Number of particles = 240 A = 1 Angstrom (basic length-scale) H0(1,1) = 6.28437 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 88.9364 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 5.10865 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 63.546000 Cu 0.589781 0.0265271 0.866026 123 63.546 3.37204 -3.50361 63.546000 Cu 0.918787 0.0105628 0.874095 124 63.546 4.94602 -3.4823 63.546000 Cu 0.589781 0.0265271 0.366026 125 63.546 3.37204 -3.50361 63.546000 Cu 0.918787 0.0105628 0.374095 126 63.546 4.94602 -3.4823 63.546000 Cu 0.589147 0.0513053 0.615962 127 63.546 0.0311386 -3.52127 63.546000 Cu 0.263474 0.0151027 0.623285 129 63.546 4.77492 -3.5657 63.546000 Cu 0.926012 0.0349624 0.619599 130 63.546 0.155453 -3.48349 63.546000 Cu 0.926012 0.0349624 0.119599 131 63.546 0.155453 -3.48349 63.546000 Cu 0.256846 0.041727 0.869339 133 63.546 0.206899 -3.55023 63.546000 Cu 0.589147 0.0513053 0.115962 134 63.546 0.0311386 -3.52127 63.546000 Cu 0.263474 0.0151027 0.123285 137 63.546 4.77492 -3.5657 63.546000 Cu 0.256846 0.041727 0.369339 138 63.546 0.206899 -3.55023 63.546000 Cu 0.587448 0.0760348 0.865228 128 63.546 0.00764089 -3.53211 63.546000 Cu 0.922258 0.0595721 0.866901 132 63.546 0.0234637 -3.52334 63.546000 Cu 0.587448 0.0760348 0.365228 135 63.546 0.00764089 -3.53211 63.546000 Cu 0.922258 0.0595721 0.366901 136 63.546 0.0234637 -3.52334 63.546000 Cu 0.921133 0.0842762 0.615534 139 63.546 0.00410509 -3.53405 63.546000 Cu 0.587098 0.100812 0.614956 140 63.546 0.00172439 -3.53681 63.546000 Cu 0.587098 0.100812 0.114956 141 63.546 0.00172439 -3.53681 63.546000 Cu 0.920665 0.109065 0.865248 143 63.546 0.000724277 -3.53761 63.546000 Cu 0.25498 0.0671513 0.616733 145 63.546 0.0418371 -3.55348 63.546000 Cu 0.25498 0.0671513 0.116733 146 63.546 0.0418371 -3.55348 63.546000 Cu 0.254021 0.0922559 0.865549 147 63.546 0.0084338 -3.54681 63.546000 Cu 0.921133 0.0842762 0.115534 148 63.546 0.00410509 -3.53405 63.546000 Cu 0.920665 0.109065 0.365248 149 63.546 0.000724277 -3.53761 63.546000 Cu 0.254021 0.0922559 0.365549 150 63.546 0.0084338 -3.54681 63.546000 Cu 0.586988 0.125624 0.865201 142 63.546 0.000376639 -3.53808 63.546000 Cu 0.586988 0.125624 0.365201 144 63.546 0.000376639 -3.53808 63.546000 Cu 0.587254 0.15045 0.615623 151 63.546 5.09701e-05 -3.53914 63.546000 Cu 0.253748 0.117217 0.615391 153 63.546 0.0016915 -3.5431 63.546000 Cu 0.920472 0.133893 0.615428 154 63.546 0.000176826 -3.53902 63.546000 Cu 0.920472 0.133893 0.115428 155 63.546 0.000176826 -3.53902 63.546000 Cu 0.920811 0.158741 0.865745 156 63.546 5.50657e-05 -3.53972 63.546000 Cu 0.25379 0.142118 0.865561 157 63.546 0.000345478 -3.54132 63.546000 Cu 0.587254 0.15045 0.115623 158 63.546 5.09701e-05 -3.53914 63.546000 Cu 0.920811 0.158741 0.365745 160 63.546 5.50657e-05 -3.53972 63.546000 Cu 0.253748 0.117217 0.115391 161 63.546 0.0016915 -3.5431 63.546000 Cu 0.25379 0.142118 0.365561 162 63.546 0.000345478 -3.54132 63.546000 Cu 0.587765 0.175305 0.86596 152 63.546 6.34003e-05 -3.5397 63.546000 Cu 0.587765 0.175305 0.36596 159 63.546 6.34003e-05 -3.5397 63.546000 Cu 0.921116 0.183599 0.615833 163 63.546 5.77816e-05 -3.53972 63.546000 Cu 0.587584 0.200161 0.616194 164 63.546 3.14739e-05 -3.53965 63.546000 Cu 0.587584 0.200161 0.116194 165 63.546 3.14739e-05 -3.53965 63.546000 Cu 0.920815 0.208462 0.866081 167 63.546 4.53249e-05 -3.53983 63.546000 Cu 0.254273 0.166996 0.61564 169 63.546 9.54389e-05 -3.54089 63.546000 Cu 0.254273 0.166996 0.11564 170 63.546 9.54389e-05 -3.54089 63.546000 Cu 0.254385 0.191871 0.865749 171 63.546 6.78419e-05 -3.53996 63.546000 Cu 0.921116 0.183599 0.115833 172 63.546 5.77816e-05 -3.53972 63.546000 Cu 0.920815 0.208462 0.366081 173 63.546 4.53249e-05 -3.53983 63.546000 Cu 0.254385 0.191871 0.365749 174 63.546 6.78419e-05 -3.53996 63.546000 Cu 0.253955 0.216733 0.616234 177 63.546 3.80212e-05 -3.53984 63.546000 Cu 0.253955 0.216733 0.116234 185 63.546 3.80212e-05 -3.53984 63.546000 Cu 0.587105 0.225028 0.866603 166 63.546 1.37435e-05 -3.53978 63.546000 Cu 0.587105 0.225028 0.366603 168 63.546 1.37435e-05 -3.53978 63.546000 Cu 0.586612 0.249903 0.617409 175 63.546 1.16785e-05 -3.54027 63.546000 Cu 0.586119 0.274782 0.86852 176 63.546 4.29202e-05 -3.53977 63.546000 Cu 0.920178 0.233329 0.616809 178 63.546 2.75623e-05 -3.5398 63.546000 Cu 0.920178 0.233329 0.116809 179 63.546 2.75623e-05 -3.5398 63.546000 Cu 0.919833 0.258207 0.867798 180 63.546 3.00472e-05 -3.54023 63.546000 Cu 0.25337 0.241608 0.867137 181 63.546 1.87933e-05 -3.54014 63.546000 Cu 0.586612 0.249903 0.117409 182 63.546 1.16785e-05 -3.54027 63.546000 Cu 0.586119 0.274782 0.36852 183 63.546 4.29202e-05 -3.53977 63.546000 Cu 0.919833 0.258207 0.367798 184 63.546 3.00472e-05 -3.54023 63.546000 Cu 0.25337 0.241608 0.367137 186 63.546 1.87933e-05 -3.54014 63.546000 Cu 0.252999 0.266482 0.618394 193 63.546 4.67844e-05 -3.53981 63.546000 Cu 0.252999 0.266482 0.118394 194 63.546 4.67844e-05 -3.53981 63.546000 Cu 0.919209 0.283084 0.619014 187 63.546 7.00878e-05 -3.54051 63.546000 Cu 0.585124 0.299638 0.619729 188 63.546 3.58454e-05 -3.53939 63.546000 Cu 0.585124 0.299638 0.119729 189 63.546 3.58454e-05 -3.53939 63.546000 Cu 0.583827 0.324487 0.870983 190 63.546 0.000245313 -3.53914 63.546000 Cu 0.918085 0.307968 0.870112 191 63.546 0.000303975 -3.54136 63.546000 Cu 0.583827 0.324487 0.370983 192 63.546 0.000245313 -3.53914 63.546000 Cu 0.252198 0.291346 0.869592 195 63.546 8.99745e-05 -3.53916 63.546000 Cu 0.919209 0.283084 0.119014 196 63.546 7.00878e-05 -3.54051 63.546000 Cu 0.918085 0.307968 0.370112 197 63.546 0.000303975 -3.54136 63.546000 Cu 0.252198 0.291346 0.369592 198 63.546 8.99745e-05 -3.53916 63.546000 Cu 0.250893 0.316192 0.620484 201 63.546 0.000253232 -3.53874 63.546000 Cu 0.250893 0.316192 0.120484 209 63.546 0.000253232 -3.53874 63.546000 Cu 0.916294 0.332863 0.621068 202 63.546 0.00128071 -3.54251 63.546000 Cu 0.916294 0.332863 0.121068 203 63.546 0.00128071 -3.54251 63.546000 Cu 0.581506 0.349325 0.621895 199 63.546 0.000528429 -3.5385 63.546000 Cu 0.578739 0.374164 0.872347 200 63.546 0.00141565 -3.53768 63.546000 Cu 0.913541 0.357806 0.872113 204 63.546 0.00580156 -3.54496 63.546000 Cu 0.248828 0.341011 0.871426 205 63.546 0.0011302 -3.53674 63.546000 Cu 0.581506 0.349325 0.121895 206 63.546 0.000528429 -3.5385 63.546000 Cu 0.578739 0.374164 0.372347 207 63.546 0.00141565 -3.53768 63.546000 Cu 0.913541 0.357806 0.372113 208 63.546 0.00580156 -3.54496 63.546000 Cu 0.248828 0.341011 0.371426 210 63.546 0.0011302 -3.53674 63.546000 Cu 0.910529 0.382834 0.622565 211 63.546 0.0244101 -3.55009 63.546000 Cu 0.245942 0.365776 0.622305 217 63.546 0.00581643 -3.53287 63.546000 Cu 0.245942 0.365776 0.122305 218 63.546 0.00581643 -3.53287 63.546000 Cu 0.910529 0.382834 0.122565 220 63.546 0.0244101 -3.55009 63.546000 Cu 0.575843 0.399003 0.62222 212 63.546 0.00584445 -3.53495 63.546000 Cu 0.575843 0.399003 0.12222 213 63.546 0.00584445 -3.53495 63.546000 Cu 0.571501 0.423895 0.871935 214 63.546 0.0275301 -3.5296 63.546000 Cu 0.906363 0.408097 0.872304 215 63.546 0.107403 -3.55853 63.546000 Cu 0.571501 0.423895 0.371935 216 63.546 0.0275301 -3.5296 63.546000 Cu 0.243059 0.390465 0.872589 219 63.546 0.0274121 -3.52532 63.546000 Cu 0.906363 0.408097 0.372304 221 63.546 0.107403 -3.55853 63.546000 Cu 0.243059 0.390465 0.372589 222 63.546 0.0274121 -3.52532 63.546000 Cu 0.239208 0.415024 0.622397 225 63.546 0.126427 -3.51054 63.546000 Cu 0.897933 0.433895 0.621937 226 63.546 0.488455 -3.56657 63.546000 Cu 0.897933 0.433895 0.121937 227 63.546 0.488455 -3.56657 63.546000 Cu 0.232881 0.439327 0.872288 229 63.546 0.592569 -3.4791 63.546000 Cu 0.239208 0.415024 0.122397 233 63.546 0.126427 -3.51054 63.546000 Cu 0.232881 0.439327 0.372288 234 63.546 0.592569 -3.4791 63.546000 Cu 0.159085 0.486717 0.373774 4 63.546 5.72681 -3.42476 63.546000 Cu 0.817863 0.487879 0.122853 5 63.546 6.00848 -3.54535 63.546000 Cu 0.561361 0.448932 0.62199 223 63.546 0.157735 -3.52067 63.546000 Cu 0.525423 0.47409 0.872621 224 63.546 0.249303 -3.49917 63.546000 Cu 0.87449 0.46075 0.872031 228 63.546 4.75025 -3.57281 63.546000 Cu 0.561361 0.448932 0.12199 230 63.546 0.157735 -3.52067 63.546000 Cu 0.525423 0.47409 0.372621 231 63.546 0.249303 -3.49917 63.546000 Cu 0.87449 0.46075 0.372031 232 63.546 4.75025 -3.57281 63.546000 Cu 0.817863 0.487879 0.622853 235 63.546 6.00848 -3.54535 63.546000 Cu 0.214268 0.463224 0.622735 238 63.546 5.12475 -3.43214 63.546000 Cu 0.214268 0.463224 0.122735 239 63.546 5.12475 -3.43214 63.546000 Cu 0.159085 0.486717 0.873774 240 63.546 5.72681 -3.42476 63.546000 Cu 0.459649 0.499096 0.623749 236 63.546 3.54978 -3.49947 63.546000 Cu 0.459649 0.499096 0.123749 237 63.546 3.54978 -3.49947 63.546000 Cu 0.0863879 0.510611 0.625728 1 63.546 4.90418 -3.48267 63.546000 Cu 0.0863879 0.510611 0.125728 2 63.546 4.90418 -3.48267 63.546000 Cu 0.741354 0.515218 0.376656 3 63.546 4.73292 -3.56591 63.546000 Cu 0.414554 0.526619 0.628988 6 63.546 3.53127 -3.5031 63.546000 Cu 0.0775187 0.535003 0.376862 7 63.546 0.140029 -3.48495 63.546000 Cu 0.0775187 0.535003 0.876862 8 63.546 0.140029 -3.48495 63.546000 Cu 0.746438 0.541858 0.626683 9 63.546 0.193173 -3.54982 63.546000 Cu 0.741354 0.515218 0.876656 11 63.546 4.73292 -3.56591 63.546000 Cu 0.414554 0.526619 0.128988 12 63.546 3.53127 -3.5031 63.546000 Cu 0.746438 0.541858 0.126683 13 63.546 0.193173 -3.54982 63.546000 Cu 0.413215 0.551417 0.378054 15 63.546 0.0298504 -3.52232 63.546000 Cu 0.413215 0.551417 0.878054 21 63.546 0.0298504 -3.52232 63.546000 Cu 0.079322 0.559672 0.627416 10 63.546 0.0199953 -3.5249 63.546000 Cu 0.079322 0.559672 0.127416 14 63.546 0.0199953 -3.5249 63.546000 Cu 0.0789352 0.584409 0.377833 16 63.546 0.00325537 -3.53403 63.546000 Cu 0.746203 0.567316 0.377135 17 63.546 0.0366769 -3.55307 63.546000 Cu 0.746203 0.567316 0.877135 18 63.546 0.0366769 -3.55307 63.546000 Cu 0.412986 0.576175 0.627811 19 63.546 0.00684105 -3.53196 63.546000 Cu 0.745758 0.592426 0.627551 20 63.546 0.00702156 -3.54598 63.546000 Cu 0.412986 0.576175 0.127811 22 63.546 0.00684105 -3.53196 63.546000 Cu 0.0781455 0.609224 0.628304 23 63.546 0.000646406 -3.53791 63.546000 Cu 0.0789352 0.584409 0.877833 24 63.546 0.00325537 -3.53403 63.546000 Cu 0.745758 0.592426 0.127551 25 63.546 0.00702156 -3.54598 63.546000 Cu 0.0781455 0.609224 0.128304 26 63.546 0.000646406 -3.53791 63.546000 Cu 0.412197 0.600961 0.377827 28 63.546 0.00143221 -3.53662 63.546000 Cu 0.412197 0.600961 0.877827 29 63.546 0.00143221 -3.53662 63.546000 Cu 0.744515 0.617398 0.37811 27 63.546 0.00130352 -3.54308 63.546000 Cu 0.4106 0.625795 0.628225 30 63.546 0.000273746 -3.53862 63.546000 Cu 0.0766443 0.634072 0.378763 31 63.546 0.000168222 -3.53923 63.546000 Cu 0.0766443 0.634072 0.878763 32 63.546 0.000168222 -3.53923 63.546000 Cu 0.742949 0.642315 0.62859 33 63.546 0.000268535 -3.5411 63.546000 Cu 0.0755416 0.658944 0.629173 34 63.546 0.000101754 -3.53992 63.546000 Cu 0.744515 0.617398 0.87811 35 63.546 0.00130352 -3.54308 63.546000 Cu 0.4106 0.625795 0.128225 36 63.546 0.000273746 -3.53862 63.546000 Cu 0.742949 0.642315 0.12859 37 63.546 0.000268535 -3.5411 63.546000 Cu 0.0755416 0.658944 0.129173 38 63.546 0.000101754 -3.53992 63.546000 Cu 0.40926 0.650649 0.378701 39 63.546 6.78119e-05 -3.53918 63.546000 Cu 0.40926 0.650649 0.878701 45 63.546 6.78119e-05 -3.53918 63.546000 Cu 0.741953 0.667204 0.379106 41 63.546 0.000128329 -3.54045 63.546000 Cu 0.741953 0.667204 0.879106 42 63.546 0.000128329 -3.54045 63.546000 Cu 0.0750168 0.683816 0.379399 40 63.546 0.00014531 -3.54015 63.546000 Cu 0.408473 0.675516 0.62924 43 63.546 6.89699e-05 -3.53975 63.546000 Cu 0.741708 0.692086 0.629378 44 63.546 0.000199275 -3.54032 63.546000 Cu 0.408473 0.675516 0.12924 46 63.546 6.89699e-05 -3.53975 63.546000 Cu 0.0756179 0.708683 0.629637 47 63.546 0.000213379 -3.53975 63.546000 Cu 0.0750168 0.683816 0.879399 48 63.546 0.00014531 -3.54015 63.546000 Cu 0.741708 0.692086 0.129378 49 63.546 0.000199275 -3.54032 63.546000 Cu 0.0756179 0.708683 0.129637 50 63.546 0.000213379 -3.53975 63.546000 Cu 0.742819 0.716949 0.379992 51 63.546 0.000109464 -3.53982 63.546000 Cu 0.408572 0.700382 0.379649 52 63.546 0.000189412 -3.53962 63.546000 Cu 0.408572 0.700382 0.879649 53 63.546 0.000189412 -3.53962 63.546000 Cu 0.742819 0.716949 0.879992 59 63.546 0.000109464 -3.53982 63.546000 Cu 0.410084 0.725233 0.630248 54 63.546 8.00054e-05 -3.53949 63.546000 Cu 0.077487 0.733538 0.380568 55 63.546 7.04104e-05 -3.53967 63.546000 Cu 0.077487 0.733538 0.880568 56 63.546 7.04104e-05 -3.53967 63.546000 Cu 0.744954 0.741802 0.630948 57 63.546 1.53703e-05 -3.5398 63.546000 Cu 0.0798882 0.758389 0.631512 58 63.546 5.41979e-05 -3.54 63.546000 Cu 0.410084 0.725233 0.130248 60 63.546 8.00054e-05 -3.53949 63.546000 Cu 0.744954 0.741802 0.130948 61 63.546 1.53703e-05 -3.5398 63.546000 Cu 0.0798882 0.758389 0.131512 62 63.546 5.41979e-05 -3.54 63.546000 Cu 0.4124 0.75008 0.381315 63 63.546 3.27911e-05 -3.5398 63.546000 Cu 0.747409 0.766654 0.381744 65 63.546 2.00009e-05 -3.53982 63.546000 Cu 0.747409 0.766654 0.881744 66 63.546 2.00009e-05 -3.53982 63.546000 Cu 0.414936 0.77493 0.632281 67 63.546 6.22527e-05 -3.53977 63.546000 Cu 0.4124 0.75008 0.881315 69 63.546 3.27911e-05 -3.5398 63.546000 Cu 0.414936 0.77493 0.132281 70 63.546 6.22527e-05 -3.53977 63.546000 Cu 0.0825532 0.783242 0.382468 64 63.546 0.00011024 -3.54053 63.546000 Cu 0.750155 0.791495 0.63255 68 63.546 8.79094e-05 -3.53939 63.546000 Cu 0.0856766 0.808101 0.633153 71 63.546 0.000447207 -3.54084 63.546000 Cu 0.0825532 0.783242 0.882468 72 63.546 0.00011024 -3.54053 63.546000 Cu 0.750155 0.791495 0.13255 73 63.546 8.79094e-05 -3.53939 63.546000 Cu 0.0856766 0.808101 0.133153 74 63.546 0.000447207 -3.54084 63.546000 Cu 0.753563 0.816314 0.382801 75 63.546 0.000188939 -3.53832 63.546000 Cu 0.417832 0.79977 0.382776 76 63.546 0.000116885 -3.53941 63.546000 Cu 0.417832 0.79977 0.882776 77 63.546 0.000116885 -3.53941 63.546000 Cu 0.421352 0.824596 0.632689 78 63.546 0.000154178 -3.53912 63.546000 Cu 0.0893204 0.832968 0.382901 79 63.546 0.0012078 -3.54223 63.546000 Cu 0.0893204 0.832968 0.882901 80 63.546 0.0012078 -3.54223 63.546000 Cu 0.753563 0.816314 0.882801 83 63.546 0.000188939 -3.53832 63.546000 Cu 0.421352 0.824596 0.132689 84 63.546 0.000154178 -3.53912 63.546000 Cu 0.757138 0.841114 0.63276 81 63.546 0.000927844 -3.53686 63.546000 Cu 0.0927015 0.857876 0.632735 82 63.546 0.00518304 -3.54537 63.546000 Cu 0.757138 0.841114 0.13276 85 63.546 0.000927844 -3.53686 63.546000 Cu 0.0927015 0.857876 0.132735 86 63.546 0.00518304 -3.54537 63.546000 Cu 0.424672 0.849415 0.382662 87 63.546 0.00044826 -3.53871 63.546000 Cu 0.0960282 0.882893 0.382771 88 63.546 0.0242082 -3.55033 63.546000 Cu 0.760347 0.865857 0.382938 89 63.546 0.00532819 -3.53264 63.546000 Cu 0.760347 0.865857 0.882938 90 63.546 0.00532819 -3.53264 63.546000 Cu 0.427696 0.87423 0.632862 91 63.546 0.001489 -3.53759 63.546000 Cu 0.424672 0.849415 0.882662 93 63.546 0.00044826 -3.53871 63.546000 Cu 0.427696 0.87423 0.132862 94 63.546 0.001489 -3.53759 63.546000 Cu 0.0960282 0.882893 0.882771 96 63.546 0.0242082 -3.55033 63.546000 Cu 0.763614 0.890516 0.632943 92 63.546 0.027306 -3.52522 63.546000 Cu 0.100358 0.908131 0.632853 95 63.546 0.107272 -3.5585 63.546000 Cu 0.763614 0.890516 0.132943 97 63.546 0.027306 -3.52522 63.546000 Cu 0.100358 0.908131 0.132853 98 63.546 0.107272 -3.5585 63.546000 Cu 0.767547 0.915047 0.382791 99 63.546 0.125122 -3.51083 63.546000 Cu 0.43069 0.899047 0.382875 100 63.546 0.00604284 -3.53523 63.546000 Cu 0.43069 0.899047 0.882875 101 63.546 0.00604284 -3.53523 63.546000 Cu 0.435487 0.923905 0.63272 102 63.546 0.0266443 -3.52955 63.546000 Cu 0.109227 0.933867 0.38259 103 63.546 0.472719 -3.56721 63.546000 Cu 0.109227 0.933867 0.88259 104 63.546 0.472719 -3.56721 63.546000 Cu 0.774477 0.939335 0.632171 105 63.546 0.568247 -3.47934 63.546000 Cu 0.767547 0.915047 0.882791 107 63.546 0.125122 -3.51083 63.546000 Cu 0.435487 0.923905 0.13272 108 63.546 0.0266443 -3.52955 63.546000 Cu 0.774477 0.939335 0.132171 109 63.546 0.568247 -3.47934 63.546000 Cu 0.545935 0.999019 0.879003 121 63.546 3.38554 -3.49959 63.546000 Cu 0.545935 0.999019 0.379003 122 63.546 3.38554 -3.49959 63.546000 Cu 0.132697 0.960618 0.632165 106 63.546 4.71436 -3.5733 63.546000 Cu 0.132697 0.960618 0.132165 110 63.546 4.71436 -3.5733 63.546000 Cu 0.446306 0.948899 0.382277 111 63.546 0.145578 -3.52045 63.546000 Cu 0.188265 0.987732 0.381287 112 63.546 5.87064 -3.54619 63.546000 Cu 0.793238 0.963202 0.381289 113 63.546 5.09683 -3.43268 63.546000 Cu 0.793238 0.963202 0.881289 114 63.546 5.09683 -3.43268 63.546000 Cu 0.481525 0.974013 0.631255 115 63.546 0.243393 -3.49995 63.546000 Cu 0.847269 0.986706 0.629138 116 63.546 5.64209 -3.4229 63.546000 Cu 0.446306 0.948899 0.882277 117 63.546 0.145578 -3.52045 63.546000 Cu 0.481525 0.974013 0.131255 118 63.546 0.243393 -3.49995 63.546000 Cu 0.188265 0.987732 0.881287 119 63.546 5.87064 -3.54619 63.546000 Cu 0.847269 0.986706 0.129138 120 63.546 5.64209 -3.4229