Number of particles = 240 A = 1 Angstrom (basic length-scale) H0(1,1) = 5.10671 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 88.4607 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 6.25445 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 1 0.0333692 0.666652 1 55.845 1.27112e-05 -4.2421 55.845000 Fe 0.25 0.00834461 0.666566 5 55.845 1.16452e-05 -4.24208 55.845000 Fe 0.75 0.00834461 0.666566 115 55.845 1.16452e-05 -4.24208 55.845000 Fe 0.5 0.0333692 0.666652 116 55.845 1.27112e-05 -4.2421 55.845000 Fe 0.75 0.0250362 4.77984e-06 225 55.845 2.03104e-05 -4.24207 55.845000 Fe 0.25 0.0250362 4.77984e-06 227 55.845 2.03104e-05 -4.24207 55.845000 Fe 0.5 1.3088e-05 0.999988 237 55.845 1.64485e-05 -4.24212 55.845000 Fe 1 1.3088e-05 0.999988 238 55.845 1.64485e-05 -4.24212 55.845000 Fe 1 0.0166826 0.333324 239 55.845 7.77342e-06 -4.2421 55.845000 Fe 0.5 0.0166826 0.333324 240 55.845 7.77342e-06 -4.2421 55.845000 Fe 0.75 0.0750347 1 214 55.845 1.80223e-10 -4.2421 55.845000 Fe 0.25 0.0750347 1 215 55.845 1.80223e-10 -4.2421 55.845000 Fe 1 0.0500368 0.999999 226 55.845 2.09014e-07 -4.24207 55.845000 Fe 0.5 0.0500368 0.999999 228 55.845 2.09014e-07 -4.24207 55.845000 Fe 0.5 0.066702 0.333333 229 55.845 3.73225e-08 -4.2421 55.845000 Fe 0.75 0.0417025 0.333333 230 55.845 6.57656e-06 -4.24211 55.845000 Fe 0.25 0.0417025 0.333333 231 55.845 6.57656e-06 -4.24211 55.845000 Fe 0.75 0.0583694 0.666667 232 55.845 1.10862e-07 -4.2421 55.845000 Fe 1 0.066702 0.333333 233 55.845 3.73225e-08 -4.2421 55.845000 Fe 0.25 0.0583694 0.666667 235 55.845 1.10862e-07 -4.2421 55.845000 Fe 0.5 0.100033 1 213 55.845 2.1882e-16 -4.2421 55.845000 Fe 0.75 0.0917 0.333333 216 55.845 2.15744e-14 -4.2421 55.845000 Fe 1 0.100033 1 217 55.845 2.1882e-16 -4.2421 55.845000 Fe 0.25 0.0917 0.333333 219 55.845 2.15744e-14 -4.2421 55.845000 Fe 0.75 0.108365 0.666667 222 55.845 1.45164e-16 -4.2421 55.845000 Fe 0.25 0.108365 0.666667 223 55.845 1.45164e-16 -4.2421 55.845000 Fe 1 0.0833674 0.666667 234 55.845 9.74789e-13 -4.2421 55.845000 Fe 0.5 0.0833674 0.666667 236 55.845 9.74789e-13 -4.2421 55.845000 Fe 0.75 0.125031 6.99153e-15 201 55.845 4.83936e-19 -4.2421 55.845000 Fe 1 0.150029 1 202 55.845 1.30162e-26 -4.2421 55.845000 Fe 0.25 0.125031 6.99153e-15 203 55.845 4.83937e-19 -4.2421 55.845000 Fe 0.5 0.150029 1 204 55.845 1.04848e-26 -4.2421 55.845000 Fe 0.75 0.141696 0.333333 206 55.845 1.84191e-23 -4.2421 55.845000 Fe 0.25 0.141696 0.333333 207 55.845 1.84337e-23 -4.2421 55.845000 Fe 1 0.116698 0.333333 218 55.845 3.1167e-17 -4.2421 55.845000 Fe 0.5 0.116698 0.333333 220 55.845 3.1167e-17 -4.2421 55.845000 Fe 0.5 0.133363 0.666667 221 55.845 7.12495e-21 -4.2421 55.845000 Fe 1 0.133363 0.666667 224 55.845 7.12497e-21 -4.2421 55.845000 Fe 0.75 0.175027 1 190 55.845 1.46728e-28 -4.2421 55.845000 Fe 0.25 0.175027 1 191 55.845 1.52842e-28 -4.2421 55.845000 Fe 0.75 0.191692 0.333333 192 55.845 7.09975e-30 -4.2421 55.845000 Fe 0.25 0.191692 0.333333 195 55.845 1.14385e-29 -4.2421 55.845000 Fe 0.5 0.166694 0.333333 205 55.845 1.49884e-29 -4.2421 55.845000 Fe 0.75 0.158361 0.666667 208 55.845 1.11229e-28 -4.2421 55.845000 Fe 1 0.166694 0.333333 209 55.845 1.41995e-29 -4.2421 55.845000 Fe 1 0.183359 0.666667 210 55.845 1.89327e-28 -4.2421 55.845000 Fe 0.25 0.158361 0.666667 211 55.845 1.11821e-28 -4.2421 55.845000 Fe 0.5 0.183359 0.666667 212 55.845 1.88538e-28 -4.2421 55.845000 Fe 0.75 0.225022 1 177 55.845 2.12992e-28 -4.2421 55.845000 Fe 0.25 0.225022 1 179 55.845 2.16542e-28 -4.2421 55.845000 Fe 0.5 0.200024 1 189 55.845 2.16937e-28 -4.2421 55.845000 Fe 1 0.200024 1 193 55.845 1.76705e-28 -4.2421 55.845000 Fe 1 0.21669 0.333333 194 55.845 1.34106e-29 -4.2421 55.845000 Fe 0.5 0.21669 0.333333 196 55.845 7.09975e-30 -4.2421 55.845000 Fe 0.75 0.208357 0.666667 198 55.845 1.65661e-28 -4.2421 55.845000 Fe 0.25 0.208357 0.666667 199 55.845 1.6645e-28 -4.2421 55.845000 Fe 1 0.25002 1 178 55.845 5.04871e-28 -4.2421 55.845000 Fe 0.5 0.25002 1 180 55.845 4.61484e-28 -4.2421 55.845000 Fe 0.5 0.266686 0.333333 181 55.845 4.25196e-28 -4.2421 55.845000 Fe 0.75 0.241688 0.333333 182 55.845 2.65846e-28 -4.2421 55.845000 Fe 0.25 0.241688 0.333333 183 55.845 2.58746e-28 -4.2421 55.845000 Fe 0.75 0.258353 0.666667 184 55.845 5.1907e-28 -4.2421 55.845000 Fe 1 0.266686 0.333333 185 55.845 4.34662e-28 -4.2421 55.845000 Fe 0.25 0.258353 0.666667 187 55.845 5.31101e-28 -4.2421 55.845000 Fe 0.5 0.233355 0.666667 197 55.845 2.4928e-28 -4.2421 55.845000 Fe 1 0.233355 0.666667 200 55.845 2.36658e-28 -4.2421 55.845000 Fe 0.5 0.300016 1 165 55.845 2.96612e-28 -4.2421 55.845000 Fe 0.75 0.275018 1 166 55.845 2.43758e-28 -4.2421 55.845000 Fe 0.25 0.275018 1 167 55.845 2.97203e-28 -4.2421 55.845000 Fe 0.75 0.291684 0.333333 168 55.845 5.99534e-29 -4.2421 55.845000 Fe 1 0.300016 1 169 55.845 3.15544e-28 -4.2421 55.845000 Fe 0.25 0.291684 0.333333 171 55.845 3.31124e-28 -4.2421 55.845000 Fe 1 0.283351 0.666667 186 55.845 2.8399e-28 -4.2421 55.845000 Fe 0.5 0.283351 0.666667 188 55.845 2.68213e-28 -4.2421 55.845000 Fe 0.75 0.325014 1 153 55.845 1.84593e-28 -4.2421 55.845000 Fe 0.25 0.325014 1 155 55.845 1.83805e-28 -4.2421 55.845000 Fe 0.75 0.34168 0.333333 158 55.845 2.17726e-28 -4.2421 55.845000 Fe 0.25 0.34168 0.333333 159 55.845 2.24036e-28 -4.2421 55.845000 Fe 1 0.316682 0.333333 170 55.845 6.232e-29 -4.2421 55.845000 Fe 0.5 0.316682 0.333333 172 55.845 6.15312e-29 -4.2421 55.845000 Fe 0.5 0.333347 0.666667 173 55.845 8.12527e-29 -4.2421 55.845000 Fe 0.75 0.308349 0.666667 174 55.845 2.69002e-28 -4.2421 55.845000 Fe 0.25 0.308349 0.666667 175 55.845 2.25417e-28 -4.2421 55.845000 Fe 1 0.333347 0.666667 176 55.845 7.88861e-29 -4.2421 55.845000 Fe 0.75 0.37501 1 142 55.845 1.54617e-28 -4.2421 55.845000 Fe 0.25 0.37501 1 143 55.845 1.61322e-28 -4.2421 55.845000 Fe 1 0.350012 1 154 55.845 1.86171e-28 -4.2421 55.845000 Fe 0.5 0.350012 1 156 55.845 1.48306e-28 -4.2421 55.845000 Fe 0.5 0.366678 0.333333 157 55.845 1.18014e-27 -4.2421 55.845000 Fe 0.75 0.358345 0.666667 160 55.845 2.71368e-28 -4.2421 55.845000 Fe 1 0.366678 0.333333 161 55.845 1.18645e-27 -4.2421 55.845000 Fe 1 0.383343 0.666667 162 55.845 5.61669e-28 -4.2421 55.845000 Fe 0.25 0.358345 0.666667 163 55.845 2.7334e-28 -4.2421 55.845000 Fe 0.5 0.383343 0.666667 164 55.845 5.54569e-28 -4.2421 55.845000 Fe 0.5 0.400008 1 141 55.845 2.20092e-28 -4.2421 55.845000 Fe 0.75 0.391676 0.333333 144 55.845 2.01948e-28 -4.2421 55.845000 Fe 1 0.400008 1 145 55.845 2.24036e-28 -4.2421 55.845000 Fe 1 0.416673 0.333333 146 55.845 2.71368e-28 -4.2421 55.845000 Fe 0.25 0.391676 0.333333 147 55.845 2.06879e-28 -4.2421 55.845000 Fe 0.5 0.416673 0.333333 148 55.845 2.67424e-28 -4.2421 55.845000 Fe 0.75 0.408341 0.666667 150 55.845 5.17493e-28 -4.2421 55.845000 Fe 0.25 0.408341 0.666667 151 55.845 5.21831e-28 -4.2421 55.845000 Fe 0.75 0.425006 1 129 55.845 8.1726e-28 -4.2421 55.845000 Fe 1 0.450004 1 130 55.845 2.27192e-28 -4.2421 55.845000 Fe 0.25 0.425006 1 131 55.845 8.20613e-28 -4.2421 55.845000 Fe 0.5 0.450004 1 132 55.845 2.2877e-28 -4.2421 55.845000 Fe 0.75 0.441671 0.333333 134 55.845 1.51777e-27 -4.2421 55.845000 Fe 0.25 0.441671 0.333333 135 55.845 1.51974e-27 -4.2421 55.845000 Fe 0.75 0.458337 0.666667 136 55.845 4.16519e-28 -4.2421 55.845000 Fe 0.25 0.458337 0.666667 139 55.845 4.18293e-28 -4.2421 55.845000 Fe 0.5 0.433339 0.666667 149 55.845 1.08705e-27 -4.2421 55.845000 Fe 1 0.433339 0.666667 152 55.845 1.08547e-27 -4.2421 55.845000 Fe 0.75 0.475002 1 124 55.845 2.65057e-28 -4.2421 55.845000 Fe 0.25 0.475002 1 125 55.845 2.66832e-28 -4.2421 55.845000 Fe 0.75 0.491667 0.333333 126 55.845 6.59488e-28 -4.2421 55.845000 Fe 0.25 0.491667 0.333333 128 55.845 6.6146e-28 -4.2421 55.845000 Fe 0.5 0.466669 0.333333 133 55.845 5.24593e-28 -4.2421 55.845000 Fe 1 0.466669 0.333333 137 55.845 5.17493e-28 -4.2421 55.845000 Fe 1 0.483335 0.666667 138 55.845 4.2914e-28 -4.2421 55.845000 Fe 0.5 0.483335 0.666667 140 55.845 4.30718e-28 -4.2421 55.845000 Fe 0.5 0.5 1 123 55.845 2.28777e-28 -4.2421 55.845000 Fe 1 0.5 1 127 55.845 2.27183e-28 -4.2421 55.845000 Fe 0.75 0.524998 1 103 55.845 3.15544e-28 -4.2421 55.845000 Fe 0.25 0.524998 1 105 55.845 3.19883e-28 -4.2421 55.845000 Fe 1 0.516665 0.333333 117 55.845 7.25752e-28 -4.2421 55.845000 Fe 0.5 0.516665 0.333333 118 55.845 7.21808e-28 -4.2421 55.845000 Fe 0.5 0.533331 0.666667 119 55.845 9.77399e-28 -4.2421 55.845000 Fe 0.75 0.508333 0.666667 120 55.845 1.47359e-27 -4.2421 55.845000 Fe 0.25 0.508333 0.666667 121 55.845 1.47694e-27 -4.2421 55.845000 Fe 1 0.533331 0.666667 122 55.845 9.81343e-28 -4.2421 55.845000 Fe 0.75 0.574994 1 92 55.845 4.13363e-28 -4.2421 55.845000 Fe 0.25 0.574994 1 93 55.845 4.1711e-28 -4.2421 55.845000 Fe 1 0.549996 1 104 55.845 4.35451e-28 -4.2421 55.845000 Fe 0.5 0.549996 1 106 55.845 4.28351e-28 -4.2421 55.845000 Fe 0.5 0.566661 0.333333 107 55.845 1.08074e-28 -4.2421 55.845000 Fe 0.75 0.541663 0.333333 108 55.845 1.51461e-28 -4.2421 55.845000 Fe 0.25 0.541663 0.333333 109 55.845 1.56392e-28 -4.2421 55.845000 Fe 0.75 0.558329 0.666667 110 55.845 4.67006e-28 -4.2421 55.845000 Fe 1 0.566661 0.333333 111 55.845 1.10441e-28 -4.2421 55.845000 Fe 0.25 0.558329 0.666667 113 55.845 4.7233e-28 -4.2421 55.845000 Fe 0.5 0.599992 1 91 55.845 1.23062e-27 -4.2421 55.845000 Fe 0.75 0.591659 0.333333 94 55.845 8.58281e-28 -4.2421 55.845000 Fe 1 0.599992 1 95 55.845 1.23378e-27 -4.2421 55.845000 Fe 0.25 0.591659 0.333333 97 55.845 8.62028e-28 -4.2421 55.845000 Fe 0.75 0.608324 0.666667 100 55.845 5.68769e-28 -4.2421 55.845000 Fe 0.25 0.608324 0.666667 101 55.845 5.71727e-28 -4.2421 55.845000 Fe 1 0.583327 0.666667 112 55.845 3.25011e-28 -4.2421 55.845000 Fe 0.5 0.583327 0.666667 114 55.845 3.17911e-28 -4.2421 55.845000 Fe 0.75 0.62499 1 79 55.845 4.16519e-28 -4.2421 55.845000 Fe 1 0.649988 1 80 55.845 6.27933e-28 -4.2421 55.845000 Fe 0.25 0.62499 1 81 55.845 4.21843e-28 -4.2421 55.845000 Fe 0.5 0.649988 1 82 55.845 6.23989e-28 -4.2421 55.845000 Fe 0.75 0.641655 0.333333 84 55.845 1.01763e-28 -4.2421 55.845000 Fe 0.25 0.641655 0.333333 85 55.845 1.03932e-28 -4.2421 55.845000 Fe 1 0.616657 0.333333 96 55.845 1.70394e-28 -4.2421 55.845000 Fe 0.5 0.616657 0.333333 98 55.845 1.6645e-28 -4.2421 55.845000 Fe 0.5 0.633322 0.666667 99 55.845 4.79627e-28 -4.2421 55.845000 Fe 1 0.633322 0.666667 102 55.845 4.82783e-28 -4.2421 55.845000 Fe 0.75 0.674986 1 68 55.845 6.91831e-28 -4.2421 55.845000 Fe 0.25 0.674986 1 69 55.845 6.90056e-28 -4.2421 55.845000 Fe 0.75 0.691651 0.333333 70 55.845 1.7702e-27 -4.2421 55.845000 Fe 0.25 0.691651 0.333333 73 55.845 1.77237e-27 -4.2421 55.845000 Fe 0.5 0.666653 0.333333 83 55.845 1.78204e-27 -4.2421 55.845000 Fe 0.75 0.65832 0.666667 86 55.845 7.23385e-28 -4.2421 55.845000 Fe 1 0.666653 0.333333 87 55.845 1.79781e-27 -4.2421 55.845000 Fe 1 0.683318 0.666667 88 55.845 6.75265e-28 -4.2421 55.845000 Fe 0.25 0.65832 0.666667 89 55.845 7.22399e-28 -4.2421 55.845000 Fe 0.5 0.683318 0.666667 90 55.845 6.77632e-28 -4.2421 55.845000 Fe 0.75 0.724982 1 55 55.845 4.33873e-28 -4.2421 55.845000 Fe 0.25 0.724982 1 57 55.845 6.37597e-28 -4.2421 55.845000 Fe 0.5 0.699984 1 67 55.845 7.41529e-28 -4.2421 55.845000 Fe 1 0.699984 1 71 55.845 7.76239e-28 -4.2421 55.845000 Fe 1 0.716649 0.333333 72 55.845 2.17726e-28 -4.2421 55.845000 Fe 0.5 0.716649 0.333333 74 55.845 2.24036e-28 -4.2421 55.845000 Fe 0.75 0.708316 0.666667 76 55.845 6.22411e-28 -4.2421 55.845000 Fe 0.25 0.708316 0.666667 77 55.845 6.3168e-28 -4.2421 55.845000 Fe 1 0.74998 1 56 55.845 8.26726e-28 -4.2421 55.845000 Fe 0.5 0.74998 1 58 55.845 8.36193e-28 -4.2421 55.845000 Fe 0.5 0.766645 0.333333 59 55.845 4.12574e-28 -4.2421 55.845000 Fe 0.75 0.741647 0.333333 60 55.845 1.83095e-27 -4.2421 55.845000 Fe 0.25 0.741647 0.333333 61 55.845 1.83193e-27 -4.2421 55.845000 Fe 0.75 0.758312 0.666667 62 55.845 2.09837e-28 -4.2421 55.845000 Fe 1 0.766645 0.333333 63 55.845 4.14941e-28 -4.2421 55.845000 Fe 0.25 0.758312 0.666667 65 55.845 2.30742e-29 -4.2421 55.845000 Fe 0.5 0.733314 0.666667 75 55.845 8.46448e-28 -4.2421 55.845000 Fe 1 0.733314 0.666667 78 55.845 8.42503e-28 -4.2421 55.845000 Fe 0.5 0.799976 1 43 55.845 2.70106e-27 -4.2421 55.845000 Fe 0.75 0.774978 1 44 55.845 6.22411e-28 -4.2421 55.845000 Fe 0.25 0.774978 1 45 55.845 6.23595e-28 -4.2421 55.845000 Fe 0.75 0.791643 0.333333 46 55.845 1.21958e-27 -4.2421 55.845000 Fe 1 0.799976 1 47 55.845 2.65688e-27 -4.2421 55.845000 Fe 0.25 0.791643 0.333333 49 55.845 1.22411e-27 -4.2421 55.845000 Fe 1 0.78331 0.666667 64 55.845 2.84937e-27 -4.2421 55.845000 Fe 0.5 0.78331 0.666667 66 55.845 2.83911e-27 -4.2421 55.845000 Fe 0.75 0.824973 1 31 55.845 1.03183e-27 -4.2421 55.845000 Fe 0.25 0.824973 1 33 55.845 1.05786e-27 -4.2421 55.845000 Fe 0.75 0.841639 0.333333 36 55.845 8.61752e-27 -4.2421 55.845000 Fe 0.25 0.841639 0.333333 37 55.845 8.62225e-27 -4.2421 55.845000 Fe 1 0.816641 0.333333 48 55.845 7.08082e-27 -4.2421 55.845000 Fe 0.5 0.816641 0.333333 50 55.845 7.07608e-27 -4.2421 55.845000 Fe 0.5 0.833306 0.666667 51 55.845 1.85461e-27 -4.2421 55.845000 Fe 0.75 0.808308 0.666667 52 55.845 4.05317e-27 -4.2421 55.845000 Fe 0.25 0.808308 0.666667 53 55.845 4.0506e-27 -4.2421 55.845000 Fe 1 0.833306 0.666667 54 55.845 1.8554e-27 -4.2421 55.845000 Fe 0.75 0.874969 3.30058e-13 20 55.845 3.11665e-17 -4.2421 55.845000 Fe 0.25 0.874969 3.30058e-13 21 55.845 3.11665e-17 -4.2421 55.845000 Fe 1 0.849971 1 32 55.845 1.80299e-23 -4.2421 55.845000 Fe 0.5 0.849971 1 34 55.845 1.80299e-23 -4.2421 55.845000 Fe 0.5 0.866637 0.333333 35 55.845 4.83936e-19 -4.2421 55.845000 Fe 0.75 0.858304 0.666667 38 55.845 7.12692e-21 -4.2421 55.845000 Fe 1 0.866637 0.333333 39 55.845 4.83933e-19 -4.2421 55.845000 Fe 1 0.883302 0.666667 40 55.845 1.45164e-16 -4.2421 55.845000 Fe 0.25 0.858304 0.666667 41 55.845 7.12692e-21 -4.2421 55.845000 Fe 0.5 0.883302 0.666667 42 55.845 1.45164e-16 -4.2421 55.845000 Fe 0.5 0.899967 1 19 55.845 2.15744e-14 -4.2421 55.845000 Fe 0.75 0.891635 0.333333 22 55.845 2.18819e-16 -4.2421 55.845000 Fe 1 0.899967 1 23 55.845 2.15744e-14 -4.2421 55.845000 Fe 1 0.916633 0.333333 24 55.845 1.80223e-10 -4.2421 55.845000 Fe 0.25 0.891635 0.333333 25 55.845 2.18819e-16 -4.2421 55.845000 Fe 0.5 0.916633 0.333333 26 55.845 1.80223e-10 -4.2421 55.845000 Fe 0.75 0.9083 0.666667 28 55.845 9.74789e-13 -4.2421 55.845000 Fe 0.25 0.9083 0.666667 29 55.845 9.74789e-13 -4.2421 55.845000 Fe 0.75 0.924965 5.02167e-10 7 55.845 3.73225e-08 -4.2421 55.845000 Fe 1 0.949965 4.22762e-07 8 55.845 6.57656e-06 -4.24211 55.845000 Fe 0.25 0.924965 5.02167e-10 9 55.845 3.73225e-08 -4.2421 55.845000 Fe 0.5 0.949965 4.22762e-07 10 55.845 6.57656e-06 -4.24211 55.845000 Fe 0.75 0.941631 0.333335 12 55.845 2.09014e-07 -4.24207 55.845000 Fe 0.25 0.941631 0.333335 13 55.845 2.09014e-07 -4.24207 55.845000 Fe 0.75 0.958298 0.666682 14 55.845 1.27112e-05 -4.2421 55.845000 Fe 0.25 0.958298 0.666682 17 55.845 1.27112e-05 -4.2421 55.845000 Fe 0.5 0.933298 0.666667 27 55.845 1.10862e-07 -4.2421 55.845000 Fe 1 0.933298 0.666667 30 55.845 1.10862e-07 -4.2421 55.845000 Fe 0.75 0.974985 9.42995e-06 2 55.845 7.77342e-06 -4.2421 55.845000 Fe 0.25 0.974985 9.42995e-06 3 55.845 7.77342e-06 -4.2421 55.845000 Fe 0.75 0.991654 0.333346 4 55.845 1.64485e-05 -4.24212 55.845000 Fe 0.25 0.991654 0.333346 6 55.845 1.64485e-05 -4.24212 55.845000 Fe 0.5 0.966631 0.333329 11 55.845 2.03104e-05 -4.24207 55.845000 Fe 1 0.966631 0.333329 15 55.845 2.03104e-05 -4.24207 55.845000 Fe 1 0.983323 0.666767 16 55.845 1.16452e-05 -4.24208 55.845000 Fe 0.5 0.983323 0.666767 18 55.845 1.16452e-05 -4.24208