Number of particles = 272 A = 1 Angstrom (basic length-scale) H0(1,1) = 11.7702 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 67.127 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 4.03454 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 0.101069 0.00427713 0.5 145 55.845 4.96427 -4.01774 55.845000 Fe 0.182235 0.0545155 3.12157e-16 152 55.845 0.175824 -3.98571 55.845000 Fe 0.209305 0.0207081 2.10738e-16 157 55.845 2.7985 -3.65319 55.845000 Fe 0.301381 0.0294725 0.5 158 55.845 6.44662 -3.94321 55.845000 Fe 0.0958098 0.0397637 0.5 159 55.845 0.352826 -4.02751 55.845000 Fe 0.00365147 0.0217127 2.09126e-16 141 55.845 10.7055 -4.09961 55.845000 Fe 0.601069 0.00427713 2.32237e-16 137 55.845 4.96427 -4.01774 55.845000 Fe 0.385954 0.00150699 2.31054e-16 156 55.845 13.5562 -4.10841 55.845000 Fe 0.59581 0.0397637 1.36192e-16 172 55.845 0.352826 -4.02751 55.845000 Fe 0.389232 0.0442763 2.3874e-16 173 55.845 3.802 -4.11491 55.845000 Fe 0.503651 0.0217127 0.5 176 55.845 10.7055 -4.09961 55.845000 Fe 0.682235 0.0545155 0.5 144 55.845 0.175824 -3.98571 55.845000 Fe 0.709305 0.0207081 0.5 138 55.845 2.7985 -3.65319 55.845000 Fe 0.801381 0.0294725 1 142 55.845 6.44662 -3.94321 55.845000 Fe 0.889232 0.0442763 0.5 143 55.845 3.802 -4.11491 55.845000 Fe 0.885954 0.00150699 0.5 146 55.845 13.5562 -4.10841 55.845000 Fe 0.0643635 0.0752843 0.5 154 55.845 0.0267436 -4.11071 55.845000 Fe 0.152957 0.0899504 1.9139e-16 169 55.845 0.0197538 -4.09308 55.845000 Fe 0.241621 0.103938 0.5 170 55.845 0.00350463 -4.12373 55.845000 Fe 0.272425 0.0671728 0.5 175 55.845 0.0420526 -4.11906 55.845000 Fe 0.652957 0.0899504 0.5 140 55.845 0.0197538 -4.09308 55.845000 Fe 0.359157 0.0816693 2.23906e-16 168 55.845 0.0193858 -4.12808 55.845000 Fe 0.476221 0.0596024 0.5 174 55.845 0.0346713 -4.12555 55.845000 Fe 0.564364 0.0752843 1.44039e-16 192 55.845 0.0267436 -4.11071 55.845000 Fe 0.446989 0.0965226 0.5 193 55.845 0.00377477 -4.13125 55.845000 Fe 0.772425 0.0671728 1.58604e-16 139 55.845 0.0420526 -4.11906 55.845000 Fe 0.946989 0.0965226 2.26324e-16 148 55.845 0.00377477 -4.13125 55.845000 Fe 0.741621 0.103938 1.07331e-16 149 55.845 0.00350463 -4.12373 55.845000 Fe 0.976221 0.0596024 5.35848e-17 153 55.845 0.0346713 -4.12555 55.845000 Fe 0.859157 0.0816693 0.5 155 55.845 0.0193858 -4.12808 55.845000 Fe 0.035092 0.111499 0.5 171 55.845 0.00295729 -4.11972 55.845000 Fe 0.123428 0.126119 2.82435e-16 164 55.845 0.00229102 -4.11436 55.845000 Fe 0.299802 0.155085 3.81973e-16 184 55.845 0.000285142 -4.12399 55.845000 Fe 0.0938443 0.162502 1.99021e-16 185 55.845 0.000295938 -4.11996 55.845000 Fe 0.329449 0.118476 1.68494e-16 189 55.845 0.00240483 -4.12645 55.845000 Fe 0.211772 0.140511 0.5 191 55.845 0.00036365 -4.12271 55.845000 Fe 0.00564103 0.147889 0.5 166 55.845 0.000309915 -4.12174 55.845000 Fe 0.535092 0.111499 9.35718e-17 188 55.845 0.00295729 -4.11972 55.845000 Fe 0.623428 0.126119 0.5 151 55.845 0.00229102 -4.11436 55.845000 Fe 0.417502 0.133162 0.5 190 55.845 0.000481642 -4.1257 55.845000 Fe 0.505641 0.147889 1.70052e-16 208 55.845 0.000309915 -4.12174 55.845000 Fe 0.593844 0.162502 0.5 209 55.845 0.000295938 -4.11996 55.845000 Fe 0.711772 0.140511 9.57217e-17 147 55.845 0.00036365 -4.12271 55.845000 Fe 0.829449 0.118476 0.5 150 55.845 0.00240483 -4.12645 55.845000 Fe 0.917502 0.133162 2.46049e-16 165 55.845 0.000481642 -4.1257 55.845000 Fe 0.799802 0.155085 0.5 167 55.845 0.000285142 -4.12399 55.845000 Fe 0.0638173 0.198943 2.74158e-16 180 55.845 7.02956e-05 -4.12156 55.845000 Fe 0.181992 0.177032 0.5 186 55.845 9.4227e-05 -4.12249 55.845000 Fe 0.269919 0.191611 2.42448e-16 205 55.845 0.000106253 -4.12276 55.845000 Fe 0.151617 0.213522 0.5 207 55.845 1.24331e-05 -4.12213 55.845000 Fe 0.651617 0.213522 4.19219e-18 160 55.845 1.24331e-05 -4.12213 55.845000 Fe 0.475921 0.184349 9.01321e-17 204 55.845 0.00011049 -4.1221 55.845000 Fe 0.357707 0.206219 0.5 206 55.845 3.81043e-05 -4.12281 55.845000 Fe 0.387867 0.169712 0.5 210 55.845 0.00010221 -4.12378 55.845000 Fe 0.445471 0.220812 3.54724e-18 224 55.845 1.69424e-06 -4.12189 55.845000 Fe 0.563817 0.198943 0.5 227 55.845 7.02956e-05 -4.12156 55.845000 Fe 0.681992 0.177032 7.66418e-17 162 55.845 9.4227e-05 -4.12249 55.845000 Fe 0.887867 0.169712 2.726e-16 161 55.845 0.00010221 -4.12378 55.845000 Fe 0.769919 0.191611 0.5 163 55.845 0.000106253 -4.12276 55.845000 Fe 0.857707 0.206219 3.65473e-18 181 55.845 3.81043e-05 -4.12281 55.845000 Fe 0.945471 0.220812 0.5 182 55.845 1.69424e-06 -4.12189 55.845000 Fe 0.975921 0.184349 0.5 187 55.845 0.00011049 -4.1221 55.845000 Fe 0.239368 0.228092 2.27453e-16 200 55.845 2.12809e-05 -4.12238 55.845000 Fe 0.0331912 0.235405 5.54659e-17 201 55.845 2.47864e-05 -4.12215 55.845000 Fe 0.121005 0.24999 0.5 202 55.845 5.52853e-05 -4.1221 55.845000 Fe 0.208959 0.26457 1.9139e-16 221 55.845 5.27732e-05 -4.12265 55.845000 Fe 0.327085 0.2427 0.5 226 55.845 4.52655e-05 -4.12253 55.845000 Fe 0.00294251 0.27187 2.06223e-16 196 55.845 3.58735e-05 -4.12226 55.845000 Fe 0.621005 0.24999 3.27851e-18 178 55.845 5.52853e-05 -4.1221 55.845000 Fe 0.414974 0.257282 1.35225e-16 220 55.845 4.79302e-05 -4.12221 55.845000 Fe 0.533191 0.235405 0.5 225 55.845 2.47864e-05 -4.12215 55.845000 Fe 0.502943 0.27187 0.5 244 55.845 3.58735e-05 -4.12226 55.845000 Fe 0.827085 0.2427 6.97086e-17 177 55.845 4.52655e-05 -4.12253 55.845000 Fe 0.708959 0.26457 0.5 179 55.845 5.27732e-05 -4.12265 55.845000 Fe 0.739368 0.228092 0.5 183 55.845 2.12809e-05 -4.12238 55.845000 Fe 0.914974 0.257282 0.5 203 55.845 4.79302e-05 -4.12221 55.845000 Fe 0.179115 0.301057 2.06062e-16 216 55.845 8.29107e-06 -4.12262 55.845000 Fe 0.0612302 0.322956 0.5 218 55.845 4.63785e-06 -4.12252 55.845000 Fe 0.296934 0.279179 0.5 222 55.845 3.52029e-05 -4.12257 55.845000 Fe 0.0909868 0.286468 0.5 223 55.845 1.28246e-05 -4.12234 55.845000 Fe 0.267186 0.315666 0.5 243 55.845 1.16243e-05 -4.12283 55.845000 Fe 0.355231 0.330269 1.92464e-16 236 55.845 3.62359e-05 -4.12245 55.845000 Fe 0.590987 0.286468 2.15199e-16 240 55.845 1.28246e-05 -4.12234 55.845000 Fe 0.385047 0.293765 2.5696e-16 241 55.845 4.91445e-06 -4.12247 55.845000 Fe 0.473183 0.308341 0.5 242 55.845 2.43566e-05 -4.12186 55.845000 Fe 0.56123 0.322956 3.7375e-16 259 55.845 4.63785e-06 -4.12252 55.845000 Fe 0.679115 0.301057 0.5 199 55.845 8.29107e-06 -4.12262 55.845000 Fe 0.767186 0.315666 2.64323e-16 194 55.845 1.16243e-05 -4.12283 55.845000 Fe 0.796934 0.279179 6.54089e-17 197 55.845 3.52029e-05 -4.12257 55.845000 Fe 0.885047 0.293765 0.5 198 55.845 4.91445e-06 -4.12247 55.845000 Fe 0.973183 0.308341 3.22154e-16 217 55.845 2.43566e-05 -4.12186 55.845000 Fe 0.855231 0.330269 0.5 219 55.845 3.62359e-05 -4.12245 55.845000 Fe 0.119703 0.374098 3.22476e-18 232 55.845 0.000128608 -4.12351 55.845000 Fe 0.149354 0.337568 2.14608e-16 237 55.845 1.62512e-05 -4.12284 55.845000 Fe 0.237434 0.352187 0.5 238 55.845 6.70725e-05 -4.12338 55.845000 Fe 0.0315053 0.359446 0.5 239 55.845 4.77326e-05 -4.12276 55.845000 Fe 0.325472 0.366791 3.57411e-17 256 55.845 0.000243917 -4.12282 55.845000 Fe 0.207777 0.388747 0.5 258 55.845 0.000538379 -4.12497 55.845000 Fe 0.649354 0.337568 0.5 195 55.845 1.62512e-05 -4.12284 55.845000 Fe 0.619703 0.374098 0.5 215 55.845 0.000128608 -4.12351 55.845000 Fe 0.531505 0.359446 2.39277e-16 255 55.845 4.77326e-05 -4.12276 55.845000 Fe 0.413796 0.381248 0.5 257 55.845 0.00109206 -4.11698 55.845000 Fe 0.443399 0.344817 0.5 260 55.845 0.000139314 -4.12074 55.845000 Fe 0.943399 0.344817 2.0746e-16 212 55.845 0.000139314 -4.12074 55.845000 Fe 0.737434 0.352187 2.34816e-16 213 55.845 6.70725e-05 -4.12338 55.845000 Fe 0.825472 0.366791 0.5 214 55.845 0.000243917 -4.12282 55.845000 Fe 0.913796 0.381248 1.07385e-16 233 55.845 0.00109206 -4.11698 55.845000 Fe 0.707777 0.388747 2.32129e-16 211 55.845 0.000538379 -4.12497 55.845000 Fe 0.29572 0.403366 3.76222e-18 251 55.845 0.00235386 -4.12447 55.845000 Fe 0.0901721 0.410673 2.58626e-16 252 55.845 0.00102944 -4.12471 55.845000 Fe 0.178039 0.42541 0.5 253 55.845 0.00444509 -4.12994 55.845000 Fe 0.265376 0.440098 2.28743e-16 265 55.845 0.0264962 -4.12295 55.845000 Fe 0.00196296 0.395923 0.5 234 55.845 0.000408393 -4.12376 55.845000 Fe 0.472283 0.43237 1.75481e-16 264 55.845 0.00307082 -4.12656 55.845000 Fe 0.501963 0.395923 1.61561e-16 268 55.845 0.000408393 -4.12376 55.845000 Fe 0.590172 0.410673 0.5 269 55.845 0.00102944 -4.12471 55.845000 Fe 0.384283 0.417521 0.5 270 55.845 0.0106861 -4.10198 55.845000 Fe 0.678039 0.42541 2.26324e-16 230 55.845 0.00444509 -4.12994 55.845000 Fe 0.884283 0.417521 3.5854e-16 229 55.845 0.0106861 -4.10198 55.845000 Fe 0.765376 0.440098 0.5 231 55.845 0.0264962 -4.12295 55.845000 Fe 0.79572 0.403366 0.5 235 55.845 0.00235386 -4.12447 55.845000 Fe 0.972283 0.43237 0.5 254 55.845 0.00307082 -4.12656 55.845000 Fe 0.32852 0.487527 0.5 10 55.845 1.14682 -3.7647 55.845000 Fe 0.0606275 0.447332 3.93367e-16 247 55.845 0.00891397 -4.12386 55.845000 Fe 0.232154 0.477315 3.95947e-16 261 55.845 5.63601 -3.97968 55.845000 Fe 0.0309603 0.484315 2.1622e-16 262 55.845 0.100462 -3.99676 55.845000 Fe 0.147935 0.462372 0.5 267 55.845 0.0622906 -4.11665 55.845000 Fe 0.560627 0.447332 0.5 7 55.845 0.00891397 -4.12386 55.845000 Fe 0.647935 0.462372 1.39202e-16 228 55.845 0.0622906 -4.11665 55.845000 Fe 0.354671 0.453243 0.5 266 55.845 0.107339 -4.03924 55.845000 Fe 0.443138 0.468729 3.18821e-16 271 55.845 0.0622394 -4.12158 55.845000 Fe 0.53096 0.484315 0.5 272 55.845 0.100462 -3.99676 55.845000 Fe 0.82852 0.487527 2.72546e-16 245 55.845 1.14682 -3.7647 55.845000 Fe 0.854671 0.453243 1.55648e-16 248 55.845 0.107339 -4.03924 55.845000 Fe 0.943138 0.468729 0.5 249 55.845 0.0622394 -4.12158 55.845000 Fe 0.732154 0.477315 0.5 250 55.845 5.63601 -3.97968 55.845000 Fe 0.290709 0.520755 0.5 1 55.845 2.80258 -3.65291 55.845000 Fe 0.198758 0.529517 1.18779e-17 5 55.845 6.42951 -3.94329 55.845000 Fe 0.111013 0.544292 0.5 6 55.845 3.79703 -4.11458 55.845000 Fe 0.113921 0.501558 0.5 263 55.845 13.5578 -4.10821 55.845000 Fe 0.318019 0.554531 0.5 9 55.845 0.175931 -3.98582 55.845000 Fe 0.404419 0.539776 2.36375e-16 22 55.845 0.346834 -4.02717 55.845000 Fe 0.398904 0.5043 2.19284e-16 23 55.845 4.96876 -4.01801 55.845000 Fe 0.611013 0.544292 3.1608e-16 25 55.845 3.79703 -4.11458 55.845000 Fe 0.496364 0.521755 0.5 27 55.845 10.6887 -4.10018 55.845000 Fe 0.613921 0.501558 2.15951e-16 246 55.845 13.5578 -4.10821 55.845000 Fe 0.996364 0.521755 2.04934e-16 2 55.845 10.6887 -4.10018 55.845000 Fe 0.898904 0.5043 0.5 3 55.845 4.96876 -4.01801 55.845000 Fe 0.818019 0.554531 3.10652e-16 11 55.845 0.175931 -3.98582 55.845000 Fe 0.790709 0.520755 3.23014e-16 12 55.845 2.80258 -3.65291 55.845000 Fe 0.698758 0.529517 0.5 13 55.845 6.42951 -3.94329 55.845000 Fe 0.904419 0.539776 0.5 17 55.845 0.346834 -4.02717 55.845000 Fe 0.227852 0.567197 1.901e-16 4 55.845 0.0405656 -4.11907 55.845000 Fe 0.0533552 0.596516 3.02106e-16 14 55.845 0.00390604 -4.13138 55.845000 Fe 0.0240611 0.559614 2.52606e-18 15 55.845 0.0348262 -4.12589 55.845000 Fe 0.258775 0.603941 4.44211e-16 19 55.845 0.00324825 -4.12342 55.845000 Fe 0.141108 0.581664 0.5 21 55.845 0.0196458 -4.12812 55.845000 Fe 0.347345 0.589953 0.5 8 55.845 0.0200262 -4.09321 55.845000 Fe 0.641108 0.581664 1.64732e-16 24 55.845 0.0196458 -4.12812 55.845000 Fe 0.524061 0.559614 0.5 26 55.845 0.0348262 -4.12589 55.845000 Fe 0.43591 0.575283 3.54831e-16 41 55.845 0.0259664 -4.11069 55.845000 Fe 0.553355 0.596516 0.5 45 55.845 0.00390604 -4.13138 55.845000 Fe 0.93591 0.575283 0.5 16 55.845 0.0259664 -4.11069 55.845000 Fe 0.847345 0.589953 4.02558e-16 29 55.845 0.0200262 -4.09321 55.845000 Fe 0.758775 0.603941 0.5 30 55.845 0.00324825 -4.12342 55.845000 Fe 0.727852 0.567197 0.5 31 55.845 0.0405656 -4.11907 55.845000 Fe 0.288877 0.640491 4.10082e-16 18 55.845 0.000340793 -4.12251 55.845000 Fe 0.171026 0.618462 0.5 20 55.845 0.00236042 -4.12647 55.845000 Fe 0.0830986 0.633142 3.92185e-16 33 55.845 0.000478492 -4.1256 55.845000 Fe 0.200905 0.65506 0.5 39 55.845 0.000246609 -4.12406 55.845000 Fe 0.465341 0.611478 3.87294e-16 40 55.845 0.00272524 -4.11968 55.845000 Fe 0.583099 0.633142 0.5 44 55.845 0.000478492 -4.1256 55.845000 Fe 0.495054 0.647859 3.92023e-16 57 55.845 0.0002792 -4.12183 55.845000 Fe 0.406881 0.662469 0.5 58 55.845 0.000255384 -4.11994 55.845000 Fe 0.377109 0.626098 0.5 59 55.845 0.00228241 -4.11436 55.845000 Fe 0.965341 0.611478 0.5 35 55.845 0.00272524 -4.11968 55.845000 Fe 0.995054 0.647859 0.5 34 55.845 0.0002792 -4.12183 55.845000 Fe 0.877109 0.626098 3.50048e-16 28 55.845 0.00228241 -4.11436 55.845000 Fe 0.700905 0.65506 4.96452e-16 42 55.845 0.000246609 -4.12406 55.845000 Fe 0.671026 0.618462 4.77265e-16 43 55.845 0.00236042 -4.12647 55.845000 Fe 0.906881 0.662469 3.17155e-16 47 55.845 0.000255384 -4.11994 55.845000 Fe 0.788877 0.640491 0.5 49 55.845 0.000340793 -4.12251 55.845000 Fe 0.112838 0.669681 2.22938e-16 32 55.845 6.68545e-05 -4.12358 55.845000 Fe 0.230745 0.691587 0.5 38 55.845 3.69027e-05 -4.12288 55.845000 Fe 0.142793 0.706185 5.3746e-17 51 55.845 1.68629e-05 -4.12278 55.845000 Fe 0.0548725 0.720792 0.5 52 55.845 3.79142e-06 -4.12218 55.845000 Fe 0.0247756 0.68432 0.5 53 55.845 5.36927e-05 -4.12228 55.845000 Fe 0.318713 0.677 1.83543e-16 37 55.845 5.51099e-05 -4.12252 55.845000 Fe 0.348817 0.713492 3.10921e-16 36 55.845 4.61018e-06 -4.12238 55.845000 Fe 0.524776 0.68432 2.38901e-16 56 55.845 5.36927e-05 -4.12228 55.845000 Fe 0.642793 0.706185 0.5 62 55.845 1.68629e-05 -4.12278 55.845000 Fe 0.612838 0.669681 0.5 63 55.845 6.68545e-05 -4.12358 55.845000 Fe 0.554872 0.720792 1.7532e-16 75 55.845 3.79142e-06 -4.12218 55.845000 Fe 0.436781 0.698913 0.5 77 55.845 3.01106e-05 -4.12148 55.845000 Fe 0.936781 0.698913 2.94582e-16 46 55.845 3.01106e-05 -4.12148 55.845000 Fe 0.818713 0.677 0.5 48 55.845 5.51099e-05 -4.12252 55.845000 Fe 0.730745 0.691587 2.94259e-16 61 55.845 3.69027e-05 -4.12288 55.845000 Fe 0.848817 0.713492 0.5 67 55.845 4.61018e-06 -4.12238 55.845000 Fe 0.173018 0.742676 1.79888e-16 50 55.845 9.39702e-06 -4.12255 55.845000 Fe 0.291037 0.764567 0.5 54 55.845 2.13536e-05 -4.12258 55.845000 Fe 0.260909 0.72808 0.5 55 55.845 2.29791e-06 -4.12244 55.845000 Fe 0.0850507 0.757273 0.5 71 55.845 1.89818e-05 -4.1223 55.845000 Fe 0.585051 0.757273 8.95946e-17 74 55.845 1.89818e-05 -4.1223 55.845000 Fe 0.466975 0.735384 0.5 76 55.845 4.66431e-06 -4.12207 55.845000 Fe 0.379035 0.74997 1.94668e-16 91 55.845 1.71462e-05 -4.12228 55.845000 Fe 0.497031 0.771864 0.5 95 55.845 2.6017e-05 -4.12216 55.845000 Fe 0.997031 0.771864 2.25733e-16 64 55.845 2.6017e-05 -4.12216 55.845000 Fe 0.760909 0.72808 1.99774e-16 60 55.845 2.29791e-06 -4.12244 55.845000 Fe 0.966975 0.735384 5.86369e-17 65 55.845 4.66431e-06 -4.12207 55.845000 Fe 0.879035 0.74997 0.5 66 55.845 1.71462e-05 -4.12228 55.845000 Fe 0.791037 0.764567 1.90691e-16 79 55.845 2.13536e-05 -4.12258 55.845000 Fe 0.673018 0.742676 0.5 81 55.845 9.39702e-06 -4.12255 55.845000 Fe 0.232601 0.815667 3.68913e-16 68 55.845 8.84642e-06 -4.12279 55.845000 Fe 0.203008 0.77917 3.99064e-16 69 55.845 2.69627e-05 -4.12246 55.845000 Fe 0.114877 0.793762 0.5 70 55.845 1.09208e-05 -4.12253 55.845000 Fe 0.02667 0.808346 3.46393e-16 83 55.845 1.66964e-05 -4.12181 55.845000 Fe 0.144485 0.830272 0.5 89 55.845 2.97889e-05 -4.12254 55.845000 Fe 0.320783 0.801064 0.5 73 55.845 7.44722e-06 -4.12263 55.845000 Fe 0.408938 0.786461 3.10383e-16 90 55.845 1.62522e-05 -4.12249 55.845000 Fe 0.644485 0.830272 7.22346e-17 92 55.845 2.97889e-05 -4.12254 55.845000 Fe 0.614877 0.793762 2.92755e-16 93 55.845 1.09208e-05 -4.12253 55.845000 Fe 0.52667 0.808346 0.5 94 55.845 1.66964e-05 -4.12181 55.845000 Fe 0.438521 0.82296 2.49811e-16 109 55.845 2.72047e-06 -4.12271 55.845000 Fe 0.820783 0.801064 1.2856e-16 78 55.845 7.44722e-06 -4.12263 55.845000 Fe 0.703008 0.77917 0.5 80 55.845 2.69627e-05 -4.12246 55.845000 Fe 0.938521 0.82296 0.5 84 55.845 2.72047e-06 -4.12271 55.845000 Fe 0.908938 0.786461 0.5 85 55.845 1.62522e-05 -4.12249 55.845000 Fe 0.732601 0.815667 0.5 99 55.845 8.84642e-06 -4.12279 55.845000 Fe 0.05629 0.844824 4.19864e-16 82 55.845 0.000137688 -4.12069 55.845000 Fe 0.262251 0.852192 2.33311e-16 87 55.845 5.61126e-05 -4.12342 55.845000 Fe 0.17418 0.866793 0.5 88 55.845 0.000225607 -4.12276 55.845000 Fe 0.0858358 0.881252 2.86735e-16 101 55.845 0.00111904 -4.11719 55.845000 Fe 0.291871 0.888751 8.69611e-17 86 55.845 0.000534941 -4.12499 55.845000 Fe 0.350363 0.837579 0.5 72 55.845 1.96717e-05 -4.12272 55.845000 Fe 0.468161 0.859455 2.79479e-18 108 55.845 3.6289e-05 -4.12291 55.845000 Fe 0.585836 0.881252 0.5 112 55.845 0.00111904 -4.11719 55.845000 Fe 0.55629 0.844824 0.5 113 55.845 0.000137688 -4.12069 55.845000 Fe 0.379933 0.874104 0.5 126 55.845 0.000135143 -4.12334 55.845000 Fe 0.879933 0.874104 3.10222e-16 96 55.845 0.000135143 -4.12334 55.845000 Fe 0.850363 0.837579 2.82059e-16 97 55.845 1.96717e-05 -4.12272 55.845000 Fe 0.762251 0.852192 0.5 98 55.845 5.61126e-05 -4.12342 55.845000 Fe 0.968161 0.859455 0.5 103 55.845 3.6289e-05 -4.12291 55.845000 Fe 0.67418 0.866793 4.62216e-17 111 55.845 0.000225607 -4.12276 55.845000 Fe 0.791871 0.888751 0.5 117 55.845 0.000534941 -4.12499 55.845000 Fe 0.115478 0.917515 2.12512e-16 100 55.845 0.0106922 -4.10183 55.845000 Fe 0.234411 0.940078 0.5 106 55.845 0.0263035 -4.12284 55.845000 Fe 0.20395 0.903356 0.5 107 55.845 0.00219707 -4.12439 55.845000 Fe 0.0275281 0.932363 0.5 121 55.845 0.00297939 -4.12642 55.845000 Fe 0.32173 0.925404 1.83811e-17 105 55.845 0.00443784 -4.12999 55.845000 Fe 0.527528 0.932363 3.62893e-16 123 55.845 0.00297939 -4.12642 55.845000 Fe 0.49768 0.89593 7.09447e-17 124 55.845 0.000358108 -4.12368 55.845000 Fe 0.409528 0.910665 0.5 125 55.845 0.00103731 -4.12468 55.845000 Fe 0.615478 0.917515 0.5 130 55.845 0.0106922 -4.10183 55.845000 Fe 0.99768 0.89593 0.5 102 55.845 0.000358108 -4.12368 55.845000 Fe 0.70395 0.903356 1.75749e-16 110 55.845 0.00219707 -4.12439 55.845000 Fe 0.909528 0.910665 3.44189e-16 115 55.845 0.00103731 -4.12468 55.845000 Fe 0.82173 0.925404 0.5 116 55.845 0.00443784 -4.12999 55.845000 Fe 0.734411 0.940078 4.12662e-16 128 55.845 0.0263035 -4.12284 55.845000 Fe 0.171326 0.987509 1.76717e-16 118 55.845 1.14344 -3.76448 55.845000 Fe 0.145119 0.953212 1.90906e-16 119 55.845 0.108166 -4.03946 55.845000 Fe 0.0566772 0.968704 0.5 120 55.845 0.0629476 -4.1219 55.845000 Fe 0.267657 0.977295 0.5 122 55.845 5.63226 -3.97985 55.845000 Fe 0.351871 0.962355 1.33236e-16 104 55.845 0.0623675 -4.11674 55.845000 Fe 0.645119 0.953212 0.5 129 55.845 0.108166 -4.03946 55.845000 Fe 0.556677 0.968704 3.36988e-16 133 55.845 0.0629476 -4.1219 55.845000 Fe 0.468878 0.984282 0.5 134 55.845 0.0994278 -3.99661 55.845000 Fe 0.439155 0.947311 0.5 135 55.845 0.0090793 -4.12395 55.845000 Fe 0.939155 0.947311 4.78071e-16 114 55.845 0.0090793 -4.12395 55.845000 Fe 0.767657 0.977295 2.84155e-16 127 55.845 5.63226 -3.97985 55.845000 Fe 0.968878 0.984282 2.08857e-16 131 55.845 0.0994278 -3.99661 55.845000 Fe 0.851871 0.962355 0.5 132 55.845 0.0623675 -4.11674 55.845000 Fe 0.671326 0.987509 0.5 136 55.845 1.14344 -3.76448