Number of particles = 242 A = 1 Angstrom (basic length-scale) H0(1,1) = 6.28984 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 82.8686 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 5.55591 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 0.352526 0.00607633 7.69335e-16 121 55.845 5.58375 -3.88092 55.845000 Fe 0.352526 0.00607633 0.5 122 55.845 5.58375 -3.88092 55.845000 Fe 0.27765 0.0292469 0.25 123 55.845 0.118477 -3.88123 55.845000 Fe 0.66871 0.0126269 0.25 124 55.845 4.19322 -3.8462 55.845000 Fe 0.27765 0.0292469 0.75 125 55.845 0.118477 -3.88123 55.845000 Fe 0.66871 0.0126269 0.75 126 55.845 4.19322 -3.8462 55.845000 Fe 0.978384 0.0202188 8.09301e-16 129 55.845 0.561433 -3.9236 55.845000 Fe 0.583382 0.0361944 6.39448e-16 130 55.845 0.00923768 -3.99064 55.845000 Fe 0.583382 0.0361944 0.5 131 55.845 0.00923768 -3.99064 55.845000 Fe 0.886177 0.0436809 0.25 133 55.845 0.0254273 -4.00202 55.845000 Fe 0.978384 0.0202188 0.5 137 55.845 0.561433 -3.9236 55.845000 Fe 0.886177 0.0436809 0.75 138 55.845 0.0254273 -4.00202 55.845000 Fe 0.186376 0.0520748 5.89491e-16 127 55.845 0.0224633 -3.97969 55.845000 Fe 0.186376 0.0520748 0.5 134 55.845 0.0224633 -3.97969 55.845000 Fe 0.0961102 0.0750892 0.25 128 55.845 0.00434429 -3.98855 55.845000 Fe 0.491557 0.0594915 0.25 132 55.845 0.00102205 -4.00842 55.845000 Fe 0.0961102 0.0750892 0.75 135 55.845 0.00434429 -3.98855 55.845000 Fe 0.491557 0.0594915 0.75 136 55.845 0.00102205 -4.00842 55.845000 Fe 0.399804 0.0826981 5.64512e-16 139 55.845 0.00030232 -4.0023 55.845000 Fe 0.794755 0.0670457 5.69508e-16 145 55.845 0.00733124 -4.0053 55.845000 Fe 0.794755 0.0670457 0.5 146 55.845 0.00733124 -4.0053 55.845000 Fe 0.70308 0.0903094 0.25 147 55.845 0.00238034 -4.00297 55.845000 Fe 0.399804 0.0826981 0.5 148 55.845 0.00030232 -4.0023 55.845000 Fe 0.70308 0.0903094 0.75 150 55.845 0.00238034 -4.00297 55.845000 Fe 0.00556316 0.0981895 6.69422e-16 140 55.845 0.000936465 -3.99237 55.845000 Fe 0.00556316 0.0981895 0.5 141 55.845 0.000936465 -3.99237 55.845000 Fe 0.917089 0.121388 0.25 142 55.845 0.00212856 -3.99779 55.845000 Fe 0.309047 0.105934 0.25 143 55.845 0.00167942 -3.99987 55.845000 Fe 0.917089 0.121388 0.75 144 55.845 0.00212856 -3.99779 55.845000 Fe 0.309047 0.105934 0.75 149 55.845 0.00167942 -3.99987 55.845000 Fe 0.612838 0.113603 5.94486e-16 153 55.845 0.00297653 -4.00513 55.845000 Fe 0.221979 0.129273 6.54435e-16 154 55.845 0.00135834 -3.99361 55.845000 Fe 0.221979 0.129273 0.5 155 55.845 0.00135834 -3.99361 55.845000 Fe 0.527294 0.137077 0.25 157 55.845 0.00961269 -3.97414 55.845000 Fe 0.612838 0.113603 0.5 161 55.845 0.00297653 -4.00513 55.845000 Fe 0.527294 0.137077 0.75 162 55.845 0.00961269 -3.97414 55.845000 Fe 0.832351 0.14473 3.84668e-16 151 55.845 0.0797281 -3.92619 55.845000 Fe 0.138243 0.15262 0.25 156 55.845 0.352122 -3.92434 55.845000 Fe 0.832351 0.14473 0.5 158 55.845 0.0797281 -3.92619 55.845000 Fe 0.138243 0.15262 0.75 160 55.845 0.352122 -3.92434 55.845000 Fe 0.777215 0.168646 0.25 152 55.845 0.601527 -3.94217 55.845000 Fe 0.777215 0.168646 0.75 159 55.845 0.601527 -3.94217 55.845000 Fe 0.114684 0.177376 9.09214e-16 163 55.845 0.192576 -3.90809 55.845000 Fe 0.452449 0.160622 5.29542e-16 169 55.845 0.62559 -3.94322 55.845000 Fe 0.452449 0.160622 0.5 170 55.845 0.62559 -3.94322 55.845000 Fe 0.114684 0.177376 0.5 172 55.845 0.192576 -3.90809 55.845000 Fe 0.455517 0.186275 0.25 171 55.845 0.0138919 -3.8851 55.845000 Fe 0.455517 0.186275 0.75 174 55.845 0.0138919 -3.8851 55.845000 Fe 0.794587 0.19508 4.44616e-16 164 55.845 0.00992535 -3.88098 55.845000 Fe 0.794587 0.19508 0.5 165 55.845 0.00992535 -3.88098 55.845000 Fe 0.131662 0.203895 0.25 167 55.845 0.0132381 -3.87953 55.845000 Fe 0.131662 0.203895 0.75 173 55.845 0.0132381 -3.87953 55.845000 Fe 0.802262 0.221486 0.25 166 55.845 0.00239196 -3.8781 55.845000 Fe 0.802262 0.221486 0.75 168 55.845 0.00239196 -3.8781 55.845000 Fe 0.467288 0.21266 2.44788e-16 177 55.845 0.00597735 -3.87838 55.845000 Fe 0.13662 0.230247 5.64512e-16 178 55.845 0.00131255 -3.87778 55.845000 Fe 0.13662 0.230247 0.5 179 55.845 0.00131255 -3.87778 55.845000 Fe 0.467288 0.21266 0.5 185 55.845 0.00597735 -3.87838 55.845000 Fe 0.804756 0.247894 1.36882e-15 175 55.845 0.00107197 -3.87846 55.845000 Fe 0.137924 0.256497 0.25 180 55.845 0.00438186 -3.87707 55.845000 Fe 0.470766 0.239053 0.25 181 55.845 0.000301539 -3.87837 55.845000 Fe 0.804756 0.247894 0.5 182 55.845 0.00107197 -3.87846 55.845000 Fe 0.137924 0.256497 0.75 184 55.845 0.00438186 -3.87707 55.845000 Fe 0.470766 0.239053 0.75 186 55.845 0.000301539 -3.87837 55.845000 Fe 0.807584 0.274421 0.25 176 55.845 0.0115257 -3.87931 55.845000 Fe 0.807584 0.274421 0.75 183 55.845 0.0115257 -3.87931 55.845000 Fe 0.140142 0.282605 7.79327e-16 187 55.845 0.0458058 -3.8747 55.845000 Fe 0.473122 0.265471 1.29388e-15 193 55.845 0.00326472 -3.87883 55.845000 Fe 0.473122 0.265471 0.5 194 55.845 0.00326472 -3.87883 55.845000 Fe 0.140142 0.282605 0.5 196 55.845 0.0458058 -3.8747 55.845000 Fe 0.815458 0.301144 4.24633e-16 188 55.845 0.0618668 -3.8885 55.845000 Fe 0.815458 0.301144 0.5 189 55.845 0.0618668 -3.8885 55.845000 Fe 0.14639 0.308396 0.25 191 55.845 0.248583 -3.87321 55.845000 Fe 0.479422 0.292092 0.25 195 55.845 0.0246241 -3.88096 55.845000 Fe 0.14639 0.308396 0.75 197 55.845 0.248583 -3.87321 55.845000 Fe 0.479422 0.292092 0.75 198 55.845 0.0246241 -3.88096 55.845000 Fe 0.818188 0.326938 0.25 190 55.845 0.452893 -3.93564 55.845000 Fe 0.818188 0.326938 0.75 192 55.845 0.452893 -3.93564 55.845000 Fe 0.492303 0.319254 6.5943e-16 201 55.845 0.635712 -3.94096 55.845000 Fe 0.492303 0.319254 0.5 209 55.845 0.635712 -3.94096 55.845000 Fe 0.139429 0.333704 9.4918e-16 202 55.845 0.574209 -3.89879 55.845000 Fe 0.139429 0.333704 0.5 203 55.845 0.574209 -3.89879 55.845000 Fe 0.758875 0.350824 5.99482e-16 199 55.845 0.00859132 -3.95728 55.845000 Fe 0.073255 0.357659 0.25 204 55.845 0.243658 -3.96263 55.845000 Fe 0.447456 0.344077 0.25 205 55.845 0.343863 -3.93196 55.845000 Fe 0.758875 0.350824 0.5 206 55.845 0.00859132 -3.95728 55.845000 Fe 0.073255 0.357659 0.75 208 55.845 0.243658 -3.96263 55.845000 Fe 0.447456 0.344077 0.75 210 55.845 0.343863 -3.93196 55.845000 Fe 0.375554 0.367778 7.24374e-16 217 55.845 0.233917 -3.96285 55.845000 Fe 0.375554 0.367778 0.5 218 55.845 0.233917 -3.96285 55.845000 Fe 0.689989 0.37465 0.25 200 55.845 0.000753728 -4.00409 55.845000 Fe 0.689989 0.37465 0.75 207 55.845 0.000753728 -4.00409 55.845000 Fe 0.00412834 0.381504 4.94573e-16 211 55.845 0.231083 -3.96412 55.845000 Fe 0.00412834 0.381504 0.5 220 55.845 0.231083 -3.96412 55.845000 Fe 0.619312 0.398313 7.6434e-16 212 55.845 0.00158408 -3.9979 55.845000 Fe 0.619312 0.398313 0.5 213 55.845 0.00158408 -3.9979 55.845000 Fe 0.933691 0.405155 0.25 215 55.845 0.264479 -3.95135 55.845000 Fe 0.305081 0.3916 0.25 219 55.845 0.257729 -3.97571 55.845000 Fe 0.933691 0.405155 0.75 221 55.845 0.264479 -3.95135 55.845000 Fe 0.305081 0.3916 0.75 222 55.845 0.257729 -3.97571 55.845000 Fe 0.233497 0.415531 8.34279e-16 225 55.845 0.368973 -3.98588 55.845000 Fe 0.233497 0.415531 0.5 233 55.845 0.368973 -3.98588 55.845000 Fe 0.54877 0.421868 0.25 214 55.845 0.0126342 -3.9886 55.845000 Fe 0.54877 0.421868 0.75 216 55.845 0.0126342 -3.9886 55.845000 Fe 0.862892 0.428643 9.94141e-16 226 55.845 0.362981 -3.93224 55.845000 Fe 0.862892 0.428643 0.5 227 55.845 0.362981 -3.93224 55.845000 Fe 0.480766 0.445273 5.39534e-16 223 55.845 5.50042 -3.94654 55.845000 Fe 0.411639 0.468142 0.25 224 55.845 5.04061 -3.82686 55.845000 Fe 0.793209 0.452213 0.25 228 55.845 0.51766 -3.92748 55.845000 Fe 0.161905 0.439721 0.25 229 55.845 4.54848 -4.00232 55.845000 Fe 0.480766 0.445273 0.5 230 55.845 5.50042 -3.94654 55.845000 Fe 0.411639 0.468142 0.75 231 55.845 5.04061 -3.82686 55.845000 Fe 0.793209 0.452213 0.75 232 55.845 0.51766 -3.92748 55.845000 Fe 0.161905 0.439721 0.75 234 55.845 4.54848 -4.00232 55.845000 Fe 0.092388 0.464618 6.74417e-16 238 55.845 4.51065 -3.98504 55.845000 Fe 0.092388 0.464618 0.5 239 55.845 4.51065 -3.98504 55.845000 Fe 0.416429 0.51409 0.25 1 55.845 5.07463 -3.82765 55.845000 Fe 0.416429 0.51409 0.75 2 55.845 5.07463 -3.82765 55.845000 Fe 0.0974539 0.517946 9.24201e-16 3 55.845 4.49851 -3.99527 55.845000 Fe 0.730864 0.505767 4.49612e-16 4 55.845 5.16028 -3.87063 55.845000 Fe 0.730864 0.505767 0.5 5 55.845 5.16028 -3.87063 55.845000 Fe 0.0974539 0.517946 0.5 11 55.845 4.49851 -3.99527 55.845000 Fe 0.726472 0.476382 7.6434e-16 235 55.845 5.29292 -3.8648 55.845000 Fe 0.368075 0.491155 9.09214e-16 236 55.845 6.70396 -3.7618 55.845000 Fe 0.368075 0.491155 0.5 237 55.845 6.70396 -3.7618 55.845000 Fe 0.0434239 0.49121 0.25 240 55.845 5.26298 -4.02555 55.845000 Fe 0.726472 0.476382 0.5 241 55.845 5.29292 -3.8648 55.845000 Fe 0.0434239 0.49121 0.75 242 55.845 5.26298 -4.02555 55.845000 Fe 0.801149 0.52987 0.25 6 55.845 0.41897 -3.92196 55.845000 Fe 0.490076 0.536912 8.14296e-16 7 55.845 5.51037 -3.95033 55.845000 Fe 0.490076 0.536912 0.5 8 55.845 5.51037 -3.95033 55.845000 Fe 0.172882 0.542692 0.25 9 55.845 4.62679 -4.00812 55.845000 Fe 0.56228 0.560279 0.25 10 55.845 0.0123114 -3.99295 55.845000 Fe 0.801149 0.52987 0.75 12 55.845 0.41897 -3.92196 55.845000 Fe 0.172882 0.542692 0.75 13 55.845 4.62679 -4.00812 55.845000 Fe 0.56228 0.560279 0.75 14 55.845 0.0123114 -3.99295 55.845000 Fe 0.875344 0.55328 5.14555e-16 15 55.845 0.257914 -3.9384 55.845000 Fe 0.248285 0.566798 5.34538e-16 17 55.845 0.273174 -3.99159 55.845000 Fe 0.248285 0.566798 0.5 18 55.845 0.273174 -3.99159 55.845000 Fe 0.875344 0.55328 0.5 21 55.845 0.257914 -3.9384 55.845000 Fe 0.948735 0.57677 0.25 19 55.845 0.185665 -3.96183 55.845000 Fe 0.948735 0.57677 0.75 22 55.845 0.185665 -3.96183 55.845000 Fe 0.635745 0.583805 8.59258e-16 16 55.845 0.0016583 -3.99862 55.845000 Fe 0.322582 0.590671 0.25 20 55.845 0.190838 -3.97998 55.845000 Fe 0.7088 0.607452 0.25 23 55.845 0.00085333 -4.0051 55.845000 Fe 0.635745 0.583805 0.5 24 55.845 0.0016583 -3.99862 55.845000 Fe 0.322582 0.590671 0.75 25 55.845 0.190838 -3.97998 55.845000 Fe 0.7088 0.607452 0.75 26 55.845 0.00085333 -4.0051 55.845000 Fe 0.395237 0.614438 8.64253e-16 27 55.845 0.185498 -3.96464 55.845000 Fe 0.021643 0.600439 8.7924e-16 28 55.845 0.169811 -3.97302 55.845000 Fe 0.021643 0.600439 0.5 29 55.845 0.169811 -3.97302 55.845000 Fe 0.395237 0.614438 0.5 35 55.845 0.185498 -3.96464 55.845000 Fe 0.093354 0.624313 0.25 30 55.845 0.19744 -3.97522 55.845000 Fe 0.780002 0.631264 7.44357e-16 31 55.845 0.0057173 -3.96347 55.845000 Fe 0.780002 0.631264 0.5 32 55.845 0.0057173 -3.96347 55.845000 Fe 0.093354 0.624313 0.75 36 55.845 0.19744 -3.97522 55.845000 Fe 0.469191 0.638076 0.25 33 55.845 0.296075 -3.92964 55.845000 Fe 0.843854 0.655075 0.25 34 55.845 0.403003 -3.93237 55.845000 Fe 0.469191 0.638076 0.75 37 55.845 0.296075 -3.92964 55.845000 Fe 0.843854 0.655075 0.75 38 55.845 0.403003 -3.93237 55.845000 Fe 0.162994 0.648371 7.14383e-16 39 55.845 0.515398 -3.91089 55.845000 Fe 0.520345 0.662753 5.34538e-16 41 55.845 0.623424 -3.94943 55.845000 Fe 0.520345 0.662753 0.5 42 55.845 0.623424 -3.94943 55.845000 Fe 0.162994 0.648371 0.5 45 55.845 0.515398 -3.91089 55.845000 Fe 0.849538 0.680633 7.14383e-16 40 55.845 0.110561 -3.89463 55.845000 Fe 0.178956 0.673639 0.25 43 55.845 0.290129 -3.87616 55.845000 Fe 0.178956 0.673639 0.75 46 55.845 0.290129 -3.87616 55.845000 Fe 0.849538 0.680633 0.5 48 55.845 0.110561 -3.89463 55.845000 Fe 0.51428 0.689879 0.25 44 55.845 0.0203123 -3.88199 55.845000 Fe 0.845237 0.707495 0.25 47 55.845 0.0221032 -3.87987 55.845000 Fe 0.51428 0.689879 0.75 49 55.845 0.0203123 -3.88199 55.845000 Fe 0.845237 0.707495 0.75 50 55.845 0.0221032 -3.87987 55.845000 Fe 0.175824 0.699494 7.79327e-16 52 55.845 0.0702357 -3.87535 55.845000 Fe 0.175824 0.699494 0.5 53 55.845 0.0702357 -3.87535 55.845000 Fe 0.512115 0.716564 8.54262e-16 51 55.845 0.00575883 -3.87883 55.845000 Fe 0.17829 0.725634 0.25 54 55.845 0.0108032 -3.87672 55.845000 Fe 0.847413 0.734156 9.39189e-16 55 55.845 0.00141948 -3.87893 55.845000 Fe 0.847413 0.734156 0.5 56 55.845 0.00141948 -3.87893 55.845000 Fe 0.512115 0.716564 0.5 59 55.845 0.00575883 -3.87883 55.845000 Fe 0.17829 0.725634 0.75 60 55.845 0.0108032 -3.87672 55.845000 Fe 0.515553 0.742939 0.25 57 55.845 0.00258155 -3.87753 55.845000 Fe 0.850585 0.760709 0.25 58 55.845 0.00337199 -3.87897 55.845000 Fe 0.515553 0.742939 0.75 61 55.845 0.00258155 -3.87753 55.845000 Fe 0.850585 0.760709 0.75 62 55.845 0.00337199 -3.87897 55.845000 Fe 0.182666 0.751908 6.84409e-16 63 55.845 0.00364172 -3.87796 55.845000 Fe 0.182666 0.751908 0.5 69 55.845 0.00364172 -3.87796 55.845000 Fe 0.849854 0.787391 7.09387e-16 64 55.845 0.0291293 -3.88126 55.845000 Fe 0.519147 0.769157 9.34193e-16 65 55.845 0.0193785 -3.87611 55.845000 Fe 0.519147 0.769157 0.5 66 55.845 0.0193785 -3.87611 55.845000 Fe 0.183781 0.778386 0.25 67 55.845 0.0159233 -3.87982 55.845000 Fe 0.183781 0.778386 0.75 70 55.845 0.0159233 -3.87982 55.845000 Fe 0.849854 0.787391 0.5 72 55.845 0.0291293 -3.88126 55.845000 Fe 0.518777 0.795171 0.25 68 55.845 0.130438 -3.87572 55.845000 Fe 0.518777 0.795171 0.75 73 55.845 0.130438 -3.87572 55.845000 Fe 0.175418 0.80528 2.99741e-16 76 55.845 0.108256 -3.8912 55.845000 Fe 0.175418 0.80528 0.5 77 55.845 0.108256 -3.8912 55.845000 Fe 0.840575 0.8142 0.25 71 55.845 0.30625 -3.92461 55.845000 Fe 0.840575 0.8142 0.75 74 55.845 0.30625 -3.92461 55.845000 Fe 0.514604 0.820867 9.94141e-16 75 55.845 0.454944 -3.87848 55.845000 Fe 0.187723 0.831537 0.25 78 55.845 0.537924 -3.96317 55.845000 Fe 0.870973 0.838908 1.07907e-15 79 55.845 0.192143 -3.92107 55.845000 Fe 0.870973 0.838908 0.5 80 55.845 0.192143 -3.92107 55.845000 Fe 0.514604 0.820867 0.5 83 55.845 0.454944 -3.87848 55.845000 Fe 0.187723 0.831537 0.75 84 55.845 0.537924 -3.96317 55.845000 Fe 0.555912 0.845411 0.25 81 55.845 0.396134 -3.93048 55.845000 Fe 0.555912 0.845411 0.75 85 55.845 0.396134 -3.93048 55.845000 Fe 0.253974 0.85588 9.59171e-16 87 55.845 0.301782 -3.94892 55.845000 Fe 0.253974 0.85588 0.5 93 55.845 0.301782 -3.94892 55.845000 Fe 0.941812 0.862527 0.25 82 55.845 0.00194645 -3.981 55.845000 Fe 0.941812 0.862527 0.75 86 55.845 0.00194645 -3.981 55.845000 Fe 0.0151079 0.886197 6.49439e-16 88 55.845 0.0183203 -3.98123 55.845000 Fe 0.628666 0.869431 8.69249e-16 89 55.845 0.262057 -3.9617 55.845000 Fe 0.628666 0.869431 0.5 90 55.845 0.262057 -3.9617 55.845000 Fe 0.330055 0.879826 0.25 91 55.845 0.363668 -3.97908 55.845000 Fe 0.703361 0.893151 0.25 92 55.845 0.317914 -3.93839 55.845000 Fe 0.330055 0.879826 0.75 94 55.845 0.363668 -3.97908 55.845000 Fe 0.0151079 0.886197 0.5 96 55.845 0.0183203 -3.98123 55.845000 Fe 0.703361 0.893151 0.75 97 55.845 0.317914 -3.93839 55.845000 Fe 0.40304 0.90418 4.29629e-16 100 55.845 0.665775 -3.99395 55.845000 Fe 0.40304 0.90418 0.5 101 55.845 0.665775 -3.99395 55.845000 Fe 0.0830795 0.909702 0.25 95 55.845 0.143778 -3.92638 55.845000 Fe 0.0830795 0.909702 0.75 98 55.845 0.143778 -3.92638 55.845000 Fe 0.770566 0.917247 4.19637e-16 99 55.845 0.379271 -3.95158 55.845000 Fe 0.457971 0.929407 0.25 102 55.845 1.35458 -3.9654 55.845000 Fe 0.138033 0.93301 6.14469e-16 103 55.845 5.07949 -3.85909 55.845000 Fe 0.138033 0.93301 0.5 104 55.845 5.07949 -3.85909 55.845000 Fe 0.819612 0.942222 0.25 105 55.845 0.317263 -3.93251 55.845000 Fe 0.770566 0.917247 0.5 107 55.845 0.379271 -3.95158 55.845000 Fe 0.457971 0.929407 0.75 108 55.845 1.35458 -3.9654 55.845000 Fe 0.819612 0.942222 0.75 109 55.845 0.317263 -3.93251 55.845000 Fe 0.504907 0.955327 6.74417e-16 111 55.845 5.00144 -3.98141 55.845000 Fe 0.504907 0.955327 0.5 117 55.845 5.00144 -3.98141 55.845000 Fe 0.167389 0.956601 0.25 106 55.845 5.60282 -3.7741 55.845000 Fe 0.167389 0.956601 0.75 110 55.845 5.60282 -3.7741 55.845000 Fe 0.254681 0.979161 1.12902e-15 112 55.845 10.6805 -3.67551 55.845000 Fe 0.867111 0.969664 1.02911e-15 113 55.845 0.811385 -3.8946 55.845000 Fe 0.867111 0.969664 0.5 114 55.845 0.811385 -3.8946 55.845000 Fe 0.584572 0.98349 0.25 115 55.845 7.48108 -3.87152 55.845000 Fe 0.996191 0.994922 0.25 116 55.845 7.95211 -3.89403 55.845000 Fe 0.584572 0.98349 0.75 118 55.845 7.48108 -3.87152 55.845000 Fe 0.254681 0.979161 0.5 119 55.845 10.6805 -3.67551 55.845000 Fe 0.996191 0.994922 0.75 120 55.845 7.95211 -3.89403