Number of particles = 242 A = 1 Angstrom (basic length-scale) H0(1,1) = 5.1961 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 89.6195 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 6.30475 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 0.755253 0.0386869 0.433367 120 55.845 0.00499882 -3.88534 55.845000 Fe 0.00149551 0.0129029 0.448055 121 55.845 6.16825 -3.8704 55.845000 Fe 0.504618 0.0299739 0.770069 225 55.845 0.0290115 -3.87116 55.845000 Fe 0.00461785 0.0299739 0.770069 227 55.845 0.0290115 -3.87116 55.845000 Fe 0.250058 0.00411854 0.800318 237 55.845 9.40025 -3.7796 55.845000 Fe 0.750058 0.00411854 0.800318 238 55.845 9.40025 -3.7796 55.845000 Fe 0.754264 0.0220288 0.109489 239 55.845 4.11891 -3.77154 55.845000 Fe 0.254264 0.0220288 0.109489 240 55.845 4.11891 -3.77154 55.845000 Fe 0.255253 0.0386869 0.433367 241 55.845 0.00499882 -3.88534 55.845000 Fe 0.501496 0.0129029 0.448055 242 55.845 6.16825 -3.8704 55.845000 Fe 0.510223 0.081759 0.738409 214 55.845 9.72608e-05 -3.88652 55.845000 Fe 0.010223 0.081759 0.738409 215 55.845 9.72608e-05 -3.88652 55.845000 Fe 0.757796 0.0559274 0.754605 226 55.845 0.000582833 -3.88675 55.845000 Fe 0.257796 0.0559274 0.754605 228 55.845 0.000582833 -3.88675 55.845000 Fe 0.259454 0.0731875 0.0771946 229 55.845 0.000323729 -3.88603 55.845000 Fe 0.506725 0.047443 0.0926808 230 55.845 0.00496297 -3.88645 55.845000 Fe 0.00672526 0.047443 0.0926808 231 55.845 0.00496297 -3.88645 55.845000 Fe 0.508644 0.0645081 0.415998 232 55.845 0.000692709 -3.8863 55.845000 Fe 0.759454 0.0731875 0.0771946 233 55.845 0.000323729 -3.88603 55.845000 Fe 0.00864404 0.0645081 0.415998 235 55.845 0.000692709 -3.8863 55.845000 Fe 0.262336 0.10759 0.722988 213 55.845 1.63527e-05 -3.88632 55.845000 Fe 0.511707 0.0989831 0.0613889 216 55.845 7.21933e-05 -3.88625 55.845000 Fe 0.762336 0.10759 0.722988 217 55.845 1.63527e-05 -3.88632 55.845000 Fe 0.76385 0.124808 0.0462801 218 55.845 2.76744e-05 -3.88622 55.845000 Fe 0.0117071 0.0989831 0.0613889 219 55.845 7.21933e-05 -3.88625 55.845000 Fe 0.26385 0.124808 0.0462801 220 55.845 2.76744e-05 -3.88622 55.845000 Fe 0.513083 0.11619 0.384584 222 55.845 1.77609e-05 -3.88628 55.845000 Fe 0.0130826 0.11619 0.384584 223 55.845 1.77609e-05 -3.88628 55.845000 Fe 0.761123 0.0903535 0.400072 234 55.845 0.000111557 -3.8862 55.845000 Fe 0.261123 0.0903535 0.400072 236 55.845 0.000111557 -3.8862 55.845000 Fe 0.514463 0.133415 0.707757 201 55.845 1.86314e-05 -3.88619 55.845000 Fe 0.766429 0.159249 0.6922 202 55.845 0.000115039 -3.88588 55.845000 Fe 0.0144633 0.133415 0.707757 203 55.845 1.86314e-05 -3.88619 55.845000 Fe 0.266429 0.159249 0.6922 204 55.845 0.000115039 -3.88588 55.845000 Fe 0.515937 0.150647 0.0308684 206 55.845 8.04506e-05 -3.88619 55.845000 Fe 0.0159371 0.150647 0.0308684 207 55.845 8.04506e-05 -3.88619 55.845000 Fe 0.264895 0.142039 0.369328 221 55.845 7.55573e-05 -3.88609 55.845000 Fe 0.764895 0.142039 0.369328 224 55.845 7.55573e-05 -3.88609 55.845000 Fe 0.516764 0.167907 0.353412 208 55.845 0.000318147 -3.8859 55.845000 Fe 0.0167636 0.167907 0.353412 211 55.845 0.000318147 -3.8859 55.845000 Fe 0.518842 0.18505 0.67618 190 55.845 0.00127872 -3.88581 55.845000 Fe 0.0188421 0.18505 0.67618 191 55.845 0.00127872 -3.88581 55.845000 Fe 0.520378 0.202388 0.999119 192 55.845 0.00214274 -3.88736 55.845000 Fe 0.0203782 0.202388 0.999119 195 55.845 0.00214274 -3.88736 55.845000 Fe 0.267958 0.176501 0.0148834 205 55.845 0.000105393 -3.88634 55.845000 Fe 0.767958 0.176501 0.0148834 209 55.845 0.000105393 -3.88634 55.845000 Fe 0.769156 0.193787 0.336816 210 55.845 0.00184826 -3.88578 55.845000 Fe 0.269156 0.193787 0.336816 212 55.845 0.00184826 -3.88578 55.845000 Fe 0.271752 0.210717 0.66088 189 55.845 0.017264 -3.88566 55.845000 Fe 0.771752 0.210717 0.66088 193 55.845 0.017264 -3.88566 55.845000 Fe 0.525681 0.235915 0.649181 177 55.845 0.177429 -3.88327 55.845000 Fe 0.0256812 0.235915 0.649181 179 55.845 0.177429 -3.88327 55.845000 Fe 0.773354 0.22846 0.985246 194 55.845 0.0354654 -3.88683 55.845000 Fe 0.273354 0.22846 0.985246 196 55.845 0.0354654 -3.88683 55.845000 Fe 0.274245 0.245708 0.305726 197 55.845 0.226121 -3.89132 55.845000 Fe 0.521627 0.219701 0.320729 198 55.845 0.0147487 -3.88546 55.845000 Fe 0.0216267 0.219701 0.320729 199 55.845 0.0147487 -3.88546 55.845000 Fe 0.774245 0.245708 0.305726 200 55.845 0.226121 -3.89132 55.845000 Fe 0.527008 0.255027 0.975827 182 55.845 0.639319 -3.95201 55.845000 Fe 0.0270079 0.255027 0.975827 183 55.845 0.639319 -3.95201 55.845000 Fe 0.52808 0.283544 0.698907 166 55.845 1.47897 -3.88827 55.845000 Fe 0.0280799 0.283544 0.698907 167 55.845 1.47897 -3.88827 55.845000 Fe 0.777467 0.260251 0.644999 178 55.845 1.18084 -3.84752 55.845000 Fe 0.277467 0.260251 0.644999 180 55.845 1.18084 -3.84752 55.845000 Fe 0.278021 0.279001 0.0155421 181 55.845 0.199963 -3.88977 55.845000 Fe 0.527599 0.272028 0.331523 184 55.845 0.82438 -3.94951 55.845000 Fe 0.778021 0.279001 0.0155421 185 55.845 0.199963 -3.88977 55.845000 Fe 0.0275987 0.272028 0.331523 187 55.845 0.82438 -3.94951 55.845000 Fe 0.778509 0.296186 0.397879 186 55.845 1.11327 -3.93834 55.845000 Fe 0.278509 0.296186 0.397879 188 55.845 1.11327 -3.93834 55.845000 Fe 0.528844 0.330377 0.831809 153 55.845 1.50204 -3.93081 55.845000 Fe 0.0288441 0.330377 0.831809 155 55.845 1.50204 -3.93081 55.845000 Fe 0.278375 0.306981 0.765212 165 55.845 1.47999 -3.93807 55.845000 Fe 0.528443 0.301954 0.0834211 168 55.845 0.0138695 -3.93093 55.845000 Fe 0.778375 0.306981 0.765212 169 55.845 1.47999 -3.93807 55.845000 Fe 0.778728 0.325184 0.148543 170 55.845 0.000386267 -3.94822 55.845000 Fe 0.0284428 0.301954 0.0834211 171 55.845 0.0138695 -3.93093 55.845000 Fe 0.278728 0.325184 0.148543 172 55.845 0.000386267 -3.94822 55.845000 Fe 0.528726 0.319917 0.464447 174 55.845 1.42274 -3.93447 55.845000 Fe 0.0287259 0.319917 0.464447 175 55.845 1.42274 -3.93447 55.845000 Fe 0.779738 0.353878 0.897234 154 55.845 1.4394 -3.93366 55.845000 Fe 0.279738 0.353878 0.897234 156 55.845 1.4394 -3.93366 55.845000 Fe 0.279186 0.371547 0.276806 157 55.845 5.73468 -3.90029 55.845000 Fe 0.529009 0.348462 0.213142 158 55.845 0.00709174 -3.9413 55.845000 Fe 0.0290089 0.348462 0.213142 159 55.845 0.00709174 -3.9413 55.845000 Fe 0.527051 0.367127 0.596746 160 55.845 4.51893 -3.94928 55.845000 Fe 0.779186 0.371547 0.276806 161 55.845 5.73468 -3.90029 55.845000 Fe 0.0270515 0.367127 0.596746 163 55.845 4.51893 -3.94928 55.845000 Fe 0.278364 0.343494 0.530466 173 55.845 1.60084 -3.93687 55.845000 Fe 0.778364 0.343494 0.530466 176 55.845 1.60084 -3.93687 55.845000 Fe 0.296409 0.401989 0.0205691 141 55.845 1.4985 -3.91535 55.845000 Fe 0.53195 0.377642 0.961638 142 55.845 1.2274 -3.93956 55.845000 Fe 0.0319498 0.377642 0.961638 143 55.845 1.2274 -3.93956 55.845000 Fe 0.528858 0.394173 0.339702 144 55.845 5.07736 -3.86559 55.845000 Fe 0.796409 0.401989 0.0205691 145 55.845 1.4985 -3.91535 55.845000 Fe 0.0288577 0.394173 0.339702 147 55.845 5.07736 -3.86559 55.845000 Fe 0.506133 0.41584 0.701046 150 55.845 4.21463 -3.96858 55.845000 Fe 0.0061327 0.41584 0.701046 151 55.845 4.21463 -3.96858 55.845000 Fe 0.772388 0.391179 0.659923 162 55.845 4.65299 -3.92662 55.845000 Fe 0.272388 0.391179 0.659923 164 55.845 4.65299 -3.92662 55.845000 Fe 0.631655 0.428066 0.0300156 129 55.845 4.46867 -3.92239 55.845000 Fe 0.907748 0.453159 0.0233309 130 55.845 3.98386 -3.91519 55.845000 Fe 0.131655 0.428066 0.0300156 131 55.845 4.46867 -3.92239 55.845000 Fe 0.407748 0.453159 0.0233309 132 55.845 3.98386 -3.91519 55.845000 Fe 0.514525 0.440431 0.363471 134 55.845 4.86611 -3.83882 55.845000 Fe 0.0145249 0.440431 0.363471 135 55.845 4.86611 -3.83882 55.845000 Fe 0.777646 0.417322 0.369327 146 55.845 4.11104 -3.87304 55.845000 Fe 0.277646 0.417322 0.369327 148 55.845 4.11104 -3.87304 55.845000 Fe 0.266174 0.440507 0.698713 149 55.845 4.62148 -3.98171 55.845000 Fe 0.766174 0.440507 0.698713 152 55.845 4.62148 -3.98171 55.845000 Fe 0.742252 0.479119 0.991463 124 55.845 1.51151 -3.94199 55.845000 Fe 0.242252 0.479119 0.991463 125 55.845 1.51151 -3.94199 55.845000 Fe 0.503231 0.486483 0.307392 126 55.845 5.34392 -3.8434 55.845000 Fe 0.00323083 0.486483 0.307392 128 55.845 5.34392 -3.8434 55.845000 Fe 0.254091 0.463561 0.357844 133 55.845 4.60413 -3.87779 55.845000 Fe 0.527033 0.46523 0.687187 136 55.845 4.71663 -3.95891 55.845000 Fe 0.754091 0.463561 0.357844 137 55.845 4.60413 -3.87779 55.845000 Fe 0.756453 0.490072 0.625212 138 55.845 4.62594 -3.93044 55.845000 Fe 0.0270329 0.46523 0.687187 139 55.845 4.71663 -3.95891 55.845000 Fe 0.256453 0.490072 0.625212 140 55.845 4.62594 -3.93044 55.845000 Fe 0.00352012 0.531848 0.154652 103 55.845 5.79032 -3.91127 55.845000 Fe 0.50352 0.531848 0.154652 105 55.845 5.79032 -3.91127 55.845000 Fe 0.754903 0.537636 0.468294 108 55.845 1.20601 -3.94179 55.845000 Fe 0.254903 0.537636 0.468294 109 55.845 1.20601 -3.94179 55.845000 Fe 0.753085 0.508963 0.229479 115 55.845 5.77988 -3.90874 55.845000 Fe 0.253085 0.508963 0.229479 116 55.845 5.77988 -3.90874 55.845000 Fe 0.00401011 0.513994 0.546332 117 55.845 4.53063 -3.9513 55.845000 Fe 0.50401 0.513994 0.546332 118 55.845 4.53063 -3.9513 55.845000 Fe 0.752739 0.526805 0.838 119 55.845 4.54516 -3.95087 55.845000 Fe 0.252739 0.526805 0.838 122 55.845 4.54516 -3.95087 55.845000 Fe 0.50167 0.503154 0.916039 123 55.845 1.19129 -3.94211 55.845000 Fe 0.0016704 0.503154 0.916039 127 55.845 1.19129 -3.94211 55.845000 Fe 0.00211963 0.57732 0.0265155 92 55.845 4.57243 -3.88712 55.845000 Fe 0.50212 0.57732 0.0265155 93 55.845 4.57243 -3.88712 55.845000 Fe 0.253074 0.554366 0.0768536 104 55.845 5.38409 -3.84509 55.845000 Fe 0.753074 0.554366 0.0768536 106 55.845 5.38409 -3.84509 55.845000 Fe 0.513609 0.561601 0.393049 107 55.845 1.53696 -3.94348 55.845000 Fe 0.000205838 0.550738 0.759347 110 55.845 4.63482 -3.92961 55.845000 Fe 0.0136094 0.561601 0.393049 111 55.845 1.53696 -3.94348 55.845000 Fe 0.22902 0.575533 0.697375 112 55.845 4.70145 -3.95536 55.845000 Fe 0.500206 0.550738 0.759347 113 55.845 4.63482 -3.92961 55.845000 Fe 0.72902 0.575533 0.697375 114 55.845 4.70145 -3.95536 55.845000 Fe 0.988482 0.624046 0.0158214 79 55.845 4.21694 -3.8748 55.845000 Fe 0.488482 0.624046 0.0158214 81 55.845 4.21694 -3.8748 55.845000 Fe 0.743949 0.600594 0.0195658 91 55.845 4.56316 -3.87353 55.845000 Fe 0.844854 0.587488 0.360603 94 55.845 3.81682 -3.91029 55.845000 Fe 0.243949 0.600594 0.0195658 95 55.845 4.56316 -3.87353 55.845000 Fe 0.113905 0.612244 0.352298 96 55.845 4.88416 -3.92775 55.845000 Fe 0.344854 0.587488 0.360603 97 55.845 3.81682 -3.91029 55.845000 Fe 0.613905 0.612244 0.352298 98 55.845 4.88416 -3.92775 55.845000 Fe 0.987732 0.600129 0.685846 100 55.845 4.56823 -3.96729 55.845000 Fe 0.487732 0.600129 0.685846 101 55.845 4.56823 -3.96729 55.845000 Fe 0.741834 0.624445 0.681471 99 55.845 4.56352 -3.96391 55.845000 Fe 0.241834 0.624445 0.681471 102 55.845 4.56352 -3.96391 55.845000 Fe 0.227578 0.647334 0.0111725 80 55.845 2.14731 -3.88636 55.845000 Fe 0.727578 0.647334 0.0111725 82 55.845 2.14731 -3.88636 55.845000 Fe 0.711117 0.662875 0.362031 83 55.845 1.5352 -3.92066 55.845000 Fe 0.876936 0.636855 0.349826 84 55.845 4.38536 -3.91744 55.845000 Fe 0.376936 0.636855 0.349826 85 55.845 4.38536 -3.91744 55.845000 Fe 2.10985e-05 0.649 0.679888 86 55.845 4.13713 -3.96285 55.845000 Fe 0.211117 0.662875 0.362031 87 55.845 1.5352 -3.92066 55.845000 Fe 0.500021 0.649 0.679888 89 55.845 4.13713 -3.96285 55.845000 Fe 0.726335 0.693123 0.108086 67 55.845 0.066902 -3.90401 55.845000 Fe 0.976682 0.670505 0.0433838 68 55.845 5.15532 -3.86371 55.845000 Fe 0.476682 0.670505 0.0433838 69 55.845 5.15532 -3.86371 55.845000 Fe 0.97371 0.6871 0.423389 70 55.845 1.2269 -3.9393 55.845000 Fe 0.226335 0.693123 0.108086 71 55.845 0.066902 -3.90401 55.845000 Fe 0.47371 0.6871 0.423389 73 55.845 1.2269 -3.9393 55.845000 Fe 0.978231 0.697683 0.788734 76 55.845 4.52156 -3.95089 55.845000 Fe 0.478231 0.697683 0.788734 77 55.845 4.52156 -3.95089 55.845000 Fe 0.232779 0.673631 0.723708 88 55.845 4.63888 -3.92659 55.845000 Fe 0.732779 0.673631 0.723708 90 55.845 4.63888 -3.92659 55.845000 Fe 0.976983 0.716199 0.17244 55 55.845 0.00256138 -3.93684 55.845000 Fe 0.227633 0.739367 0.237104 56 55.845 0.0104984 -3.92709 55.845000 Fe 0.476983 0.716199 0.17244 57 55.845 0.00256138 -3.93684 55.845000 Fe 0.727633 0.739367 0.237104 58 55.845 0.0104984 -3.92709 55.845000 Fe 0.977335 0.734288 0.555295 60 55.845 1.45096 -3.93946 55.845000 Fe 0.477335 0.734288 0.555295 61 55.845 1.45096 -3.93946 55.845000 Fe 0.2263 0.710814 0.488662 72 55.845 1.40358 -3.93488 55.845000 Fe 0.7263 0.710814 0.488662 74 55.845 1.40358 -3.93488 55.845000 Fe 0.727639 0.721357 0.855709 75 55.845 1.4483 -3.93989 55.845000 Fe 0.227639 0.721357 0.855709 78 55.845 1.4483 -3.93989 55.845000 Fe 0.977972 0.745103 0.922243 62 55.845 1.12223 -3.94001 55.845000 Fe 0.477972 0.745103 0.922243 65 55.845 1.12223 -3.94001 55.845000 Fe 0.978268 0.762299 0.304091 44 55.845 0.209029 -3.88984 55.845000 Fe 0.478268 0.762299 0.304091 45 55.845 0.209029 -3.88984 55.845000 Fe 0.978617 0.781085 0.673003 46 55.845 1.17385 -3.84892 55.845000 Fe 0.478617 0.781085 0.673003 49 55.845 1.17385 -3.84892 55.845000 Fe 0.728074 0.757756 0.620831 59 55.845 1.47866 -3.88701 55.845000 Fe 0.228074 0.757756 0.620831 63 55.845 1.47866 -3.88701 55.845000 Fe 0.228753 0.769285 0.987676 64 55.845 0.836103 -3.94934 55.845000 Fe 0.728753 0.769285 0.987676 66 55.845 0.836103 -3.94934 55.845000 Fe 0.729061 0.786312 0.341915 43 55.845 0.63037 -3.95005 55.845000 Fe 0.229061 0.786312 0.341915 47 55.845 0.63037 -3.95005 55.845000 Fe 0.981598 0.812899 0.331722 31 55.845 0.0353604 -3.88637 55.845000 Fe 0.481598 0.812899 0.331722 33 55.845 0.0353604 -3.88637 55.845000 Fe 0.229743 0.805445 0.667744 48 55.845 0.177521 -3.8831 55.845000 Fe 0.729743 0.805445 0.667744 50 55.845 0.177521 -3.8831 55.845000 Fe 0.733006 0.821652 0.99607 51 55.845 0.0151726 -3.88538 55.845000 Fe 0.980472 0.795659 0.01159 52 55.845 0.214508 -3.89019 55.845000 Fe 0.480472 0.795659 0.01159 53 55.845 0.214508 -3.89019 55.845000 Fe 0.233006 0.821652 0.99607 54 55.845 0.0151726 -3.88538 55.845000 Fe 0.983066 0.830658 0.655594 36 55.845 0.0175409 -3.88584 55.845000 Fe 0.483066 0.830658 0.655594 37 55.845 0.0175409 -3.88584 55.845000 Fe 0.987223 0.864843 0.303253 20 55.845 0.00019293 -3.88714 55.845000 Fe 0.487223 0.864843 0.303253 21 55.845 0.00019293 -3.88714 55.845000 Fe 0.234786 0.838978 0.317401 32 55.845 0.00244294 -3.88767 55.845000 Fe 0.734786 0.838978 0.317401 34 55.845 0.00244294 -3.88767 55.845000 Fe 0.735704 0.856323 0.641373 35 55.845 0.00162459 -3.88639 55.845000 Fe 0.985114 0.847573 0.980058 38 55.845 0.0018807 -3.88616 55.845000 Fe 0.235704 0.856323 0.641373 39 55.845 0.00162459 -3.88639 55.845000 Fe 0.485114 0.847573 0.980058 41 55.845 0.0018807 -3.88616 55.845000 Fe 0.237895 0.873428 0.965493 40 55.845 0.000300893 -3.88662 55.845000 Fe 0.737895 0.873428 0.965493 42 55.845 0.000300893 -3.88662 55.845000 Fe 0.739663 0.890663 0.289279 19 55.845 8.59849e-05 -3.88693 55.845000 Fe 0.988793 0.882095 0.627337 22 55.845 0.000322819 -3.88666 55.845000 Fe 0.239663 0.890663 0.289279 23 55.845 8.59849e-05 -3.88693 55.845000 Fe 0.240888 0.907899 0.612825 24 55.845 0.000234444 -3.88654 55.845000 Fe 0.488793 0.882095 0.627337 25 55.845 0.000322819 -3.88666 55.845000 Fe 0.740888 0.907899 0.612825 26 55.845 0.000234444 -3.88654 55.845000 Fe 0.990318 0.899251 0.951251 28 55.845 0.000257749 -3.88667 55.845000 Fe 0.490318 0.899251 0.951251 29 55.845 0.000257749 -3.88667 55.845000 Fe 0.991276 0.916484 0.274695 7 55.845 0.000145116 -3.88692 55.845000 Fe 0.491276 0.916484 0.274695 9 55.845 0.000145116 -3.88692 55.845000 Fe 0.242675 0.942301 0.258987 8 55.845 0.00063176 -3.88691 55.845000 Fe 0.742675 0.942301 0.258987 10 55.845 0.00063176 -3.88691 55.845000 Fe 0.992296 0.933723 0.597532 12 55.845 0.000822799 -3.88649 55.845000 Fe 0.492296 0.933723 0.597532 13 55.845 0.000822799 -3.88649 55.845000 Fe 0.993149 0.950776 0.920952 14 55.845 0.00525662 -3.88653 55.845000 Fe 0.493149 0.950776 0.920952 17 55.845 0.00525662 -3.88653 55.845000 Fe 0.741827 0.925039 0.936174 27 55.845 0.000446869 -3.88628 55.845000 Fe 0.241827 0.925039 0.936174 30 55.845 0.000446869 -3.88628 55.845000 Fe 0.748896 0.994115 0.213093 1 55.845 9.38703 -3.77955 55.845000 Fe 0.994825 0.968252 0.243445 2 55.845 0.0292371 -3.87117 55.845000 Fe 0.494825 0.968252 0.243445 3 55.845 0.0292371 -3.87117 55.845000 Fe 0.997337 0.985328 0.565385 4 55.845 6.15723 -3.87035 55.845000 Fe 0.248896 0.994115 0.213093 5 55.845 9.38703 -3.77955 55.845000 Fe 0.497337 0.985328 0.565385 6 55.845 6.15723 -3.87035 55.845000 Fe 0.744244 0.959537 0.580213 11 55.845 0.00482383 -3.88533 55.845000 Fe 0.244244 0.959537 0.580213 15 55.845 0.00482383 -3.88533 55.845000 Fe 0.244667 0.976197 0.903976 16 55.845 4.11828 -3.77155 55.845000 Fe 0.744667 0.976197 0.903976 18 55.845 4.11828 -3.77155