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 1.27111e-05 -4.2421 55.845000 Fe 0.25 0.00834461 0.666566 5 55.845 1.16453e-05 -4.24208 55.845000 Fe 0.75 0.00834461 0.666566 115 55.845 1.16453e-05 -4.24208 55.845000 Fe 0.5 0.0333692 0.666652 116 55.845 1.27111e-05 -4.2421 55.845000 Fe 0.75 0.0250362 4.77984e-06 225 55.845 2.03101e-05 -4.24207 55.845000 Fe 0.25 0.0250362 4.77984e-06 227 55.845 2.03101e-05 -4.24207 55.845000 Fe 0.5 1.30882e-05 0.999988 237 55.845 1.6449e-05 -4.24212 55.845000 Fe 1 1.30882e-05 0.999988 238 55.845 1.6449e-05 -4.24212 55.845000 Fe 1 0.0166826 0.333324 239 55.845 7.77343e-06 -4.2421 55.845000 Fe 0.5 0.0166826 0.333324 240 55.845 7.77343e-06 -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 6.57646e-06 -4.24211 55.845000 Fe 0.25 0.0417025 0.333333 231 55.845 6.57646e-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 2.18825e-16 -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 0.75 0.0917 0.333333 216 55.845 2.15739e-14 -4.2421 55.845000 Fe 1 0.100033 1 217 55.845 2.18825e-16 -4.2421 55.845000 Fe 0.25 0.0917 0.333333 219 55.845 2.15739e-14 -4.2421 55.845000 Fe 0.75 0.108365 0.666667 222 55.845 1.45166e-16 -4.2421 55.845000 Fe 0.25 0.108365 0.666667 223 55.845 1.45166e-16 -4.2421 55.845000 Fe 1 0.0833674 0.666667 234 55.845 9.74784e-13 -4.2421 55.845000 Fe 0.5 0.0833674 0.666667 236 55.845 9.74784e-13 -4.2421 55.845000 Fe 0.75 0.125031 7.32509e-15 201 55.845 4.83943e-19 -4.2421 55.845000 Fe 0.25 0.125031 7.18308e-15 203 55.845 4.83941e-19 -4.2421 55.845000 Fe 0.75 0.141696 0.333333 206 55.845 1.83999e-23 -4.2421 55.845000 Fe 0.25 0.141696 0.333333 207 55.845 1.83926e-23 -4.2421 55.845000 Fe 1 0.116698 0.333333 218 55.845 3.11672e-17 -4.2421 55.845000 Fe 0.5 0.116698 0.333333 220 55.845 3.11672e-17 -4.2421 55.845000 Fe 0.5 0.133363 0.666667 221 55.845 7.12712e-21 -4.2421 55.845000 Fe 1 0.133363 0.666667 224 55.845 7.12686e-21 -4.2421 55.845000 Fe 0.75 0.175027 1 190 55.845 1.34106e-28 -4.2421 55.845000 Fe 0.25 0.175027 1 191 55.845 1.39234e-28 -4.2421 55.845000 Fe 1 0.150029 1 202 55.845 1.06086e-26 -4.2421 55.845000 Fe 0.5 0.150029 1 204 55.845 1.0936e-26 -4.2421 55.845000 Fe 0.5 0.166694 0.333333 205 55.845 1.25429e-28 -4.2421 55.845000 Fe 0.75 0.158361 0.666667 208 55.845 3.23433e-29 -4.2421 55.845000 Fe 1 0.166694 0.333333 209 55.845 1.19907e-28 -4.2421 55.845000 Fe 1 0.183359 0.666667 210 55.845 9.46633e-30 -4.2421 55.845000 Fe 0.25 0.158361 0.666667 211 55.845 4.08236e-29 -4.2421 55.845000 Fe 0.5 0.183359 0.666667 212 55.845 2.99767e-29 -4.2421 55.845000 Fe 0.5 0.200024 1 189 55.845 1.56983e-28 -4.2421 55.845000 Fe 0.75 0.191692 0.333333 192 55.845 1.60928e-28 -4.2421 55.845000 Fe 1 0.200024 1 193 55.845 1.3884e-28 -4.2421 55.845000 Fe 1 0.21669 0.333333 194 55.845 1.03341e-28 -4.2421 55.845000 Fe 0.25 0.191692 0.333333 195 55.845 1.68422e-28 -4.2421 55.845000 Fe 0.5 0.21669 0.333333 196 55.845 1.23851e-28 -4.2421 55.845000 Fe 0.75 0.208357 0.666667 198 55.845 2.65057e-28 -4.2421 55.845000 Fe 0.25 0.208357 0.666667 199 55.845 2.81623e-28 -4.2421 55.845000 Fe 0.75 0.225022 1 177 55.845 6.15312e-29 -4.2421 55.845000 Fe 1 0.25002 1 178 55.845 1.64083e-28 -4.2421 55.845000 Fe 0.25 0.225022 1 179 55.845 7.45474e-29 -4.2421 55.845000 Fe 0.5 0.25002 1 180 55.845 1.74338e-28 -4.2421 55.845000 Fe 0.75 0.241688 0.333333 182 55.845 1.60928e-28 -4.2421 55.845000 Fe 0.25 0.241688 0.333333 183 55.845 1.77888e-28 -4.2421 55.845000 Fe 0.75 0.258353 0.666667 184 55.845 2.57169e-28 -4.2421 55.845000 Fe 0.25 0.258353 0.666667 187 55.845 2.70185e-28 -4.2421 55.845000 Fe 0.5 0.233355 0.666667 197 55.845 1.14385e-28 -4.2421 55.845000 Fe 1 0.233355 0.666667 200 55.845 1.00974e-28 -4.2421 55.845000 Fe 0.75 0.275018 1 166 55.845 1.64872e-28 -4.2421 55.845000 Fe 0.25 0.275018 1 167 55.845 1.81635e-28 -4.2421 55.845000 Fe 0.75 0.291684 0.333333 168 55.845 1.09652e-28 -4.2421 55.845000 Fe 0.25 0.291684 0.333333 171 55.845 1.23457e-28 -4.2421 55.845000 Fe 0.5 0.266686 0.333333 181 55.845 1.75127e-28 -4.2421 55.845000 Fe 1 0.266686 0.333333 185 55.845 1.61716e-28 -4.2421 55.845000 Fe 1 0.283351 0.666667 186 55.845 1.26218e-29 -4.2421 55.845000 Fe 0.5 0.283351 0.666667 188 55.845 3.78653e-29 -4.2421 55.845000 Fe 0.75 0.325014 1 153 55.845 1.3174e-28 -4.2421 55.845000 Fe 0.25 0.325014 1 155 55.845 1.44362e-28 -4.2421 55.845000 Fe 0.5 0.300016 1 165 55.845 7.17863e-29 -4.2421 55.845000 Fe 1 0.300016 1 169 55.845 5.99534e-29 -4.2421 55.845000 Fe 1 0.316682 0.333333 170 55.845 1.57772e-28 -4.2421 55.845000 Fe 0.5 0.316682 0.333333 172 55.845 1.82227e-28 -4.2421 55.845000 Fe 0.75 0.308349 0.666667 174 55.845 8.67747e-30 -4.2421 55.845000 Fe 0.25 0.308349 0.666667 175 55.845 1.32134e-29 -4.2421 55.845000 Fe 1 0.350012 1 154 55.845 1.07285e-28 -4.2421 55.845000 Fe 0.5 0.350012 1 156 55.845 1.3174e-28 -4.2421 55.845000 Fe 0.5 0.366678 0.333333 157 55.845 4.16519e-28 -4.2421 55.845000 Fe 0.75 0.34168 0.333333 158 55.845 1.26218e-28 -4.2421 55.845000 Fe 0.25 0.34168 0.333333 159 55.845 1.39234e-28 -4.2421 55.845000 Fe 0.75 0.358345 0.666667 160 55.845 2.44547e-29 -4.2421 55.845000 Fe 1 0.366678 0.333333 161 55.845 3.91275e-28 -4.2421 55.845000 Fe 0.25 0.358345 0.666667 163 55.845 4.31901e-29 -4.2421 55.845000 Fe 0.5 0.333347 0.666667 173 55.845 2.36658e-29 -4.2421 55.845000 Fe 1 0.333347 0.666667 176 55.845 6.31089e-30 -4.2421 55.845000 Fe 0.5 0.400008 1 141 55.845 9.54522e-29 -4.2421 55.845000 Fe 0.75 0.37501 1 142 55.845 1.06496e-28 -4.2421 55.845000 Fe 0.25 0.37501 1 143 55.845 1.22076e-28 -4.2421 55.845000 Fe 0.75 0.391676 0.333333 144 55.845 5.64036e-28 -4.2421 55.845000 Fe 1 0.400008 1 145 55.845 6.31089e-29 -4.2421 55.845000 Fe 0.25 0.391676 0.333333 147 55.845 5.81982e-28 -4.2421 55.845000 Fe 1 0.383343 0.666667 162 55.845 1.07285e-28 -4.2421 55.845000 Fe 0.5 0.383343 0.666667 164 55.845 1.2464e-28 -4.2421 55.845000 Fe 0.75 0.425006 1 129 55.845 1.10441e-28 -4.2421 55.845000 Fe 0.25 0.425006 1 131 55.845 1.27007e-28 -4.2421 55.845000 Fe 0.75 0.441671 0.333333 134 55.845 2.61113e-28 -4.2421 55.845000 Fe 0.25 0.441671 0.333333 135 55.845 2.77679e-28 -4.2421 55.845000 Fe 1 0.416673 0.333333 146 55.845 5.60091e-28 -4.2421 55.845000 Fe 0.5 0.416673 0.333333 148 55.845 5.87701e-28 -4.2421 55.845000 Fe 0.5 0.433339 0.666667 149 55.845 1.32529e-28 -4.2421 55.845000 Fe 0.75 0.408341 0.666667 150 55.845 5.91646e-29 -4.2421 55.845000 Fe 0.25 0.408341 0.666667 151 55.845 7.47446e-29 -4.2421 55.845000 Fe 1 0.433339 0.666667 152 55.845 1.0413e-28 -4.2421 55.845000 Fe 0.75 0.475002 1 124 55.845 6.31089e-30 -4.2421 55.845000 Fe 0.25 0.475002 1 125 55.845 2.2877e-29 -4.2421 55.845000 Fe 1 0.450004 1 130 55.845 3.15544e-30 -4.2421 55.845000 Fe 0.5 0.450004 1 132 55.845 3.15544e-29 -4.2421 55.845000 Fe 0.5 0.466669 0.333333 133 55.845 1.85382e-28 -4.2421 55.845000 Fe 0.75 0.458337 0.666667 136 55.845 1.57772e-28 -4.2421 55.845000 Fe 1 0.466669 0.333333 137 55.845 1.56983e-28 -4.2421 55.845000 Fe 0.25 0.458337 0.666667 139 55.845 1.74338e-28 -4.2421 55.845000 Fe 1 0.516665 0.333333 117 55.845 1.56983e-28 -4.2421 55.845000 Fe 0.5 0.516665 0.333333 118 55.845 1.85382e-28 -4.2421 55.845000 Fe 0.75 0.508333 0.666667 120 55.845 1.57772e-28 -4.2421 55.845000 Fe 0.25 0.508333 0.666667 121 55.845 1.74338e-28 -4.2421 55.845000 Fe 0.5 0.5 1 123 55.845 3.15544e-29 -4.2421 55.845000 Fe 0.75 0.491667 0.333333 126 55.845 1.60139e-28 -4.2421 55.845000 Fe 1 0.5 1 127 55.845 3.15544e-30 -4.2421 55.845000 Fe 0.25 0.491667 0.333333 128 55.845 1.76705e-28 -4.2421 55.845000 Fe 1 0.483335 0.666667 138 55.845 1.54617e-28 -4.2421 55.845000 Fe 0.5 0.483335 0.666667 140 55.845 1.83016e-28 -4.2421 55.845000 Fe 0.75 0.524998 1 103 55.845 1.07285e-28 -4.2421 55.845000 Fe 1 0.549996 1 104 55.845 8.64592e-28 -4.2421 55.845000 Fe 0.25 0.524998 1 105 55.845 1.23851e-28 -4.2421 55.845000 Fe 0.5 0.549996 1 106 55.845 8.92991e-28 -4.2421 55.845000 Fe 0.75 0.541663 0.333333 108 55.845 5.64036e-28 -4.2421 55.845000 Fe 0.25 0.541663 0.333333 109 55.845 5.80602e-28 -4.2421 55.845000 Fe 0.5 0.533331 0.666667 119 55.845 1.32529e-28 -4.2421 55.845000 Fe 1 0.533331 0.666667 122 55.845 1.0413e-28 -4.2421 55.845000 Fe 0.75 0.574994 1 92 55.845 2.11415e-28 -4.2421 55.845000 Fe 0.25 0.574994 1 93 55.845 2.43758e-28 -4.2421 55.845000 Fe 0.75 0.591659 0.333333 94 55.845 4.13363e-28 -4.2421 55.845000 Fe 0.25 0.591659 0.333333 97 55.845 4.21646e-28 -4.2421 55.845000 Fe 0.5 0.566661 0.333333 107 55.845 5.34848e-28 -4.2421 55.845000 Fe 0.75 0.558329 0.666667 110 55.845 1.57772e-28 -4.2421 55.845000 Fe 1 0.566661 0.333333 111 55.845 5.10393e-28 -4.2421 55.845000 Fe 1 0.583327 0.666667 112 55.845 2.05104e-28 -4.2421 55.845000 Fe 0.25 0.558329 0.666667 113 55.845 1.74338e-28 -4.2421 55.845000 Fe 0.5 0.583327 0.666667 114 55.845 2.29559e-28 -4.2421 55.845000 Fe 0.75 0.62499 1 79 55.845 1.32529e-27 -4.2421 55.845000 Fe 0.25 0.62499 1 81 55.845 1.33357e-27 -4.2421 55.845000 Fe 0.5 0.599992 1 91 55.845 2.2877e-28 -4.2421 55.845000 Fe 1 0.599992 1 95 55.845 2.08259e-28 -4.2421 55.845000 Fe 1 0.616657 0.333333 96 55.845 1.01526e-27 -4.2421 55.845000 Fe 0.5 0.616657 0.333333 98 55.845 1.03814e-27 -4.2421 55.845000 Fe 0.75 0.608324 0.666667 100 55.845 2.02579e-27 -4.2421 55.845000 Fe 0.25 0.608324 0.666667 101 55.845 2.04256e-27 -4.2421 55.845000 Fe 1 0.649988 1 80 55.845 2.58746e-28 -4.2421 55.845000 Fe 0.5 0.649988 1 82 55.845 2.96612e-28 -4.2421 55.845000 Fe 0.5 0.666653 0.333333 83 55.845 2.20881e-28 -4.2421 55.845000 Fe 0.75 0.641655 0.333333 84 55.845 8.21204e-28 -4.2421 55.845000 Fe 0.25 0.641655 0.333333 85 55.845 8.35995e-28 -4.2421 55.845000 Fe 0.75 0.65832 0.666667 86 55.845 5.14337e-28 -4.2421 55.845000 Fe 1 0.666653 0.333333 87 55.845 2.05104e-28 -4.2421 55.845000 Fe 0.25 0.65832 0.666667 89 55.845 5.21831e-28 -4.2421 55.845000 Fe 0.5 0.633322 0.666667 99 55.845 1.91457e-27 -4.2421 55.845000 Fe 1 0.633322 0.666667 102 55.845 1.87433e-27 -4.2421 55.845000 Fe 0.5 0.699984 1 67 55.845 1.53118e-27 -4.2421 55.845000 Fe 0.75 0.674986 1 68 55.845 2.16148e-28 -4.2421 55.845000 Fe 0.25 0.674986 1 69 55.845 2.28967e-28 -4.2421 55.845000 Fe 0.75 0.691651 0.333333 70 55.845 2.60324e-28 -4.2421 55.845000 Fe 1 0.699984 1 71 55.845 1.53039e-27 -4.2421 55.845000 Fe 0.25 0.691651 0.333333 73 55.845 2.69002e-28 -4.2421 55.845000 Fe 1 0.683318 0.666667 88 55.845 7.09975e-28 -4.2421 55.845000 Fe 0.5 0.683318 0.666667 90 55.845 7.36007e-28 -4.2421 55.845000 Fe 0.75 0.724982 1 55 55.845 1.54143e-27 -4.2421 55.845000 Fe 0.25 0.724982 1 57 55.845 1.56648e-27 -4.2421 55.845000 Fe 1 0.716649 0.333333 72 55.845 8.66169e-28 -4.2421 55.845000 Fe 0.5 0.716649 0.333333 74 55.845 8.78002e-28 -4.2421 55.845000 Fe 0.5 0.733314 0.666667 75 55.845 6.26356e-28 -4.2421 55.845000 Fe 0.75 0.708316 0.666667 76 55.845 7.21019e-28 -4.2421 55.845000 Fe 0.25 0.708316 0.666667 77 55.845 7.26738e-28 -4.2421 55.845000 Fe 1 0.733314 0.666667 78 55.845 6.09001e-28 -4.2421 55.845000 Fe 0.75 0.774978 1 44 55.845 1.02946e-27 -4.2421 55.845000 Fe 0.25 0.774978 1 45 55.845 1.04051e-27 -4.2421 55.845000 Fe 1 0.74998 1 56 55.845 9.46633e-30 -4.2421 55.845000 Fe 0.5 0.74998 1 58 55.845 2.60324e-29 -4.2421 55.845000 Fe 0.5 0.766645 0.333333 59 55.845 6.22411e-28 -4.2421 55.845000 Fe 0.75 0.741647 0.333333 60 55.845 4.25196e-28 -4.2421 55.845000 Fe 0.25 0.741647 0.333333 61 55.845 4.32099e-28 -4.2421 55.845000 Fe 0.75 0.758312 0.666667 62 55.845 4.10997e-28 -4.2421 55.845000 Fe 1 0.766645 0.333333 63 55.845 6.09789e-28 -4.2421 55.845000 Fe 0.25 0.758312 0.666667 65 55.845 4.18885e-28 -4.2421 55.845000 Fe 0.5 0.799976 1 43 55.845 2.35081e-28 -4.2421 55.845000 Fe 0.75 0.791643 0.333333 46 55.845 2.03526e-28 -4.2421 55.845000 Fe 1 0.799976 1 47 55.845 2.20881e-28 -4.2421 55.845000 Fe 0.25 0.791643 0.333333 49 55.845 2.12992e-28 -4.2421 55.845000 Fe 0.75 0.808308 0.666667 52 55.845 1.01684e-27 -4.2421 55.845000 Fe 0.25 0.808308 0.666667 53 55.845 1.0478e-27 -4.2421 55.845000 Fe 1 0.78331 0.666667 64 55.845 1.02552e-27 -4.2421 55.845000 Fe 0.5 0.78331 0.666667 66 55.845 1.05628e-27 -4.2421 55.845000 Fe 0.75 0.824973 1 31 55.845 6.23989e-28 -4.2421 55.845000 Fe 1 0.849971 1 32 55.845 1.84153e-23 -4.2421 55.845000 Fe 0.25 0.824973 1 33 55.845 6.29117e-28 -4.2421 55.845000 Fe 0.5 0.849971 1 34 55.845 1.84155e-23 -4.2421 55.845000 Fe 0.75 0.841639 0.333333 36 55.845 1.27188e-26 -4.2421 55.845000 Fe 0.25 0.841639 0.333333 37 55.845 1.309e-26 -4.2421 55.845000 Fe 1 0.816641 0.333333 48 55.845 1.02394e-27 -4.2421 55.845000 Fe 0.5 0.816641 0.333333 50 55.845 1.01842e-27 -4.2421 55.845000 Fe 0.5 0.833306 0.666667 51 55.845 4.57539e-28 -4.2421 55.845000 Fe 1 0.833306 0.666667 54 55.845 4.2914e-28 -4.2421 55.845000 Fe 0.75 0.874969 3.30392e-13 20 55.845 3.11677e-17 -4.2421 55.845000 Fe 0.25 0.874969 3.30534e-13 21 55.845 3.11677e-17 -4.2421 55.845000 Fe 0.5 0.866637 0.333333 35 55.845 4.83922e-19 -4.2421 55.845000 Fe 0.75 0.858304 0.666667 38 55.845 7.12922e-21 -4.2421 55.845000 Fe 1 0.866637 0.333333 39 55.845 4.83919e-19 -4.2421 55.845000 Fe 1 0.883302 0.666667 40 55.845 1.45165e-16 -4.2421 55.845000 Fe 0.25 0.858304 0.666667 41 55.845 7.12923e-21 -4.2421 55.845000 Fe 0.5 0.883302 0.666667 42 55.845 1.45165e-16 -4.2421 55.845000 Fe 0.75 0.924965 5.02168e-10 7 55.845 3.73225e-08 -4.2421 55.845000 Fe 0.25 0.924965 5.02168e-10 9 55.845 3.73225e-08 -4.2421 55.845000 Fe 0.5 0.899967 1 19 55.845 2.15739e-14 -4.2421 55.845000 Fe 0.75 0.891635 0.333333 22 55.845 2.18825e-16 -4.2421 55.845000 Fe 1 0.899967 1 23 55.845 2.15739e-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 2.18825e-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 9.74784e-13 -4.2421 55.845000 Fe 0.25 0.9083 0.666667 29 55.845 9.74784e-13 -4.2421 55.845000 Fe 1 0.949965 4.22762e-07 8 55.845 6.57646e-06 -4.24211 55.845000 Fe 0.5 0.949965 4.22762e-07 10 55.845 6.57646e-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 1.27111e-05 -4.2421 55.845000 Fe 0.25 0.958298 0.666682 17 55.845 1.27111e-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 9.42996e-06 2 55.845 7.77343e-06 -4.2421 55.845000 Fe 0.25 0.974985 9.42996e-06 3 55.845 7.77343e-06 -4.2421 55.845000 Fe 0.75 0.991654 0.333346 4 55.845 1.6449e-05 -4.24212 55.845000 Fe 0.25 0.991654 0.333346 6 55.845 1.6449e-05 -4.24212 55.845000 Fe 0.5 0.966631 0.333329 11 55.845 2.03101e-05 -4.24207 55.845000 Fe 1 0.966631 0.333329 15 55.845 2.03101e-05 -4.24207 55.845000 Fe 1 0.983323 0.666767 16 55.845 1.16453e-05 -4.24208 55.845000 Fe 0.5 0.983323 0.666767 18 55.845 1.16453e-05 -4.24208