Number of particles = 240 A = 1 Angstrom (basic length-scale) H0(1,1) = 4.85095 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 84.0209 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 5.94117 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 0.0333333 0.666667 113 55.845 4.105e-18 -3.99065 55.845000 Fe 0.25 0.00833333 0.666667 114 55.845 1.00609e-17 -3.99065 55.845000 Fe 0.75 0.025 1 223 55.845 3.70645e-18 -3.99065 55.845000 Fe 0.25 0.025 1 225 55.845 3.70645e-18 -3.99065 55.845000 Fe 0.75 0.0416667 0.333333 228 55.845 4.96113e-18 -3.99065 55.845000 Fe 0.25 0.0416667 0.333333 229 55.845 4.96113e-18 -3.99065 55.845000 Fe 0.5 8.02342e-12 2.78684e-13 235 55.845 6.45823e-18 -3.99065 55.845000 Fe 1 8.02342e-12 2.78674e-13 236 55.845 6.45823e-18 -3.99065 55.845000 Fe 1 0.0166667 0.333333 237 55.845 6.72778e-18 -3.99065 55.845000 Fe 0.5 0.0166667 0.333333 238 55.845 6.72778e-18 -3.99065 55.845000 Fe 0.5 0.0333333 0.666667 239 55.845 4.105e-18 -3.99065 55.845000 Fe 0.75 0.00833333 0.666667 240 55.845 1.00608e-17 -3.99065 55.845000 Fe 0.75 0.075 1.57404e-14 212 55.845 5.50413e-21 -3.99065 55.845000 Fe 0.25 0.075 1.55581e-14 213 55.845 5.50439e-21 -3.99065 55.845000 Fe 0.75 0.0916667 0.333333 214 55.845 6.63001e-23 -3.99065 55.845000 Fe 0.25 0.0916667 0.333333 217 55.845 6.62999e-23 -3.99065 55.845000 Fe 1 0.05 4.53012e-12 224 55.845 3.55422e-18 -3.99065 55.845000 Fe 0.5 0.05 4.53028e-12 226 55.845 3.55423e-18 -3.99065 55.845000 Fe 0.5 0.0666667 0.333333 227 55.845 5.68715e-19 -3.99065 55.845000 Fe 0.75 0.0583333 0.666667 230 55.845 1.9051e-18 -3.99065 55.845000 Fe 1 0.0666667 0.333333 231 55.845 5.68714e-19 -3.99065 55.845000 Fe 1 0.0833333 0.666667 232 55.845 5.43314e-22 -3.99065 55.845000 Fe 0.25 0.0583333 0.666667 233 55.845 1.9051e-18 -3.99065 55.845000 Fe 0.5 0.0833333 0.666667 234 55.845 5.43284e-22 -3.99065 55.845000 Fe 0.75 0.125 2.76649e-16 199 55.845 3.80143e-28 -3.99065 55.845000 Fe 0.25 0.125 2.91812e-16 201 55.845 3.84013e-28 -3.99065 55.845000 Fe 0.75 0.141667 0.333333 204 55.845 5.62063e-29 -3.99065 55.845000 Fe 0.25 0.141667 0.333333 205 55.845 6.80393e-29 -3.99065 55.845000 Fe 0.5 0.1 5.26297e-16 211 55.845 4.18569e-24 -3.99065 55.845000 Fe 1 0.1 6.68701e-16 215 55.845 4.1854e-24 -3.99065 55.845000 Fe 1 0.116667 0.333333 216 55.845 4.11006e-26 -3.99065 55.845000 Fe 0.5 0.116667 0.333333 218 55.845 4.10746e-26 -3.99065 55.845000 Fe 0.5 0.133333 0.666667 219 55.845 6.88676e-28 -3.99065 55.845000 Fe 0.75 0.108333 0.666667 220 55.845 4.73098e-25 -3.99065 55.845000 Fe 0.25 0.108333 0.666667 221 55.845 4.7313e-25 -3.99065 55.845000 Fe 1 0.133333 0.666667 222 55.845 6.83942e-28 -3.99065 55.845000 Fe 0.75 0.175 1.87536e-16 188 55.845 1.69046e-28 -3.99065 55.845000 Fe 0.25 0.175 2.35969e-16 189 55.845 1.74198e-28 -3.99065 55.845000 Fe 1 0.15 1.66676e-16 200 55.845 1.15424e-29 -3.99065 55.845000 Fe 0.5 0.15 2.66195e-16 202 55.845 1.13101e-28 -3.99065 55.845000 Fe 0.5 0.166667 0.333333 203 55.845 1.66252e-28 -3.99065 55.845000 Fe 0.75 0.158333 0.666667 206 55.845 7.57306e-29 -3.99065 55.845000 Fe 1 0.166667 0.333333 207 55.845 1.629e-28 -3.99065 55.845000 Fe 1 0.183333 0.666667 208 55.845 4.57539e-29 -3.99065 55.845000 Fe 0.25 0.158333 0.666667 209 55.845 6.38977e-29 -3.99065 55.845000 Fe 0.5 0.183333 0.666667 210 55.845 3.3921e-29 -3.99065 55.845000 Fe 0.75 0.225 1 175 55.845 5.65613e-28 -3.99065 55.845000 Fe 0.25 0.225 1 177 55.845 5.79418e-28 -3.99065 55.845000 Fe 0.5 0.2 1.59573e-16 187 55.845 7.87944e-29 -3.99065 55.845000 Fe 0.75 0.191667 0.333333 190 55.845 2.6841e-28 -3.99065 55.845000 Fe 1 0.2 1.65471e-16 191 55.845 7.61187e-29 -3.99065 55.845000 Fe 1 0.216667 0.333333 192 55.845 2.20289e-28 -3.99065 55.845000 Fe 0.25 0.191667 0.333333 193 55.845 2.82215e-28 -3.99065 55.845000 Fe 0.5 0.216667 0.333333 194 55.845 2.34489e-28 -3.99065 55.845000 Fe 0.5 0.233333 0.666667 195 55.845 5.76657e-28 -3.99065 55.845000 Fe 0.75 0.208333 0.666667 196 55.845 1.61716e-28 -3.99065 55.845000 Fe 0.25 0.208333 0.666667 197 55.845 1.83607e-28 -3.99065 55.845000 Fe 1 0.233333 0.666667 198 55.845 5.79024e-28 -3.99065 55.845000 Fe 0.75 0.275 2.38204e-17 164 55.845 5.28297e-30 -3.99065 55.845000 Fe 0.25 0.275 1.33523e-17 165 55.845 2.83505e-29 -3.99065 55.845000 Fe 1 0.25 1 176 55.845 2.20881e-28 -3.99065 55.845000 Fe 0.5 0.25 1 178 55.845 2.20881e-28 -3.99065 55.845000 Fe 0.5 0.266667 0.333333 179 55.845 2.66241e-29 -3.99065 55.845000 Fe 0.75 0.241667 0.333333 180 55.845 2.68213e-28 -3.99065 55.845000 Fe 0.25 0.241667 0.333333 181 55.845 2.94048e-28 -3.99065 55.845000 Fe 0.75 0.258333 0.666667 182 55.845 4.12574e-28 -3.99065 55.845000 Fe 1 0.266667 0.333333 183 55.845 1.63689e-29 -3.99065 55.845000 Fe 1 0.283333 0.666667 184 55.845 1.19907e-28 -3.99065 55.845000 Fe 0.25 0.258333 0.666667 185 55.845 4.24802e-28 -3.99065 55.845000 Fe 0.5 0.283333 0.666667 186 55.845 1.25429e-28 -3.99065 55.845000 Fe 0.75 0.325 2.74377e-17 151 55.845 2.98581e-29 -3.99065 55.845000 Fe 0.25 0.325 5.17653e-17 153 55.845 5.99799e-29 -3.99065 55.845000 Fe 0.5 0.3 6.11533e-17 163 55.845 2.2474e-28 -3.99065 55.845000 Fe 0.75 0.291667 0.333333 166 55.845 5.71924e-29 -3.99065 55.845000 Fe 1 0.3 9.03354e-17 167 55.845 2.19898e-28 -3.99065 55.845000 Fe 1 0.316667 0.333333 168 55.845 1.18132e-28 -3.99065 55.845000 Fe 0.25 0.291667 0.333333 169 55.845 8.59858e-29 -3.99065 55.845000 Fe 0.5 0.316667 0.333333 170 55.845 1.23457e-28 -3.99065 55.845000 Fe 0.75 0.308333 0.666667 172 55.845 5.64824e-28 -3.99065 55.845000 Fe 0.25 0.308333 0.666667 173 55.845 5.96576e-28 -3.99065 55.845000 Fe 0.75 0.375 1 140 55.845 2.72946e-28 -3.99065 55.845000 Fe 0.25 0.375 1 141 55.845 2.81229e-28 -3.99065 55.845000 Fe 1 0.35 2.46796e-21 152 55.845 2.71415e-28 -3.99065 55.845000 Fe 0.5 0.35 6.68766e-17 154 55.845 2.86147e-28 -3.99065 55.845000 Fe 0.5 0.366667 0.333333 155 55.845 7.5139e-29 -3.99065 55.845000 Fe 0.75 0.341667 0.333333 156 55.845 1.83607e-28 -3.99065 55.845000 Fe 0.25 0.341667 0.333333 157 55.845 1.9189e-28 -3.99065 55.845000 Fe 0.75 0.358333 0.666667 158 55.845 7.17863e-29 -3.99065 55.845000 Fe 1 0.366667 0.333333 159 55.845 7.17863e-29 -3.99065 55.845000 Fe 0.25 0.358333 0.666667 161 55.845 8.85496e-29 -3.99065 55.845000 Fe 0.5 0.333333 0.666667 171 55.845 1.41995e-28 -3.99065 55.845000 Fe 1 0.333333 0.666667 174 55.845 1.3174e-28 -3.99065 55.845000 Fe 0.75 0.425 5.80026e-21 127 55.845 2.08896e-28 -3.99065 55.845000 Fe 0.25 0.425 1 129 55.845 2.39814e-28 -3.99065 55.845000 Fe 0.5 0.4 6.68766e-17 139 55.845 1.29201e-28 -3.99065 55.845000 Fe 0.75 0.391667 0.333333 142 55.845 1.57575e-28 -3.99065 55.845000 Fe 1 0.4 6.68766e-17 143 55.845 1.32357e-28 -3.99065 55.845000 Fe 1 0.416667 0.333333 144 55.845 4.23421e-28 -3.99065 55.845000 Fe 0.25 0.391667 0.333333 145 55.845 1.77494e-28 -3.99065 55.845000 Fe 0.5 0.416667 0.333333 146 55.845 4.20266e-28 -3.99065 55.845000 Fe 0.75 0.408333 0.666667 148 55.845 5.52203e-30 -3.99065 55.845000 Fe 0.25 0.408333 0.666667 149 55.845 1.87354e-29 -3.99065 55.845000 Fe 1 0.383333 0.666667 160 55.845 2.81623e-28 -3.99065 55.845000 Fe 0.5 0.383333 0.666667 162 55.845 2.76101e-28 -3.99065 55.845000 Fe 0.75 0.475 6.68766e-17 122 55.845 4.11933e-28 -3.99065 55.845000 Fe 0.25 0.475 6.68766e-17 123 55.845 4.23175e-28 -3.99065 55.845000 Fe 1 0.45 6.68766e-17 128 55.845 2.24422e-27 -3.99065 55.845000 Fe 0.5 0.45 6.68766e-17 130 55.845 2.24146e-27 -3.99065 55.845000 Fe 0.5 0.466667 0.333333 131 55.845 2.16937e-28 -3.99065 55.845000 Fe 0.75 0.441667 0.333333 132 55.845 2.22695e-27 -3.99065 55.845000 Fe 0.25 0.441667 0.333333 133 55.845 2.24273e-27 -3.99065 55.845000 Fe 0.75 0.458333 0.666667 134 55.845 8.13316e-28 -3.99065 55.845000 Fe 1 0.466667 0.333333 135 55.845 2.24825e-28 -3.99065 55.845000 Fe 0.25 0.458333 0.666667 137 55.845 8.24754e-28 -3.99065 55.845000 Fe 0.5 0.433333 0.666667 147 55.845 8.40926e-28 -3.99065 55.845000 Fe 1 0.433333 0.666667 150 55.845 8.23571e-28 -3.99065 55.845000 Fe 1 0.516667 0.333333 115 55.845 5.2124e-28 -3.99065 55.845000 Fe 0.5 0.516667 0.333333 116 55.845 5.18873e-28 -3.99065 55.845000 Fe 0.75 0.508333 0.666667 118 55.845 8.6538e-28 -3.99065 55.845000 Fe 0.25 0.508333 0.666667 119 55.845 8.81355e-28 -3.99065 55.845000 Fe 0.5 0.5 6.68766e-17 121 55.845 2.19065e-28 -3.99065 55.845000 Fe 0.75 0.491667 0.333333 124 55.845 5.44314e-29 -3.99065 55.845000 Fe 1 0.5 6.68766e-17 125 55.845 2.21433e-28 -3.99065 55.845000 Fe 0.25 0.491667 0.333333 126 55.845 6.58699e-29 -3.99065 55.845000 Fe 1 0.483333 0.666667 136 55.845 1.18329e-28 -3.99065 55.845000 Fe 0.5 0.483333 0.666667 138 55.845 1.16751e-28 -3.99065 55.845000 Fe 0.75 0.525 6.68766e-17 101 55.845 8.14647e-28 -3.99065 55.845000 Fe 1 0.55 6.68766e-17 102 55.845 2.24062e-27 -3.99065 55.845000 Fe 0.25 0.525 6.68766e-17 103 55.845 8.26085e-28 -3.99065 55.845000 Fe 0.5 0.55 6.68766e-17 104 55.845 2.24264e-27 -3.99065 55.845000 Fe 0.5 0.566667 0.333333 105 55.845 2.28572e-28 -3.99065 55.845000 Fe 0.75 0.541667 0.333333 106 55.845 4.07841e-28 -3.99065 55.845000 Fe 0.25 0.541667 0.333333 107 55.845 4.27563e-28 -3.99065 55.845000 Fe 0.75 0.558333 0.666667 108 55.845 2.09048e-28 -3.99065 55.845000 Fe 1 0.566667 0.333333 109 55.845 2.19303e-28 -3.99065 55.845000 Fe 0.25 0.558333 0.666667 111 55.845 2.24825e-28 -3.99065 55.845000 Fe 0.5 0.533333 0.666667 117 55.845 8.31459e-28 -3.99065 55.845000 Fe 1 0.533333 0.666667 120 55.845 8.25937e-28 -3.99065 55.845000 Fe 0.5 0.6 6.68766e-17 89 55.845 8.37524e-28 -3.99065 55.845000 Fe 0.75 0.575 2.00795e-21 90 55.845 2.22704e-27 -3.99065 55.845000 Fe 0.25 0.575 6.68766e-17 91 55.845 2.24579e-27 -3.99065 55.845000 Fe 0.75 0.591667 0.333333 92 55.845 8.14499e-28 -3.99065 55.845000 Fe 1 0.6 3.7717e-21 93 55.845 8.27034e-28 -3.99065 55.845000 Fe 1 0.616667 0.333333 94 55.845 1.0269e-27 -3.99065 55.845000 Fe 0.25 0.591667 0.333333 95 55.845 8.27712e-28 -3.99065 55.845000 Fe 0.5 0.616667 0.333333 96 55.845 1.03656e-27 -3.99065 55.845000 Fe 0.75 0.608333 0.666667 98 55.845 4.12574e-28 -3.99065 55.845000 Fe 0.25 0.608333 0.666667 99 55.845 4.60892e-28 -3.99065 55.845000 Fe 1 0.583333 0.666667 110 55.845 4.24407e-28 -3.99065 55.845000 Fe 0.5 0.583333 0.666667 112 55.845 4.29929e-28 -3.99065 55.845000 Fe 0.75 0.625 6.68766e-17 77 55.845 9.77209e-30 -3.99065 55.845000 Fe 1 0.65 6.68766e-17 78 55.845 2.73883e-28 -3.99065 55.845000 Fe 0.25 0.625 6.68766e-17 79 55.845 2.14078e-29 -3.99065 55.845000 Fe 0.5 0.65 6.68766e-17 80 55.845 2.79405e-28 -3.99065 55.845000 Fe 0.5 0.666667 0.333333 81 55.845 7.43501e-29 -3.99065 55.845000 Fe 0.75 0.641667 0.333333 82 55.845 4.09419e-28 -3.99065 55.845000 Fe 0.25 0.641667 0.333333 83 55.845 4.89488e-28 -3.99065 55.845000 Fe 0.75 0.658333 0.666667 84 55.845 1.47044e-27 -3.99065 55.845000 Fe 1 0.666667 0.333333 85 55.845 1.19315e-28 -3.99065 55.845000 Fe 0.25 0.658333 0.666667 87 55.845 2.84976e-28 -3.99065 55.845000 Fe 0.5 0.633333 0.666667 97 55.845 8.81946e-28 -3.99065 55.845000 Fe 1 0.633333 0.666667 100 55.845 8.77213e-28 -3.99065 55.845000 Fe 0.5 0.7 1 65 55.845 2.42969e-28 -3.99065 55.845000 Fe 0.75 0.675 1 66 55.845 7.28907e-28 -3.99065 55.845000 Fe 0.25 0.675 6.68766e-17 67 55.845 6.08508e-28 -3.99065 55.845000 Fe 0.75 0.691667 0.333333 68 55.845 2.17726e-28 -3.99065 55.845000 Fe 1 0.7 1 69 55.845 1.49884e-27 -3.99065 55.845000 Fe 0.25 0.691667 0.333333 71 55.845 2.27389e-28 -3.99065 55.845000 Fe 0.75 0.708333 0.666667 74 55.845 1.06496e-28 -3.99065 55.845000 Fe 0.25 0.708333 0.666667 75 55.845 1.27204e-28 -3.99065 55.845000 Fe 1 0.683333 0.666667 86 55.845 6.7842e-28 -3.99065 55.845000 Fe 0.5 0.683333 0.666667 88 55.845 7.38374e-28 -3.99065 55.845000 Fe 0.75 0.725 1 53 55.845 4.7095e-28 -3.99065 55.845000 Fe 1 0.75 1 54 55.845 6.31089e-28 -3.99065 55.845000 Fe 0.25 0.725 1 55 55.845 4.90277e-28 -3.99065 55.845000 Fe 0.5 0.75 1 56 55.845 6.35822e-28 -3.99065 55.845000 Fe 0.75 0.741667 0.333333 58 55.845 2.02501e-27 -3.99065 55.845000 Fe 0.25 0.741667 0.333333 59 55.845 2.03408e-27 -3.99065 55.845000 Fe 0.75 0.758333 0.666667 60 55.845 3.44574e-27 -3.99065 55.845000 Fe 0.25 0.758333 0.666667 63 55.845 3.45304e-27 -3.99065 55.845000 Fe 1 0.716667 0.333333 70 55.845 1.02808e-27 -3.99065 55.845000 Fe 0.5 0.716667 0.333333 72 55.845 8.96343e-28 -3.99065 55.845000 Fe 0.5 0.733333 0.666667 73 55.845 8.25149e-28 -3.99065 55.845000 Fe 1 0.733333 0.666667 76 55.845 8.23571e-28 -3.99065 55.845000 Fe 0.5 0.8 8.22402e-17 41 55.845 8.3983e-28 -3.99065 55.845000 Fe 0.75 0.775 2.12002e-17 42 55.845 6.22598e-28 -3.99065 55.845000 Fe 0.25 0.775 6.68766e-17 43 55.845 6.33933e-28 -3.99065 55.845000 Fe 0.75 0.791667 0.333333 44 55.845 8.19232e-28 -3.99065 55.845000 Fe 1 0.8 6.76285e-17 45 55.845 8.21356e-28 -3.99065 55.845000 Fe 0.25 0.791667 0.333333 47 55.845 8.39348e-28 -3.99065 55.845000 Fe 0.75 0.808333 0.666667 50 55.845 8.18838e-28 -3.99065 55.845000 Fe 0.25 0.808333 0.666667 51 55.845 8.2436e-28 -3.99065 55.845000 Fe 0.5 0.766667 0.333333 57 55.845 3.44555e-27 -3.99065 55.845000 Fe 1 0.766667 0.333333 61 55.845 3.44377e-27 -3.99065 55.845000 Fe 1 0.783333 0.666667 62 55.845 2.02895e-27 -3.99065 55.845000 Fe 0.5 0.783333 0.666667 64 55.845 2.06366e-27 -3.99065 55.845000 Fe 0.75 0.825 6.68766e-17 29 55.845 1.02561e-27 -3.99065 55.845000 Fe 1 0.85 3.07101e-17 30 55.845 8.22249e-28 -3.99065 55.845000 Fe 0.25 0.825 1.49432e-16 31 55.845 1.06822e-27 -3.99065 55.845000 Fe 0.5 0.85 6.68766e-17 32 55.845 8.82171e-28 -3.99065 55.845000 Fe 0.75 0.841667 0.333333 34 55.845 1.02473e-27 -3.99065 55.845000 Fe 0.25 0.841667 0.333333 35 55.845 1.02572e-27 -3.99065 55.845000 Fe 1 0.816667 0.333333 46 55.845 4.41368e-28 -3.99065 55.845000 Fe 0.5 0.816667 0.333333 48 55.845 4.28351e-28 -3.99065 55.845000 Fe 0.5 0.833333 0.666667 49 55.845 2.36658e-29 -3.99065 55.845000 Fe 1 0.833333 0.666667 52 55.845 5.1276e-29 -3.99065 55.845000 Fe 0.5 0.9 1 17 55.845 6.63333e-23 -3.99065 55.845000 Fe 0.75 0.875 1 18 55.845 3.08989e-26 -3.99065 55.845000 Fe 0.25 0.875 3.77432e-17 19 55.845 3.09113e-26 -3.99065 55.845000 Fe 0.75 0.891667 0.333333 20 55.845 4.12387e-24 -3.99065 55.845000 Fe 1 0.9 1 21 55.845 6.6332e-23 -3.99065 55.845000 Fe 0.25 0.891667 0.333333 23 55.845 4.12441e-24 -3.99065 55.845000 Fe 0.5 0.866667 0.333333 33 55.845 4.4192e-27 -3.99065 55.845000 Fe 0.75 0.858333 0.666667 36 55.845 6.48444e-28 -3.99065 55.845000 Fe 1 0.866667 0.333333 37 55.845 4.39869e-27 -3.99065 55.845000 Fe 1 0.883333 0.666667 38 55.845 4.41742e-25 -3.99065 55.845000 Fe 0.25 0.858333 0.666667 39 55.845 6.69151e-28 -3.99065 55.845000 Fe 0.5 0.883333 0.666667 40 55.845 4.4232e-25 -3.99065 55.845000 Fe 0.75 0.925 1 5 55.845 5.68744e-19 -3.99065 55.845000 Fe 1 0.95 1 6 55.845 4.96095e-18 -3.99065 55.845000 Fe 0.25 0.925 1 7 55.845 5.68744e-19 -3.99065 55.845000 Fe 0.5 0.95 1 8 55.845 4.96096e-18 -3.99065 55.845000 Fe 0.75 0.941667 0.333333 10 55.845 3.5542e-18 -3.99065 55.845000 Fe 0.25 0.941667 0.333333 11 55.845 3.5542e-18 -3.99065 55.845000 Fe 1 0.916667 0.333333 22 55.845 5.50508e-21 -3.99065 55.845000 Fe 0.5 0.916667 0.333333 24 55.845 5.50474e-21 -3.99065 55.845000 Fe 0.5 0.933333 0.666667 25 55.845 1.90505e-18 -3.99065 55.845000 Fe 0.75 0.908333 0.666667 26 55.845 5.42508e-22 -3.99065 55.845000 Fe 0.25 0.908333 0.666667 27 55.845 5.42537e-22 -3.99065 55.845000 Fe 1 0.933333 0.666667 28 55.845 1.90505e-18 -3.99065 55.845000 Fe 0.75 0.975 2.7578e-15 1 55.845 6.72786e-18 -3.99065 55.845000 Fe 0.25 0.975 2.7578e-15 2 55.845 6.72786e-18 -3.99065 55.845000 Fe 0.75 0.991667 0.333333 3 55.845 6.45812e-18 -3.99065 55.845000 Fe 0.25 0.991667 0.333333 4 55.845 6.45812e-18 -3.99065 55.845000 Fe 0.5 0.966667 0.333333 9 55.845 3.70641e-18 -3.99065 55.845000 Fe 0.75 0.958333 0.666667 12 55.845 4.10518e-18 -3.99065 55.845000 Fe 1 0.966667 0.333333 13 55.845 3.70641e-18 -3.99065 55.845000 Fe 1 0.983333 0.666667 14 55.845 1.00608e-17 -3.99065 55.845000 Fe 0.25 0.958333 0.666667 15 55.845 4.10518e-18 -3.99065 55.845000 Fe 0.5 0.983333 0.666667 16 55.845 1.00608e-17 -3.99065