845000 Fe 0.988918 0.240564 1.78886e-16 345 55.845 1.12816e-05 -4.13316 55.845000 Fe 0.124546 0.278912 0.5 363 55.845 1.45317e-05 -4.13367 55.845000 Fe 0.00319935 0.291662 0.5 361 55.845 2.4029e-06 -4.13359 55.845000 Fe 0.0888919 0.300196 1.76756e-16 380 55.845 1.67442e-05 -4.13402 55.845000 Fe 0.174616 0.308707 0.5 381 55.845 5.95246e-05 -4.13403 55.845000 Fe 0.331762 0.274615 1.80407e-16 384 55.845 1.56791e-05 -4.1334 55.845000 Fe 0.210269 0.287424 4.4113e-18 382 55.845 3.0733e-05 -4.13381 55.845000 Fe 0.296074 0.2959 0.5 383 55.845 1.92843e-05 -4.13347 55.845000 Fe 0.26044 0.317165 2.55855e-16 399 55.845 3.38193e-05 -4.13303 55.845000 Fe 0.381856 0.304401 2.77151e-16 401 55.845 4.82393e-05 -4.1335 55.845000 Fe 0.417498 0.283123 0.5 385 55.845 1.8203e-05 -4.13308 55.845000 Fe 0.588892 0.300196 0.5 338 55.845 1.67442e-05 -4.13402 55.845000 Fe 0.467569 0.312953 0.5 402 55.845 1.292e-05 -4.13332 55.845000 Fe 0.503199 0.291662 1.70215e-16 403 55.845 2.4029e-06 -4.13359 55.845000 Fe 0.624546 0.278912 1.69759e-16 339 55.845 1.45317e-05 -4.13367 55.845000 Fe 0.710269 0.287424 0.5 340 55.845 3.0733e-05 -4.13381 55.845000 Fe 0.674616 0.308707 5.25705e-16 356 55.845 5.95246e-05 -4.13403 55.845000 Fe 0.76044 0.317165 0.5 357 55.845 3.38193e-05 -4.13303 55.845000 Fe 0.796074 0.2959 2.50988e-16 358 55.845 1.92843e-05 -4.13347 55.845000 Fe 0.831762 0.274615 0.5 342 55.845 1.56791e-05 -4.1334 55.845000 Fe 0.917498 0.283123 2.24064e-16 360 55.845 1.8203e-05 -4.13308 55.845000 Fe 0.881856 0.304401 0.5 359 55.845 4.82393e-05 -4.1335 55.845000 Fe 0.967569 0.312953 3.33129e-17 378 55.845 1.292e-05 -4.13332 55.845000 Fe 0.0532132 0.321502 0.5 379 55.845 4.15041e-05 -4.13451 55.845000 Fe 0.138907 0.330003 3.10312e-17 397 55.845 0.000128876 -4.13398 55.845000 Fe 0.0174767 0.342807 2.22847e-16 395 55.845 0.000231085 -4.13491 55.845000 Fe 0.103141 0.351279 0.5 396 55.845 0.000225476 -4.1339 55.845000 Fe 0.18903 0.359652 1.14846e-16 414 55.845 0.000242839 -4.13117 55.845000 Fe 0.346232 0.325667 0.5 400 55.845 5.99294e-05 -4.13349 55.845000 Fe 0.224762 0.338425 0.5 398 55.845 0.000130076 -4.13262 55.845000 Fe 0.310541 0.34693 2.17675e-16 416 55.845 0.000146559 -4.13229 55.845000 Fe 0.396132 0.355503 0.5 417 55.845 5.42694e-05 -4.13363 55.845000 Fe 0.553213 0.321502 1.45573e-16 420 55.845 4.15041e-05 -4.13451 55.845000 Fe 0.431913 0.334222 1.44052e-16 418 55.845 4.3329e-05 -4.13339 55.845000 Fe 0.517477 0.342807 0.5 419 55.845 0.000231085 -4.13491 55.845000 Fe 0.638907 0.330003 0.5 355 55.845 0.000128876 -4.13398 55.845000 Fe 0.603141 0.351279 1.67629e-16 372 55.845 0.000225476 -4.1339 55.845000 Fe 0.68903 0.359652 0.5 373 55.845 0.000242839 -4.13117 55.845000 Fe 0.724762 0.338425 3.52904e-17 374 55.845 0.000130076 -4.13262 55.845000 Fe 0.846232 0.325667 9.12683e-18 376 55.845 5.99294e-05 -4.13349 55.845000 Fe 0.810541 0.34693 0.5 375 55.845 0.000146559 -4.13229 55.845000 Fe 0.931913 0.334222 0.5 377 55.845 4.3329e-05 -4.13339 55.845000 Fe 0.896132 0.355503 4.70032e-17 393 55.845 5.42694e-05 -4.13363 55.845000 Fe 0.0672097 0.372566 2.64982e-16 412 55.845 0.000563158 -4.13448 55.845000 Fe 0.153251 0.38085 0.5 413 55.845 0.000742806 -4.12998 55.845000 Fe 0.0312754 0.393856 0.5 411 55.845 0.00172326 -4.13674 55.845000 Fe 0.117551 0.401995 2.26041e-16 430 55.845 0.00197898 -4.12759 55.845000 Fe 0.274803 0.368143 0.5 415 55.845 0.00039001 -4.13095 55.845000 Fe 0.360304 0.376776 1.62458e-16 434 55.845 4.69857e-05 -4.13432 55.845000 Fe 0.239098 0.389339 1.36446e-16 432 55.845 0.00125561 -4.1299 55.845000 Fe 0.324461 0.398078 0.5 433 55.845 5.11129e-05 -4.13533 55.845000 Fe 0.56721 0.372566 0.5 371 55.845 0.000563158 -4.13448 55.845000 Fe 0.481593 0.364124 1.91207e-16 436 55.845 0.000527159 -4.13444 55.845000 Fe 0.445632 0.385429 0.5 435 55.845 0.000913647 -4.1344 55.845000 Fe 0.40967 0.406774 5.01975e-17 450 55.845 0.00123237 -4.13362 55.845000 Fe 0.531275 0.393856 2.16002e-16 452 55.845 0.00172326 -4.13674 55.845000 Fe 0.774803 0.368143 1.57286e-16 391 55.845 0.00039001 -4.13095 55.845000 Fe 0.653251 0.38085 1.3964e-16 389 55.845 0.000742806 -4.12998 55.845000 Fe 0.617551 0.401995 0.5 388 55.845 0.00197898 -4.12759 55.845000 Fe 0.739098 0.389339 0.5 390 55.845 0.00125561 -4.1299 55.845000 Fe 0.860304 0.376776 0.5 392 55.845 4.69857e-05 -4.13432 55.845000 Fe 0.981593 0.364124 0.5 394 55.845 0.000527159 -4.13444 55.845000 Fe 0.824461 0.398078 1.33252e-16 408 55.845 5.11129e-05 -4.13533 55.845000 Fe 0.90967 0.406774 0.5 409 55.845 0.00123237 -4.13362 55.845000 Fe 0.945632 0.385429 1.08457e-16 410 55.845 0.000913647 -4.1344 55.845000 Fe 0.0818548 0.423076 0.5 429 55.845 0.00642566 -4.12124 55.845000 Fe 0.0462538 0.444008 1.69151e-16 444 55.845 0.0233904 -4.10274 55.845000 Fe 0.132779 0.452532 0.5 445 55.845 0.0267764 -4.10639 55.845000 Fe 0.168042 0.431567 2.2239e-16 446 55.845 0.0091289 -4.12393 55.845000 Fe 0.203538 0.410478 0.5 431 55.845 0.00350898 -4.12771 55.845000 Fe 0.288637 0.41938 2.39275e-16 448 55.845 0.000335732 -4.13667 55.845000 Fe 0.3737 0.42814 0.5 449 55.845 0.00101074 -4.12863 55.845000 Fe 0.252738 0.440717 0.5 447 55.845 0.00181917 -4.13924 55.845000 Fe 0.337763 0.449553 2.40796e-16 459 55.845 0.00166919 -4.09875 55.845000 Fe 0.581855 0.423076 3.81806e-17 404 55.845 0.00642566 -4.12124 55.845000 Fe 0.495201 0.4152 0.5 451 55.845 0.00613773 -4.14085 55.845000 Fe 0.458856 0.436651 4.98933e-17 461 55.845 0.027031 -4.14523 55.845000 Fe 0.546254 0.444008 0.5 462 55.845 0.0233904 -4.10274 55.845000 Fe 0.703538 0.410478 1.39945e-16 406 55.845 0.00350898 -4.12771 55.845000 Fe 0.788637 0.41938 0.5 407 55.845 0.000335732 -4.13667 55.845000 Fe 0.668042 0.431567 0.5 405 55.845 0.0091289 -4.12393 55.845000 Fe 0.632779 0.452532 2.99664e-17 422 55.845 0.0267764 -4.10639 55.845000 Fe 0.752738 0.440717 8.35105e-17 424 55.845 0.00181917 -4.13924 55.845000 Fe 0.995201 0.4152 9.73528e-17 428 55.845 0.00613773 -4.14085 55.845000 Fe 0.8737 0.42814 9.12683e-19 426 55.845 0.00101074 -4.12863 55.845000 Fe 0.837763 0.449553 0.5 425 55.845 0.00166919 -4.09875 55.845000 Fe 0.958856 0.436651 0.5 427 55.845 0.027031 -4.14523 55.845000 Fe 0.0108469 0.464627 0.5 443 55.845 0.0993231 -4.02265 55.845000 Fe 0.0986117 0.473348 2.7776e-16 455 55.845 0.106036 -4.01785 55.845000 Fe 0.0610712 0.493053 0.5 454 55.845 4.70951 -3.91158 55.845000 Fe 0.181322 0.4839 0.5 456 55.845 0.0771163 -4.04487 55.845000 Fe 0.216542 0.462136 2.96622e-16 457 55.845 0.0175388 -4.09704 55.845000 Fe 0.30135 0.470798 0.5 458 55.845 0.0657385 -4.00566 55.845000 Fe 0.268186 0.492562 1.00243e-16 463 55.845 5.92177 -4.00879 55.845000 Fe 0.383014 0.481111 3.85e-16 464 55.845 8.47285 -4.08638 55.845000 Fe 0.421752 0.458369 0.5 460 55.845 5.02671 -4.13844 55.845000 Fe 0.510847 0.464627 1.85731e-16 466 55.845 0.0993231 -4.02265 55.845000 Fe 0.598612 0.473348 0.5 421 55.845 0.106036 -4.01785 55.845000 Fe 0.561071 0.493053 2.25889e-16 437 55.845 4.70951 -3.91158 55.845000 Fe 0.474764 0.484797 0.5 465 55.845 0.372926 -3.88106 55.845000 Fe 0.716542 0.462136 0.5 423 55.845 0.0175388 -4.09704 55.845000 Fe 0.681322 0.4839 1.93489e-16 438 55.845 0.0771163 -4.04487 55.845000 Fe 0.768186 0.492562 0.5 439 55.845 5.92177 -4.00879 55.845000 Fe 0.80135 0.470798 3.01337e-16 440 55.845 0.0657385 -4.00566 55.845000 Fe 0.921752 0.458369 1.00243e-16 442 55.845 5.02671 -4.13844 55.845000 Fe 0.883014 0.481111 0.5 441 55.845 8.47285 -4.08638 55.845000 Fe 0.974764 0.484797 2.60875e-16 453 55.845 0.372926 -3.88106 55.845000 Fe 0.0541924 0.518904 0.5 3 55.845 6.66174 -3.92901 55.845000 Fe 0.144114 0.505996 2.19652e-16 4 55.845 8.01156 -4.14753 55.845000 Fe 0.172632 0.528583 0.5 5 55.845 0.0878399 -4.0405 55.845000 Fe 0.0890648 0.538728 1.39488e-16 16 55.845 0.0760962 -3.99963 55.845000 Fe 0.347161 0.508405 0.5 1 55.845 4.40033 -4.09745 55.845000 Fe 0.258977 0.519756 1.2595e-16 6 55.845 6.49882 -3.98929 55.845000 Fe 0.293199 0.540979 0.5 7 55.845 0.00749612 -4.05296 55.845000 Fe 0.377136 0.531986 2.49314e-16 8 55.845 0.301692 -4.0865 55.845000 Fe 0.442358 0.505698 1.68846e-16 22 55.845 7.98823 -3.98038 55.845000 Fe 0.554192 0.518904 1 24 55.845 6.66174 -3.92901 55.845000 Fe 0.465892 0.526817 0.5 23 55.845 0.246135 -3.92713 55.845000 Fe 0.589065 0.538728 0.5 25 55.845 0.0760962 -3.99963 55.845000 Fe 0.644114 0.505996 0.5 10 55.845 8.01156 -4.14753 55.845000 Fe 0.758977 0.519756 0.5 11 55.845 6.49882 -3.98929 55.845000 Fe 0.672632 0.528583 1 26 55.845 0.0878399 -4.0405 55.845000 Fe 0.793199 0.540979 1.16519e-16 28 55.845 0.00749612 -4.05296 55.845000 Fe 0.942358 0.505698 0.5 2 55.845 7.98823 -3.98038 55.845000 Fe 0.847161 0.508405 2.23455e-16 12 55.845 4.40033 -4.09745 55.845000 Fe 0.965892 0.526817 1.78886e-16 14 55.845 0.246135 -3.92713 55.845000 Fe 0.877136 0.531986 0.5 13 55.845 0.301692 -4.0865 55.845000 Fe 0.12205 0.559587 0.5 17 55.845 0.0161577 -4.11048 55.845000 Fe 0.0347723 0.568147 1.19866e-16 32 55.845 0.0142304 -4.11762 55.845000 Fe 0.000875001 0.54735 0.5 15 55.845 0.0519595 -4.06614 55.845000 Fe 0.0683551 0.589204 0.5 33 55.845 0.00436923 -4.12494 55.845000 Fe 0.155251 0.580639 3.25523e-16 34 55.845 0.00599936 -4.12233 55.845000 Fe 0.207432 0.550142 1.82537e-18 18 55.845 0.00325214 -4.11482 55.845000 Fe 0.326513 0.56265 9.15725e-17 20 55.845 0.00367214 -4.12586 55.845000 Fe 0.240986 0.571537 0.5 19 55.845 0.000800779 -4.13221 55.845000 Fe 0.360614 0.584184 0.5 21 55.845 0.00216128 -4.13598 55.845000 Fe 0.412082 0.554188 0.5 9 55.845 0.0561685 -4.1513 55.845000 Fe 0.500875 0.54735 1.17128e-16 39 55.845 0.0519595 -4.06614 55.845000 Fe 0.534772 0.568147 0.5 40 55.845 0.0142304 -4.11762 55.845000 Fe 0.44687 0.575802 3.53056e-16 55 55.845 0.0114163 -4.14753 55.845000 Fe 0.568355 0.589204 3.16397e-17 57 55.845 0.00436923 -4.12494 55.845000 Fe 0.707432 0.550142 0.5 27 55.845 0.00325214 -4.11482 55.845000 Fe 0.62205 0.559587 1.63522e-16 41 55.845 0.0161577 -4.11048 55.845000 Fe 0.740986 0.571537 4.56341e-19 43 55.845 0.000800779 -4.13221 55.845000 Fe 0.655251 0.580639 0.5 42 55.845 0.00599936 -4.12233 55.845000 Fe 0.826513 0.56265 0.5 29 55.845 0.00367214 -4.12586 55.845000 Fe 0.912082 0.554188 1.93337e-16 30 55.845 0.0561685 -4.1513 55.845000 Fe 0.94687 0.575802 0.5 31 55.845 0.0114163 -4.14753 55.845000 Fe 0.860614 0.584184 2.14328e-16 45 55.845 0.00216128 -4.13598 55.845000 Fe 0.188738 0.601794 0.5 35 55.845 0.00190287 -4.12741 55.845000 Fe 0.015148 0.618647 0.5 48 55.845 0.000575638 -4.13761 55.845000 Fe 0.102091 0.610366 3.16397e-17 49 55.845 0.0014515 -4.12885 55.845000 Fe 0.135742 0.631586 0.5 50 55.845 0.000428989 -4.1311 55.845000 Fe 0.274733 0.592921 3.25523e-16 36 55.845 0.000310388 -4.13382 55.845000 Fe 0.308552 0.614285 0.5 37 55.845 0.000175371 -4.134 55.845000 Fe 0.394696 0.605651 1.0648e-18 38 55.845 0.00101602 -4.13689 55.845000 Fe 0.222347 0.623021 3.2309e-16 51 55.845 0.000649802 -4.13077 55.845000 Fe 0.342269 0.635644 1.57438e-16 53 55.845 0.000134259 -4.13386 55.845000 Fe 0.481129 0.597256 0.5 56 55.845 0.00252381 -4.14072 55.845000 Fe 0.515148 0.618647 1.12564e-16 73 55.845 0.000575638 -4.13761 55.845000 Fe 0.428635 0.627077 0.5 72 55.845 0.000352779 -4.13655 55.845000 Fe 0.602091 0.610366 0.5 58 55.845 0.0014515 -4.12885 55.845000 Fe 0.774733 0.592921 0.5 44 55.845 0.000310388 -4.13382 55.845000 Fe 0.688738 0.601794 1.11347e-16 59 55.845 0.00190287 -4.12741 55.845000 Fe 0.722347 0.623021 0.5 60 55.845 0.000649802 -4.13077 55.845000 Fe 0.635742 0.631586 1.58655e-16 75 55.845 0.000428989 -4.1311 55.845000 Fe 0.894696 0.605651 0.5 46 55.845 0.00101602 -4.13689 55.845000 Fe 0.981129 0.597256 2.84757e-16 47 55.845 0.00252381 -4.14072 55.845000 Fe 0.808552 0.614285 2.03832e-16 61 55.845 0.000175371 -4.134 55.845000 Fe 0.842269 0.635644 0.5 62 55.845 0.000134259 -4.13386 55.845000 Fe 0.928635 0.627077 7.60569e-19 63 55.845 0.000352779 -4.13655 55.845000 Fe 0.0489756 0.639998 5.32398e-17 65 55.845 0.000103083 -4.13588 55.845000 Fe 0.0827404 0.661337 0.5 66 55.845 2.78441e-05 -4.13502 55.845000 Fe 0.16938 0.652856 2.69241e-16 67 55.845 0.000106203 -4.13275 55.845000 Fe 0.255956 0.644302 0.5 52 55.845 0.000245867 -4.13224 55.845000 Fe 0.375959 0.656994 0.5 54 55.845 0.000148454 -4.13435 55.845000 Fe 0.289592 0.665609 1.84818e-16 69 55.845 0.000116076 -4.13274 55.845000 Fe 0.203102 0.674156 0.5 68 55.845 4.02511e-05 -4.13319 55.845000 Fe 0.548976 0.639998 0.5 74 55.845 0.000103083 -4.13588 55.845000 Fe 0.462423 0.648469 9.38542e-17 89 55.845 5.94831e-05 -4.13584 55.845000 Fe 0.58274 0.661337 3.45146e-16 91 55.845 2.78441e-05 -4.13502 55.845000 Fe 0.409758 0.678353 3.57467e-17 71 55.845 8.04573e-05 -4.13469 55.845000 Fe 0.49622 0.66984 0.5 90 55.845 2.42613e-05 -4.13467 55.845000 Fe 0.66938 0.652856 0.5 76 55.845 0.000106203 -4.13275 55.845000 Fe 0.755956 0.644302 6.08455e-19 77 55.845 0.000245867 -4.13224 55.845000 Fe 0.789592 0.665609 0.5 78 55.845 0.000116076 -4.13274 55.845000 Fe 0.703102 0.674156 4.74595e-17 93 55.845 4.02511e-05 -4.13319 55.845000 Fe 0.962423 0.648469 0.5 64 55.845 5.94831e-05 -4.13584 55.845000 Fe 0.875959 0.656994 1.4466e-16 79 55.845 0.000148454 -4.13435 55.845000 Fe 0.909758 0.678353 0.5 80 55.845 8.04573e-05 -4.13469 55.845000 Fe 0.99622 0.66984 1.48767e-16 81 55.845 2.42613e-05 -4.13467 55.845000 Fe 0.0300913 0.691181 0.5 82 55.845 7.68844e-06 -4.13383 55.845000 Fe 0.116584 0.682667 2.38058e-16 83 55.845 3.84381e-06 -4.13427 55.845000 Fe 0.150484 0.703997 0.5 84 55.845 2.42425e-06 -4.1342 55.845000 Fe 0.063996 0.712514 4.50257e-17 99 55.845 1.98486e-05 -4.13379 55.845000 Fe 0.184413 0.725333 1.16823e-16 101 55.845 7.14162e-06 -4.13436 55.845000 Fe 0.323391 0.686931 0.5 70 55.845 2.61415e-05 -4.13325 55.845000 Fe 0.236937 0.695479 1.83906e-16 85 55.845 1.87966e-05 -4.13372 55.845000 Fe 0.357259 0.70826 2.05658e-16 87 55.845 5.33138e-06 -4.13356 55.845000 Fe 0.270846 0.716808 0.5 86 55.845 9.72996e-06 -4.13373 55.845000 Fe 0.443652 0.699709 0.5 105 55.845 1.44252e-05 -4.13473 55.845000 Fe 0.530091 0.691181 1.51962e-16 106 55.845 7.68844e-06 -4.13383 55.845000 Fe 0.563996 0.712514 0.5 107 55.845 1.98486e-05 -4.13379 55.845000 Fe 0.477598 0.721056 2.53422e-16 122 55.845 2.12625e-06 -4.13436 55.845000 Fe 0.616584 0.682667 0.5 92 55.845 3.84381e-06 -4.13427 55.845000 Fe 0.736937 0.695479 0.5 94 55.845 1.87966e-05 -4.13372 55.845000 Fe 0.650484 0.703997 1.68998e-16 108 55.845 2.42425e-06 -4.1342 55.845000 Fe 0.684413 0.725333 0.5 109 55.845 7.14162e-06 -4.13436 55.845000 Fe 0.770846 0.716808 1.36902e-17 110 55.845 9.72996e-06 -4.13373 55.845000 Fe 0.823391 0.686931 1.1226e-16 95 55.845 2.61415e-05 -4.13325 55.845000 Fe 0.857259 0.70826 0.5 96 55.845 5.33138e-06 -4.13356 55.845000 Fe 0.943652 0.699709 9.05077e-17 97 55.845 1.44252e-05 -4.13473 55.845000 Fe 0.977598 0.721056 0.5 98 55.845 2.12625e-06 -4.13436 55.845000 Fe 0.0979577 0.733846 0.5 100 55.845 3.35398e-05 -4.13408 55.845000 Fe 0.0115801 0.742395 1.37055e-16 114 55.845 1.07988e-05 -4.13395 55.845000 Fe 0.131991 0.755186 1.86035e-16 116 55.845 2.27602e-05 -4.13425 55.845000 Fe 0.0456401 0.763729 0.5 115 55.845 6.83514e-06 -4.13414 55.845000 Fe 0.391196 0.729594 0.5 88 55.845 4.57194e-06 -4.13396 55.845000 Fe 0.218403 0.746675 0.5 102 55.845 1.37849e-05 -4.13398 55.845000 Fe 0.304794 0.738138 7.60569e-17 103 55.845 5.99112e-06 -4.13364 55.845000 Fe 0.338814 0.759465 0.5 104 55.845 1.03914e-06 -4.13361 55.845000 Fe 0.252439 0.768009 1.76604e-16 118 55.845 5.35013e-06 -4.13372 55.845000 Fe 0.51158 0.742395 0.5 123 55.845 1.07988e-05 -4.13395 55.845000 Fe 0.597958 0.733846 2.99816e-16 124 55.845 3.35398e-05 -4.13408 55.845000 Fe 0.4252 0.750928 2.23911e-16 138 55.845 2.29876e-06 -4.13378 55.845000 Fe 0.459248 0.77226 0.5 139 55.845 6.50056e-07 -4.13397 55.845000 Fe 0.54564 0.763729 2.49619e-16 140 55.845 6.83514e-06 -4.13414 55.845000 Fe 0.631991 0.755186 0.5 125 55.845 2.27602e-05 -4.13425 55.845000 Fe 0.718403 0.746675 2.8932e-16 126 55.845 1.37849e-05 -4.13398 55.845000 Fe 0.752439 0.768009 0.5 127 55.845 5.35013e-06 -4.13372 55.845000 Fe 0.804794 0.738138 0.5 111 55.845 5.99112e-06 -4.13364 55.845000 Fe 0.891196 0.729594 1.69759e-16 112 55.845 4.57194e-06 -4.13396 55.845000 Fe 0.9252 0.750928 0.5 113 55.845 2.29876e-06 -4.13378 55.845000 Fe 0.838814 0.759465 3.04075e-16 128 55.845 1.03914e-06 -4.13361 55.845000 Fe 0.959248 0.77226 1.2017e-16 130 55.845 6.50056e-07 -4.13397 55.845000 Fe 0.166059 0.776534 0.5 117 55.845 5.83267e-06 -4.13415 55.845000 Fe 0.0797301 0.785074 2.303e-16 132 55.845 1.57012e-05 -4.13449 55.845000 Fe 0.113813 0.80643 0.5 133 55.845 4.4873e-05 -4.13477 55.845000 Fe 0.0274072 0.814929 2.32582e-16 148 55.845 7.02624e-06 -4.13459 55.845000 Fe 0.286499 0.789343 0.5 119 55.845 1.49117e-06 -4.13379 55.845000 Fe 0.372853 0.780794 1.77669e-16 120 55.845 5.11972e-06 -4.1337 55.845000 Fe 0.200139 0.797882 3.97778e-16 134 55.845 3.11973e-06 -4.13434 55.845000 Fe 0.320559 0.81068 1.9212e-16 136 55.845 3.52436e-06 -4.1336 55.845000 Fe 0.406911 0.802123 0.5 121 55.845 1.52771e-05 -4.13357 55.845000 Fe 0.57973 0.785074 0.5 141 55.845 1.57012e-05 -4.13449 55.845000 Fe 0.493319 0.793592 1.7128e-16 155 55.845 3.31521e-06 -4.13422 55.845000 Fe 0.527407 0.814929 0.5 156 55.845 7.02624e-06 -4.13459 55.845000 Fe 0.666059 0.776534 2.47945e-16 142 55.845 5.83267e-06 -4.13415 55.845000 Fe 0.700139 0.797882 0.5 143 55.845 3.11973e-06 -4.13434 55.845000 Fe 0.786499 0.789343 1.49984e-16 144 55.845 1.49117e-06 -4.13379 55.845000 Fe 0.613813 0.80643 1.21691e-18 157 55.845 4.4873e-05 -4.13477 55.845000 Fe 0.872853 0.780794 0.5 129 55.845 5.11972e-06 -4.1337 55.845000 Fe 0.993319 0.793592 0.5 131 55.845 3.31521e-06 -4.13422 55.845000 Fe 0.906911 0.802123 1.90446e-16 146 55.845 1.52771e-05 -4.13357 55.845000 Fe 0.820559 0.81068 0.5 145 55.845 3.52436e-06 -4.1336 55.845000 Fe 0.0615422 0.836274 0.5 149 55.845 1.64656e-05 -4.13489 55.845000 Fe 0.147928 0.827794 2.96774e-16 150 55.845 0.000104255 -4.13473 55.845000 Fe 0.1821 0.849167 0.5 151 55.845 0.000234235 -4.1351 55.845000 Fe 0.0957126 0.857625 2.95101e-17 165 55.845 0.000110268 -4.13565 55.845000 Fe 0.234214 0.819238 0.5 135 55.845 4.70427e-06 -4.13455 55.845000 Fe 0.354599 0.832004 0.5 137 55.845 2.56656e-05 -4.13267 55.845000 Fe 0.268327 0.840596 9.4919e-17 152 55.845 1.04492e-05 -4.13446 55.845000 Fe 0.388635 0.853312 3.14419e-16 154 55.845 0.000160119 -4.13201 55.845000 Fe 0.302471 0.861962 0.5 153 55.845 4.18708e-05 -4.13456 55.845000 Fe 0.440968 0.823441 2.29388e-16 171 55.845 4.89495e-05 -4.13307 55.845000 Fe 0.475042 0.844741 0.5 172 55.845 0.000180557 -4.1326 55.845000 Fe 0.561542 0.836274 2.74565e-16 173 55.845 1.64656e-05 -4.13489 55.845000 Fe 0.595713 0.857625 0.5 174 55.845 0.000110268 -4.13565 55.845000 Fe 0.647928 0.827794 0.5 158 55.845 0.000104255 -4.13473 55.845000 Fe 0.734214 0.819238 1.4679e-16 159 55.845 4.70427e-06 -4.13455 55.845000 Fe 0.768327 0.840596 0.5 160 55.845 1.04492e-05 -4.13446 55.845000 Fe 0.6821 0.849167 9.72007e-17 175 55.845 0.000234235 -4.1351 55.845000 Fe 0.940968 0.823441 0.5 147 55.845 4.89495e-05 -4.13307 55.845000 Fe 0.854599 0.832004 1.27776e-16 161 55.845 2.56656e-05 -4.13267 55.845000 Fe 0.888635 0.853312 0.5 162 55.845 0.000160119 -4.13201 55.845000 Fe 0.975042 0.844741 1.76908e-16 163 55.845 0.000180557 -4.1326 55.845000 Fe 0.802471 0.861962 1.70063e-16 177 55.845 4.18708e-05 -4.13456 55.845000 Fe 0.00911213 0.866022 0.5 164 55.845 0.00054603 -4.13155 55.845000 Fe 0.12995 0.878994 0.5 166 55.845 0.000559143 -4.13744 55.845000 Fe 0.0431629 0.887272 3.38301e-16 181 55.845 0.00153394 -4.1298 55.845000 Fe 0.164295 0.9004 1.68542e-16 183 55.845 0.00246268 -4.1405 55.845000 Fe 0.0772064 0.908465 0.5 182 55.845 0.00430618 -4.12536 55.845000 Fe 0.216324 0.870563 1.01004e-16 167 55.845 0.00051824 -4.13586 55.845000 Fe 0.250618 0.891995 0.5 168 55.845 0.00109761 -4.13661 55.845000 Fe 0.336626 0.883343 7.95555e-17 169 55.845 0.000133251 -4.1349 55.845000 Fe 0.370814 0.904733 0.5 170 55.845 0.00031523 -4.13448 55.845000 Fe 0.422679 0.874599 0.5 188 55.845 0.000590325 -4.13097 55.845000 Fe 0.509112 0.866022 2.79281e-16 189 55.845 0.00054603 -4.13155 55.845000 Fe 0.543163 0.887272 0.5 190 55.845 0.00153394 -4.1298 55.845000 Fe 0.456658 0.895851 2.67112e-16 205 55.845 0.0019245 -4.12831 55.845000 Fe 0.577206 0.908465 1.22452e-16 207 55.845 0.00430618 -4.12536 55.845000 Fe 0.716324 0.870563 0.5 176 55.845 0.00051824 -4.13586 55.845000 Fe 0.62995 0.878994 2.21021e-16 191 55.845 0.000559143 -4.13744 55.845000 Fe 0.664295 0.9004 0.5 192 55.845 0.00246268 -4.1405 55.845000 Fe 0.750618 0.891995 2.11895e-16 193 55.845 0.00109761 -4.13661 55.845000 Fe 0.836626 0.883343 0.5 178 55.845 0.000133251 -4.1349 55.845000 Fe 0.922679 0.874599 1.49224e-16 179 55.845 0.000590325 -4.13097 55.845000 Fe 0.956658 0.895851 0.5 180 55.845 0.0019245 -4.12831 55.845000 Fe 0.870814 0.904733 2.76087e-16 195 55.845 0.00031523 -4.13448 55.845000 Fe 0.0240003 0.938117 0.5 198 55.845 0.0163995 -4.11055 55.845000 Fe 0.111129 0.929549 1.28688e-16 199 55.845 0.0136568 -4.11858 55.845000 Fe 0.198885 0.92187 0.5 184 55.845 0.0109383 -4.1464 55.845000 Fe 0.145249 0.950382 0.5 200 55.845 0.0489032 -4.06801 55.845000 Fe 0.285033 0.913476 1.73562e-16 185 55.845 0.00207972 -4.13585 55.845000 Fe 0.319491 0.935025 0.5 186 55.845 0.00378045 -4.12605 55.845000 Fe 0.233963 0.943482 2.69698e-16 201 55.845 0.0524543 -4.15036 55.845000 Fe 0.404928 0.92614 2.76391e-16 187 55.845 0.000846481 -4.13286 55.845000 Fe 0.490505 0.917036 0.5 206 55.845 0.005903 -4.12255 55.845000 Fe 0.438781 0.947574 0.5 220 55.845 0.00319805 -4.11472 55.845000 Fe 0.524 0.938117 2.90689e-16 221 55.845 0.0163995 -4.11055 55.845000 Fe 0.785033 0.913476 0.5 194 55.845 0.00207972 -4.13585 55.845000 Fe 0.611129 0.929549 0.5 208 55.845 0.0136568 -4.11858 55.845000 Fe 0.698885 0.92187 2.72436e-16 209 55.845 0.0109383 -4.1464 55.845000 Fe 0.733963 0.943482 0.5 210 55.845 0.0524543 -4.15036 55.845000 Fe 0.645249 0.950382 3.51687e-16 223 55.845 0.0489032 -4.06801 55.845000 Fe 0.904928 0.92614 0.5 196 55.845 0.000846481 -4.13286 55.845000 Fe 0.990505 0.917036 1.56677e-16 197 55.845 0.005903 -4.12255 55.845000 Fe 0.819491 0.935025 2.4612e-16 211 55.845 0.00378045 -4.12605 55.845000 Fe 0.938781 0.947574 3.34346e-16 213 55.845 0.00319805 -4.11472 55.845000 Fe 0.0571513 0.959007 2.49923e-16 215 55.845 0.0773759 -3.99972 55.845000 Fe 0.0921832 0.978851 0.5 216 55.845 6.68219 -3.93082 55.845000 Fe 0.18048 0.970935 2.11286e-16 217 55.845 0.241227 -3.92973 55.845000 Fe 0.00221202 0.991808 2.59962e-16 228 55.845 8.02248 -4.14437 55.845000 Fe 0.269157 0.965674 0.5 202 55.845 0.287775 -4.08505 55.845000 Fe 0.353119 0.956712 1.82537e-16 203 55.845 0.0059934 -4.05374 55.845000 Fe 0.387321 0.978001 0.5 204 55.845 6.48704 -3.99006 55.845000 Fe 0.204146 0.992091 0.5 218 55.845 8.00684 -3.98212 55.845000 Fe 0.299278 0.989258 1.72953e-16 219 55.845 4.28251 -4.09376 55.845000 Fe 0.557151 0.959007 0.5 222 55.845 0.0773759 -3.99972 55.845000 Fe 0.473655 0.969177 2.19044e-16 229 55.845 0.0897996 -4.04021 55.845000 Fe 0.502212 0.991808 0.5 230 55.845 8.02248 -4.14437 55.845000 Fe 0.592183 0.978851 2.39579e-16 231 55.845 6.68219 -3.93082 55.845000 Fe 0.68048 0.970935 0.5 224 55.845 0.241227 -3.92973 55.845000 Fe 0.769157 0.965674 2.35928e-16 225 55.845 0.287775 -4.08505 55.845000 Fe 0.704146 0.992091 2.60875e-16 232 55.845 8.00684 -3.98212 55.845000 Fe 0.799278 0.989258 0.5 226 55.845 4.28251 -4.09376 55.845000 Fe 0.853119 0.956712 0.5 212 55.845 0.0059934 -4.05374 55.845000 Fe 0.973655 0.969177 0.5 214 55.845 0.0897996 -4.04021 55.845000 Fe 0.887321 0.978001 2.11286e-16 227 55.845 6.48704 -3.99006