Number of particles = 412 A = 1 Angstrom (basic length-scale) H0(1,1) = 19.7586 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 79.2207 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.87933 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 106.420000 Pd 0.0826025 0.046858 1 225 106.42 0.277158 -3.85998 106.420000 Pd 0.0600564 0.0219425 0.5 226 106.42 6.69245 -3.6502 106.420000 Pd 0.154718 0.0151384 1.36429e-15 228 106.42 3.04554 -3.79197 106.420000 Pd 0.171851 0.0417722 0.5 231 106.42 0.212133 -3.8559 106.420000 Pd 0.264919 0.0393022 1.59282e-15 229 106.42 0.507759 -3.8684 106.420000 Pd 0.253101 0.0144985 0.5 230 106.42 1.45359 -3.88455 106.420000 Pd 0.350407 0.0142999 1 232 106.42 7.61377 -3.66129 106.420000 Pd 0.367914 0.0359037 0.5 235 106.42 4.37164 -3.81305 106.420000 Pd 0.560056 0.0219425 0.5 211 106.42 6.69245 -3.6502 106.420000 Pd 0.582602 0.046858 5.03067e-19 216 106.42 0.277158 -3.85998 106.420000 Pd 0.467404 0.0307044 4.71164e-16 233 106.42 9.14209 -3.71611 106.420000 Pd 0.654718 0.0151384 5.12095e-16 210 106.42 3.04554 -3.79197 106.420000 Pd 0.753101 0.0144985 0.5 213 106.42 1.45359 -3.88455 106.420000 Pd 0.671851 0.0417722 0.5 218 106.42 0.212133 -3.8559 106.420000 Pd 0.764919 0.0393022 1 220 106.42 0.507759 -3.8684 106.420000 Pd 0.850407 0.0142999 1 212 106.42 7.61377 -3.66129 106.420000 Pd 0.867914 0.0359037 0.5 222 106.42 4.37164 -3.81305 106.420000 Pd 0.967404 0.0307044 4.52523e-16 224 106.42 9.14209 -3.71611 106.420000 Pd 0.116364 0.0964397 7.96314e-16 246 106.42 0.00680368 -3.89773 106.420000 Pd 0.0990643 0.0719734 0.5 247 106.42 0.0458468 -3.89125 106.420000 Pd 0.19217 0.0676524 1 249 106.42 0.0735352 -3.88199 106.420000 Pd 0.00312054 0.0768101 1 245 106.42 0.0340927 -3.90027 106.420000 Pd 0.212112 0.0918559 0.5 252 106.42 0.0139995 -3.89637 106.420000 Pd 0.308202 0.0869478 3.26029e-16 250 106.42 0.00554354 -3.8992 106.420000 Pd 0.286927 0.0630884 0.5 251 106.42 0.0869303 -3.8947 106.420000 Pd 0.3855 0.0585752 1 253 106.42 0.0417832 -3.89188 106.420000 Pd 0.40542 0.0818837 0.5 256 106.42 0.0150177 -3.90142 106.420000 Pd 0.599064 0.0719734 0.5 219 106.42 0.0458468 -3.89125 106.420000 Pd 0.503121 0.0768101 7.95894e-16 254 106.42 0.0340927 -3.90027 106.420000 Pd 0.486389 0.0532537 0.5 255 106.42 0.139079 -3.8723 106.420000 Pd 0.616364 0.0964397 1 237 106.42 0.00680368 -3.89773 106.420000 Pd 0.69217 0.0676524 1.67368e-15 217 106.42 0.0735352 -3.88199 106.420000 Pd 0.786927 0.0630884 0.5 223 106.42 0.0869303 -3.8947 106.420000 Pd 0.712112 0.0918559 0.5 239 106.42 0.0139995 -3.89637 106.420000 Pd 0.808202 0.0869478 1 241 106.42 0.00554354 -3.8992 106.420000 Pd 0.8855 0.0585752 1 221 106.42 0.0417832 -3.89188 106.420000 Pd 0.986389 0.0532537 0.5 227 106.42 0.139079 -3.8723 106.420000 Pd 0.90542 0.0818837 0.5 243 106.42 0.0150177 -3.90142 106.420000 Pd 0.0390348 0.125155 1.61876e-16 267 106.42 0.000848269 -3.89988 106.420000 Pd 0.154218 0.144469 1.22909e-15 268 106.42 0.000404486 -3.90013 106.420000 Pd 0.135116 0.120508 0.5 269 106.42 0.00231413 -3.89948 106.420000 Pd 0.0579892 0.149247 0.5 270 106.42 0.000561823 -3.89984 106.420000 Pd 0.0206514 0.100945 0.5 248 106.42 0.00418821 -3.90106 106.420000 Pd 0.231546 0.115738 1 271 106.42 0.0013697 -3.89954 106.420000 Pd 0.347107 0.134729 1 272 106.42 0.000905886 -3.90045 106.420000 Pd 0.328097 0.110779 0.5 273 106.42 0.00134009 -3.90009 106.420000 Pd 0.250683 0.139625 0.5 274 106.42 0.000190873 -3.90039 106.420000 Pd 0.424491 0.10576 1.43661e-15 275 106.42 0.00525979 -3.90133 106.420000 Pd 0.539035 0.125155 5.85514e-18 236 106.42 0.000848269 -3.89988 106.420000 Pd 0.557989 0.149247 0.5 258 106.42 0.000561823 -3.89984 106.420000 Pd 0.520651 0.100945 0.5 276 106.42 0.00418821 -3.90106 106.420000 Pd 0.443207 0.129866 0.5 277 106.42 0.000946472 -3.90028 106.420000 Pd 0.731546 0.115738 1 238 106.42 0.0013697 -3.89954 106.420000 Pd 0.635116 0.120508 0.5 240 106.42 0.00231413 -3.89948 106.420000 Pd 0.654218 0.144469 2.94783e-16 259 106.42 0.000404486 -3.90013 106.420000 Pd 0.750683 0.139625 0.5 261 106.42 0.000190873 -3.90039 106.420000 Pd 0.828097 0.110779 0.5 244 106.42 0.00134009 -3.90009 106.420000 Pd 0.924491 0.10576 1 242 106.42 0.00525979 -3.90133 106.420000 Pd 0.847107 0.134729 1 263 106.42 0.000905886 -3.90045 106.420000 Pd 0.943207 0.129866 0.5 265 106.42 0.000946472 -3.90028 106.420000 Pd 0.0771313 0.173261 3.70565e-16 288 106.42 0.000105875 -3.90009 106.420000 Pd 0.192497 0.192441 2.37979e-17 289 106.42 2.71039e-05 -3.90035 106.420000 Pd 0.173379 0.168437 0.5 290 106.42 4.79671e-05 -3.90034 106.420000 Pd 0.0963092 0.197258 0.5 291 106.42 9.514e-06 -3.90025 106.420000 Pd 0.269689 0.163595 8.18169e-16 292 106.42 0.000188587 -3.90053 106.420000 Pd 0.384836 0.182828 1 293 106.42 4.71726e-05 -3.90027 106.420000 Pd 0.365926 0.158764 0.5 294 106.42 0.000237497 -3.9004 106.420000 Pd 0.288699 0.187625 0.5 295 106.42 4.33851e-05 -3.90043 106.420000 Pd 0.577131 0.173261 6.09131e-16 257 106.42 0.000105875 -3.90009 106.420000 Pd 0.596309 0.197258 0.5 279 106.42 9.514e-06 -3.90025 106.420000 Pd 0.461989 0.153986 1 296 106.42 0.000120536 -3.89999 106.420000 Pd 0.480954 0.17805 0.5 297 106.42 0.000126948 -3.90008 106.420000 Pd 0.769689 0.163595 1 260 106.42 0.000188587 -3.90053 106.420000 Pd 0.673379 0.168437 0.5 262 106.42 4.79671e-05 -3.90034 106.420000 Pd 0.692497 0.192441 5.42195e-16 280 106.42 2.71039e-05 -3.90035 106.420000 Pd 0.788699 0.187625 0.5 282 106.42 4.33851e-05 -3.90043 106.420000 Pd 0.961989 0.153986 1 264 106.42 0.000120536 -3.89999 106.420000 Pd 0.865926 0.158764 0.5 266 106.42 0.000237497 -3.9004 106.420000 Pd 0.884836 0.182828 1.13185e-15 284 106.42 4.71726e-05 -3.90027 106.420000 Pd 0.980954 0.17805 0.5 286 106.42 0.000126948 -3.90008 106.420000 Pd 0.115413 0.221269 1.23191e-15 310 106.42 8.76749e-06 -3.9003 106.420000 Pd 0.134498 0.245293 0.5 313 106.42 2.85508e-06 -3.90027 106.420000 Pd 8.41759e-05 0.202075 1 285 106.42 3.3668e-05 -3.90018 106.420000 Pd 0.0192188 0.226083 0.5 308 106.42 2.38164e-06 -3.90024 106.420000 Pd 0.211602 0.216461 0.5 312 106.42 9.1075e-06 -3.90027 106.420000 Pd 0.230691 0.240488 2.39055e-16 311 106.42 5.49177e-06 -3.90026 106.420000 Pd 0.307762 0.211664 1.54791e-16 314 106.42 3.17639e-06 -3.90026 106.420000 Pd 0.326832 0.235691 0.5 317 106.42 7.02302e-06 -3.90021 106.420000 Pd 0.423019 0.23089 2.24102e-16 315 106.42 4.0113e-06 -3.90022 106.420000 Pd 0.403933 0.206869 0.5 316 106.42 1.42934e-05 -3.90018 106.420000 Pd 0.500084 0.202075 1 318 106.42 3.3668e-05 -3.90018 106.420000 Pd 0.519219 0.226083 0.5 319 106.42 2.38164e-06 -3.90024 106.420000 Pd 0.615413 0.221269 1 278 106.42 8.76749e-06 -3.9003 106.420000 Pd 0.711602 0.216461 0.5 283 106.42 9.1075e-06 -3.90027 106.420000 Pd 0.634498 0.245293 0.5 300 106.42 2.85508e-06 -3.90027 106.420000 Pd 0.730691 0.240488 1.04455e-15 302 106.42 5.49177e-06 -3.90026 106.420000 Pd 0.807762 0.211664 1 281 106.42 3.17639e-06 -3.90026 106.420000 Pd 0.826832 0.235691 0.5 304 106.42 7.02302e-06 -3.90021 106.420000 Pd 0.903933 0.206869 0.5 287 106.42 1.42934e-05 -3.90018 106.420000 Pd 0.923019 0.23089 1 306 106.42 4.0113e-06 -3.90022 106.420000 Pd 0.0383229 0.2501 1 307 106.42 2.46655e-06 -3.90025 106.420000 Pd 0.0764886 0.29815 2.68205e-16 329 106.42 3.64148e-06 -3.90025 106.420000 Pd 0.0574252 0.274119 0.5 330 106.42 8.28511e-06 -3.90023 106.420000 Pd 0.153568 0.269317 3.82639e-16 332 106.42 4.60447e-06 -3.90022 106.420000 Pd 0.172668 0.293351 0.5 335 106.42 2.74263e-06 -3.90024 106.420000 Pd 0.268842 0.288544 1 333 106.42 4.78056e-06 -3.90028 106.420000 Pd 0.249745 0.264519 0.5 334 106.42 6.53472e-06 -3.90027 106.420000 Pd 0.34595 0.259713 6.33935e-16 336 106.42 3.27289e-06 -3.90024 106.420000 Pd 0.365066 0.28373 0.5 339 106.42 1.16706e-05 -3.90026 106.420000 Pd 0.538323 0.2501 1.28566e-15 298 106.42 2.46655e-06 -3.90025 106.420000 Pd 0.557425 0.274119 0.5 301 106.42 8.28511e-06 -3.90023 106.420000 Pd 0.576489 0.29815 1 320 106.42 3.64148e-06 -3.90025 106.420000 Pd 0.461249 0.278926 7.5481e-16 337 106.42 5.831e-06 -3.90023 106.420000 Pd 0.442128 0.254908 0.5 338 106.42 1.05484e-06 -3.90025 106.420000 Pd 0.653568 0.269317 6.69806e-16 299 106.42 4.60447e-06 -3.90022 106.420000 Pd 0.749745 0.264519 0.5 305 106.42 6.53472e-06 -3.90027 106.420000 Pd 0.672668 0.293351 0.5 322 106.42 2.74263e-06 -3.90024 106.420000 Pd 0.768842 0.288544 1 324 106.42 4.78056e-06 -3.90028 106.420000 Pd 0.84595 0.259713 1 303 106.42 3.27289e-06 -3.90024 106.420000 Pd 0.942128 0.254908 0.5 309 106.42 1.05484e-06 -3.90025 106.420000 Pd 0.865066 0.28373 0.5 326 106.42 1.16706e-05 -3.90026 106.420000 Pd 0.961249 0.278926 1.65453e-16 328 106.42 5.831e-06 -3.90023 106.420000 Pd 0.114727 0.346227 1 350 106.42 1.77414e-05 -3.90022 106.420000 Pd 0.0955885 0.322188 0.5 351 106.42 7.22507e-06 -3.90022 106.420000 Pd 0.191765 0.317384 2.04944e-16 353 106.42 4.27427e-06 -3.90028 106.420000 Pd 0.210846 0.34142 0.5 356 106.42 3.56592e-05 -3.90037 106.420000 Pd 0.30704 0.336599 1 354 106.42 2.90297e-05 -3.90034 106.420000 Pd 0.28796 0.312572 0.5 355 106.42 2.19088e-06 -3.90031 106.420000 Pd 0.384132 0.307759 1 357 106.42 4.47206e-06 -3.90031 106.420000 Pd 0.403256 0.331786 0.5 360 106.42 1.28931e-05 -3.90024 106.420000 Pd 0.595589 0.322188 0.5 323 106.42 7.22507e-06 -3.90022 106.420000 Pd 0.499447 0.326985 1 358 106.42 8.47092e-06 -3.90021 106.420000 Pd 0.480316 0.302949 0.5 359 106.42 1.02876e-05 -3.90027 106.420000 Pd 0.614727 0.346227 7.45532e-16 341 106.42 1.77414e-05 -3.90022 106.420000 Pd 0.691765 0.317384 1 321 106.42 4.27427e-06 -3.90028 106.420000 Pd 0.78796 0.312572 0.5 327 106.42 2.19088e-06 -3.90031 106.420000 Pd 0.710846 0.34142 0.5 343 106.42 3.56592e-05 -3.90037 106.420000 Pd 0.80704 0.336599 1 345 106.42 2.90297e-05 -3.90034 106.420000 Pd 0.884132 0.307759 1 325 106.42 4.47206e-06 -3.90031 106.420000 Pd 0.980316 0.302949 0.5 331 106.42 1.02876e-05 -3.90027 106.420000 Pd 0.903256 0.331786 0.5 347 106.42 1.28931e-05 -3.90024 106.420000 Pd 0.999447 0.326985 5.81043e-16 349 106.42 8.47092e-06 -3.90021 106.420000 Pd 0.0377182 0.375066 8.66114e-16 371 106.42 0.000111389 -3.90002 106.420000 Pd 0.152853 0.394302 1.25209e-15 372 106.42 0.00071613 -3.90044 106.420000 Pd 0.133763 0.37027 0.5 373 106.42 0.00018601 -3.90038 106.420000 Pd 0.0568161 0.399179 0.5 374 106.42 0.000704307 -3.90039 106.420000 Pd 0.0186002 0.351014 0.5 352 106.42 3.27866e-05 -3.90006 106.420000 Pd 0.230006 0.365443 7.63796e-16 375 106.42 0.000104916 -3.90052 106.420000 Pd 0.345607 0.384597 1.69897e-16 376 106.42 0.000325234 -3.90017 106.420000 Pd 0.326256 0.360609 0.5 377 106.42 4.17776e-05 -3.90031 106.420000 Pd 0.249219 0.389416 0.5 378 106.42 0.000159803 -3.90047 106.420000 Pd 0.422444 0.355799 1 379 106.42 7.05107e-05 -3.90008 106.420000 Pd 0.537718 0.375066 1 340 106.42 0.000111389 -3.90002 106.420000 Pd 0.556816 0.399179 0.5 362 106.42 0.000704307 -3.90039 106.420000 Pd 0.5186 0.351014 0.5 380 106.42 3.27866e-05 -3.90006 106.420000 Pd 0.441737 0.379833 0.5 381 106.42 0.0002493 -3.89987 106.420000 Pd 0.730006 0.365443 1.78798e-16 342 106.42 0.000104916 -3.90052 106.420000 Pd 0.633763 0.37027 0.5 344 106.42 0.00018601 -3.90038 106.420000 Pd 0.652853 0.394302 1 363 106.42 0.00071613 -3.90044 106.420000 Pd 0.749219 0.389416 0.5 365 106.42 0.000159803 -3.90047 106.420000 Pd 0.826256 0.360609 0.5 348 106.42 4.17776e-05 -3.90031 106.420000 Pd 0.922444 0.355799 7.29448e-17 346 106.42 7.05107e-05 -3.90008 106.420000 Pd 0.845607 0.384597 6.12121e-16 367 106.42 0.000325234 -3.90017 106.420000 Pd 0.941737 0.379833 0.5 369 106.42 0.0002493 -3.89987 106.420000 Pd 0.0759977 0.423288 1.09367e-15 392 106.42 0.00434081 -3.90156 106.420000 Pd 0.192546 0.44221 5.81993e-16 393 106.42 0.0064725 -3.89905 106.420000 Pd 0.17224 0.418279 0.5 394 106.42 0.00105767 -3.89992 106.420000 Pd 0.0957717 0.447167 0.5 395 106.42 0.0159112 -3.90192 106.420000 Pd 0.268565 0.413335 7.34283e-16 396 106.42 0.00152248 -3.89967 106.420000 Pd 0.383972 0.432638 3.71641e-16 397 106.42 0.00579743 -3.89882 106.420000 Pd 0.364951 0.408578 0.5 398 106.42 0.00156069 -3.89966 106.420000 Pd 0.288204 0.437257 0.5 399 106.42 0.0143424 -3.89592 106.420000 Pd 0.575998 0.423288 1.16709e-15 361 106.42 0.00434081 -3.90156 106.420000 Pd 0.595772 0.447167 0.5 383 106.42 0.0159112 -3.90192 106.420000 Pd 0.461011 0.403921 6.82481e-16 400 106.42 0.000698313 -3.90008 106.420000 Pd 0.479798 0.42811 0.5 401 106.42 0.00448697 -3.90192 106.420000 Pd 0.768565 0.413335 1.00545e-15 364 106.42 0.00152248 -3.89967 106.420000 Pd 0.67224 0.418279 0.5 366 106.42 0.00105767 -3.89992 106.420000 Pd 0.692546 0.44221 1.99145e-16 384 106.42 0.0064725 -3.89905 106.420000 Pd 0.788204 0.437257 0.5 386 106.42 0.0143424 -3.89592 106.420000 Pd 0.961011 0.403921 2.51254e-17 368 106.42 0.000698313 -3.90008 106.420000 Pd 0.864951 0.408578 0.5 370 106.42 0.00156069 -3.89966 106.420000 Pd 0.883972 0.432638 1.13359e-15 388 106.42 0.00579743 -3.89882 106.420000 Pd 0.979798 0.42811 0.5 390 106.42 0.00448697 -3.90192 106.420000 Pd 0.115594 0.470539 1.47995e-15 409 106.42 0.0535915 -3.89011 106.420000 Pd 0.132481 0.493078 0.5 412 106.42 4.49641 -3.79503 106.420000 Pd 0.0153288 0.475452 0.5 408 106.42 5.79958 -3.81254 106.420000 Pd 0.0320732 0.498231 9.12271e-16 407 106.42 12.7973 -3.63961 106.420000 Pd 0.214603 0.466207 0.5 411 106.42 0.123255 -3.89183 106.420000 Pd 0.331391 0.487876 0.5 7 106.42 1.47505 -3.78775 106.420000 Pd 0.308679 0.461484 1 208 106.42 0.0918849 -3.87162 106.420000 Pd 0.237685 0.489918 1 410 106.42 0.749546 -3.85992 106.420000 Pd 0.401541 0.457056 0.5 9 106.42 0.072734 -3.88699 106.420000 Pd 0.41863 0.481522 7.99695e-16 204 106.42 7.59873 -3.72458 106.420000 Pd 0.515329 0.475452 0.5 1 106.42 5.79958 -3.81254 106.420000 Pd 0.497852 0.45213 1 3 106.42 0.0239499 -3.9004 106.420000 Pd 0.532073 0.498231 6.83179e-16 402 106.42 12.7973 -3.63961 106.420000 Pd 0.615594 0.470539 1.3124e-15 382 106.42 0.0535915 -3.89011 106.420000 Pd 0.714603 0.466207 0.5 387 106.42 0.123255 -3.89183 106.420000 Pd 0.632481 0.493078 0.5 403 106.42 4.49641 -3.79503 106.420000 Pd 0.737685 0.489918 6.50019e-16 404 106.42 0.749546 -3.85992 106.420000 Pd 0.808679 0.461484 2.23935e-16 385 106.42 0.0918849 -3.87162 106.420000 Pd 0.831391 0.487876 0.5 405 106.42 1.47505 -3.78775 106.420000 Pd 0.997852 0.45213 1.59633e-15 389 106.42 0.0239499 -3.9004 106.420000 Pd 0.901541 0.457056 0.5 391 106.42 0.072734 -3.88699 106.420000 Pd 0.91863 0.481522 1 406 106.42 7.59873 -3.72458 106.420000 Pd 0.149956 0.514398 1 2 106.42 7.61393 -3.65821 106.420000 Pd 0.0338403 0.530905 1.13805e-16 18 106.42 9.1455 -3.7111 106.420000 Pd 0.133424 0.536029 0.5 20 106.42 4.29183 -3.8125 106.420000 Pd 0.346425 0.514994 8.03957e-16 4 106.42 3.22802 -3.79194 106.420000 Pd 0.247376 0.514516 0.5 5 106.42 1.47355 -3.88417 106.420000 Pd 0.236482 0.539267 3.3215e-16 22 106.42 0.529871 -3.86977 106.420000 Pd 0.329496 0.54166 0.5 24 106.42 0.240232 -3.85411 106.420000 Pd 0.441398 0.521872 0.5 6 106.42 6.52638 -3.65327 106.420000 Pd 0.53384 0.530905 2.40466e-16 8 106.42 9.1455 -3.7111 106.420000 Pd 0.418452 0.546839 6.80035e-16 26 106.42 0.312614 -3.8571 106.420000 Pd 0.649956 0.514398 6.14049e-16 10 106.42 7.61393 -3.65821 106.420000 Pd 0.736482 0.539267 6.79895e-16 11 106.42 0.529871 -3.86977 106.420000 Pd 0.747376 0.514516 0.5 12 106.42 1.47355 -3.88417 106.420000 Pd 0.633424 0.536029 0.5 13 106.42 4.29183 -3.8125 106.420000 Pd 0.846425 0.514994 1.25543e-16 14 106.42 3.22802 -3.79194 106.420000 Pd 0.918452 0.546839 8.76315e-17 15 106.42 0.312614 -3.8571 106.420000 Pd 0.941398 0.521872 0.5 16 106.42 6.52638 -3.65327 106.420000 Pd 0.829496 0.54166 0.5 17 106.42 0.240232 -3.85411 106.420000 Pd 0.116217 0.558668 1 19 106.42 0.0499396 -3.89058 106.420000 Pd 0.0149558 0.553351 0.5 21 106.42 0.152983 -3.86883 106.420000 Pd 0.0962859 0.581907 0.5 40 106.42 0.0162302 -3.90113 106.420000 Pd 0.19355 0.586971 2.85407e-16 42 106.42 0.00674436 -3.89892 106.420000 Pd 0.309307 0.567626 2.23194e-16 23 106.42 0.0751756 -3.88083 106.420000 Pd 0.214774 0.5631 0.5 25 106.42 0.0967998 -3.89449 106.420000 Pd 0.289581 0.591868 0.5 44 106.42 0.0159692 -3.89616 106.420000 Pd 0.385282 0.596421 1 46 106.42 0.00704012 -3.89777 106.420000 Pd 0.402286 0.57193 0.5 27 106.42 0.0523835 -3.89042 106.420000 Pd 0.498421 0.576808 6.87777e-16 28 106.42 0.0383525 -3.89973 106.420000 Pd 0.514956 0.553351 0.5 29 106.42 0.152983 -3.86883 106.420000 Pd 0.596286 0.581907 0.5 33 106.42 0.0162302 -3.90113 106.420000 Pd 0.616217 0.558668 1.36397e-15 30 106.42 0.0499396 -3.89058 106.420000 Pd 0.69355 0.586971 2.24647e-16 31 106.42 0.00674436 -3.89892 106.420000 Pd 0.714774 0.5631 0.5 32 106.42 0.0967998 -3.89449 106.420000 Pd 0.789581 0.591868 0.5 37 106.42 0.0159692 -3.89616 106.420000 Pd 0.998421 0.576808 1.09906e-16 38 106.42 0.0383525 -3.89973 106.420000 Pd 0.809307 0.567626 2.01269e-16 34 106.42 0.0751756 -3.88083 106.420000 Pd 0.885282 0.596421 5.18509e-16 35 106.42 0.00704012 -3.89777 106.420000 Pd 0.902286 0.57193 0.5 36 106.42 0.0523835 -3.89042 106.420000 Pd 0.0771629 0.605742 5.58964e-20 39 106.42 0.00637381 -3.90142 106.420000 Pd 0.0585057 0.629848 0.5 60 106.42 0.00113038 -3.90035 106.420000 Pd 0.154563 0.634715 1 62 106.42 0.00113591 -3.90049 106.420000 Pd 0.173641 0.610785 0.5 45 106.42 0.00119457 -3.90001 106.420000 Pd 0.270226 0.61575 2.2536e-16 43 106.42 0.00174408 -3.89941 106.420000 Pd 0.366617 0.620505 0.5 47 106.42 0.0027979 -3.89941 106.420000 Pd 0.250992 0.639617 0.5 64 106.42 0.00024558 -3.90033 106.420000 Pd 0.347484 0.644452 1.59225e-15 66 106.42 0.000512815 -3.89999 106.420000 Pd 0.462694 0.625142 4.51685e-16 48 106.42 0.00118521 -3.89995 106.420000 Pd 0.480948 0.600916 0.5 49 106.42 0.00526857 -3.90121 106.420000 Pd 0.558506 0.629848 0.5 53 106.42 0.00113038 -3.90035 106.420000 Pd 0.443718 0.649226 0.5 68 106.42 0.000839702 -3.89974 106.420000 Pd 0.577163 0.605742 1.19805e-15 50 106.42 0.00637381 -3.90142 106.420000 Pd 0.654563 0.634715 2.48786e-15 51 106.42 0.00113591 -3.90049 106.420000 Pd 0.673641 0.610785 0.5 52 106.42 0.00119457 -3.90001 106.420000 Pd 0.770226 0.61575 1 54 106.42 0.00174408 -3.89941 106.420000 Pd 0.750992 0.639617 0.5 57 106.42 0.00024558 -3.90033 106.420000 Pd 0.980948 0.600916 0.5 41 106.42 0.00526857 -3.90121 106.420000 Pd 0.847484 0.644452 6.99892e-16 55 106.42 0.000512815 -3.89999 106.420000 Pd 0.866617 0.620505 0.5 56 106.42 0.0027979 -3.89941 106.420000 Pd 0.962694 0.625142 3.67099e-17 58 106.42 0.00118521 -3.89995 106.420000 Pd 0.943718 0.649226 0.5 61 106.42 0.000839702 -3.89974 106.420000 Pd 0.0396724 0.653969 1 59 106.42 0.00027235 -3.89995 106.420000 Pd 0.135713 0.658746 0.5 65 106.42 0.000261145 -3.90045 106.420000 Pd 0.0204943 0.678011 0.5 80 106.42 0.000105521 -3.90002 106.420000 Pd 0.116596 0.682786 1.39406e-16 82 106.42 0.000128693 -3.90027 106.420000 Pd 0.231923 0.66357 9.58287e-16 63 106.42 0.000261377 -3.90059 106.420000 Pd 0.328154 0.668406 0.5 69 106.42 0.000112154 -3.90038 106.420000 Pd 0.212684 0.687598 0.5 84 106.42 4.50448e-05 -3.90051 106.420000 Pd 0.308827 0.692422 1.28679e-15 86 106.42 1.85201e-05 -3.90046 106.420000 Pd 0.424333 0.673227 6.59158e-17 67 106.42 6.0288e-05 -3.90008 106.420000 Pd 0.539672 0.653969 1 70 106.42 0.00027235 -3.89995 106.420000 Pd 0.520494 0.678011 0.5 73 106.42 0.000105521 -3.90002 106.420000 Pd 0.40497 0.697227 0.5 88 106.42 9.13583e-06 -3.90032 106.420000 Pd 0.616596 0.682786 1 71 106.42 0.000128693 -3.90027 106.420000 Pd 0.635713 0.658746 0.5 72 106.42 0.000261145 -3.90045 106.420000 Pd 0.731923 0.66357 6.69541e-16 74 106.42 0.000261377 -3.90059 106.420000 Pd 0.712684 0.687598 0.5 77 106.42 4.50448e-05 -3.90051 106.420000 Pd 0.808827 0.692422 5.19836e-17 75 106.42 1.85201e-05 -3.90046 106.420000 Pd 0.828154 0.668406 0.5 76 106.42 0.000112154 -3.90038 106.420000 Pd 0.924333 0.673227 8.9015e-16 78 106.42 6.0288e-05 -3.90008 106.420000 Pd 0.90497 0.697227 0.5 81 106.42 9.13583e-06 -3.90032 106.420000 Pd 0.00111155 0.702026 1 79 106.42 1.77763e-05 -3.9002 106.420000 Pd 0.0971697 0.70682 0.5 85 106.42 1.29643e-05 -3.90021 106.420000 Pd 0.0777744 0.730838 8.18365e-16 102 106.42 7.62231e-06 -3.90022 106.420000 Pd 0.193293 0.711627 6.57621e-17 83 106.42 1.37219e-05 -3.9003 106.420000 Pd 0.173937 0.735636 0.5 104 106.42 1.42685e-05 -3.90025 106.420000 Pd 0.289467 0.716433 0.5 89 106.42 9.03677e-06 -3.90031 106.420000 Pd 0.27004 0.740442 1 106 106.42 2.40953e-06 -3.90028 106.420000 Pd 0.366154 0.745255 0.5 108 106.42 5.90978e-06 -3.90023 106.420000 Pd 0.385618 0.721243 1.47287e-16 87 106.42 2.97989e-05 -3.90028 106.420000 Pd 0.501112 0.702026 1 90 106.42 1.77763e-05 -3.9002 106.420000 Pd 0.481679 0.726047 0.5 93 106.42 9.29987e-06 -3.90021 106.420000 Pd 0.577774 0.730838 9.3305e-17 91 106.42 7.62231e-06 -3.90022 106.420000 Pd 0.59717 0.70682 0.5 92 106.42 1.29643e-05 -3.90021 106.420000 Pd 0.693293 0.711627 7.22321e-16 94 106.42 1.37219e-05 -3.9003 106.420000 Pd 0.77004 0.740442 1 95 106.42 2.40953e-06 -3.90028 106.420000 Pd 0.673937 0.735636 0.5 97 106.42 1.42685e-05 -3.90025 106.420000 Pd 0.789467 0.716433 0.5 96 106.42 9.03677e-06 -3.90031 106.420000 Pd 0.981679 0.726047 0.5 100 106.42 9.29987e-06 -3.90021 106.420000 Pd 0.885618 0.721243 1 98 106.42 2.97989e-05 -3.90028 106.420000 Pd 0.866154 0.745255 0.5 101 106.42 5.90978e-06 -3.90023 106.420000 Pd 0.154494 0.759646 1 103 106.42 8.5164e-06 -3.90026 106.420000 Pd 0.0584258 0.754851 0.5 105 106.42 3.8276e-05 -3.90023 106.420000 Pd 0.0389135 0.778863 1 122 106.42 1.39591e-05 -3.90024 106.420000 Pd 0.135023 0.783657 0.5 124 106.42 1.9674e-05 -3.90024 106.420000 Pd 0.346746 0.769261 1.87309e-16 107 106.42 4.02029e-06 -3.90028 106.420000 Pd 0.250618 0.764457 0.5 109 106.42 5.25183e-06 -3.90031 106.420000 Pd 0.231184 0.788458 8.98534e-17 126 106.42 4.33935e-06 -3.90028 106.420000 Pd 0.327309 0.793272 0.5 128 106.42 5.22896e-06 -3.90027 106.420000 Pd 0.462265 0.750055 5.0378e-16 111 106.42 3.01165e-06 -3.90021 106.420000 Pd 0.442844 0.774064 0.5 110 106.42 4.24164e-06 -3.90028 106.420000 Pd 0.538914 0.778863 1 112 106.42 1.39591e-05 -3.90024 106.420000 Pd 0.558426 0.754851 0.5 113 106.42 3.8276e-05 -3.90023 106.420000 Pd 0.423399 0.798084 8.96452e-16 130 106.42 2.72089e-05 -3.90023 106.420000 Pd 0.654494 0.759646 1.60128e-15 114 106.42 8.5164e-06 -3.90026 106.420000 Pd 0.731184 0.788458 3.40143e-16 115 106.42 4.33935e-06 -3.90028 106.420000 Pd 0.750618 0.764457 0.5 116 106.42 5.25183e-06 -3.90031 106.420000 Pd 0.635023 0.783657 0.5 117 106.42 1.9674e-05 -3.90024 106.420000 Pd 0.962265 0.750055 1 99 106.42 3.01165e-06 -3.90021 106.420000 Pd 0.846746 0.769261 1 118 106.42 4.02029e-06 -3.90028 106.420000 Pd 0.923399 0.798084 3.31619e-16 119 106.42 2.72089e-05 -3.90023 106.420000 Pd 0.942844 0.774064 0.5 120 106.42 4.24164e-06 -3.90028 106.420000 Pd 0.827309 0.793272 0.5 121 106.42 5.22896e-06 -3.90027 106.420000 Pd 0.115647 0.807665 1 123 106.42 8.59882e-06 -3.90025 106.420000 Pd 0.0194985 0.802876 0.5 125 106.42 1.10594e-05 -3.90025 106.420000 Pd 0.000154308 0.826892 1.15903e-15 142 106.42 2.33073e-05 -3.90021 106.420000 Pd 0.0962316 0.831679 0.5 144 106.42 1.51935e-05 -3.90024 106.420000 Pd 0.192409 0.836468 1.25279e-15 146 106.42 1.38291e-05 -3.90032 106.420000 Pd 0.307887 0.817273 8.00967e-16 127 106.42 1.29038e-05 -3.90027 106.420000 Pd 0.21174 0.812462 0.5 129 106.42 2.61634e-05 -3.90029 106.420000 Pd 0.288578 0.84128 0.5 148 106.42 2.48298e-05 -3.90037 106.420000 Pd 0.384648 0.846094 5.85514e-18 150 106.42 1.45636e-05 -3.90024 106.420000 Pd 0.404031 0.822082 0.5 131 106.42 4.32062e-06 -3.90019 106.420000 Pd 0.500154 0.826892 1.14402e-15 132 106.42 2.33073e-05 -3.90021 106.420000 Pd 0.519499 0.802876 0.5 133 106.42 1.10594e-05 -3.90025 106.420000 Pd 0.596232 0.831679 0.5 137 106.42 1.51935e-05 -3.90024 106.420000 Pd 0.615647 0.807665 1.41908e-15 134 106.42 8.59882e-06 -3.90025 106.420000 Pd 0.692409 0.836468 5.70101e-16 135 106.42 1.38291e-05 -3.90032 106.420000 Pd 0.71174 0.812462 0.5 136 106.42 2.61634e-05 -3.90029 106.420000 Pd 0.788578 0.84128 0.5 141 106.42 2.48298e-05 -3.90037 106.420000 Pd 0.807887 0.817273 1 138 106.42 1.29038e-05 -3.90027 106.420000 Pd 0.884648 0.846094 1 139 106.42 1.45636e-05 -3.90024 106.420000 Pd 0.904031 0.822082 0.5 140 106.42 4.32062e-06 -3.90019 106.420000 Pd 0.0768936 0.855688 2.16179e-17 143 106.42 4.24001e-05 -3.90009 106.420000 Pd 0.0573799 0.879692 0.5 164 106.42 0.00024651 -3.89984 106.420000 Pd 0.153485 0.884459 1 166 106.42 0.000232659 -3.90004 106.420000 Pd 0.173022 0.860471 0.5 149 106.42 3.62345e-05 -3.90026 106.420000 Pd 0.269158 0.865276 7.84659e-16 147 106.42 5.88748e-05 -3.90051 106.420000 Pd 0.36537 0.87011 0.5 151 106.42 0.000116219 -3.90042 106.420000 Pd 0.249808 0.889248 0.5 168 106.42 0.000156602 -3.90036 106.420000 Pd 0.346115 0.894107 4.41581e-18 170 106.42 0.000423733 -3.90045 106.420000 Pd 0.461419 0.874914 5.1549e-16 152 106.42 0.000106388 -3.90006 106.420000 Pd 0.480705 0.850894 0.5 153 106.42 5.408e-05 -3.90008 106.420000 Pd 0.55738 0.879692 0.5 157 106.42 0.00024651 -3.89984 106.420000 Pd 0.442187 0.898999 0.5 172 106.42 0.000666786 -3.90049 106.420000 Pd 0.576894 0.855688 5.49182e-16 154 106.42 4.24001e-05 -3.90009 106.420000 Pd 0.653485 0.884459 1.69984e-15 155 106.42 0.000232659 -3.90004 106.420000 Pd 0.673022 0.860471 0.5 156 106.42 3.62345e-05 -3.90026 106.420000 Pd 0.769158 0.865276 1 158 106.42 5.88748e-05 -3.90051 106.420000 Pd 0.749808 0.889248 0.5 161 106.42 0.000156602 -3.90036 106.420000 Pd 0.980705 0.850894 0.5 145 106.42 5.408e-05 -3.90008 106.420000 Pd 0.846115 0.894107 3.77077e-16 159 106.42 0.000423733 -3.90045 106.420000 Pd 0.86537 0.87011 0.5 160 106.42 0.000116219 -3.90042 106.420000 Pd 0.961419 0.874914 1 162 106.42 0.000106388 -3.90006 106.420000 Pd 0.942187 0.898999 0.5 165 106.42 0.000666786 -3.90049 106.420000 Pd 0.0380171 0.903766 3.78516e-16 163 106.42 0.000779131 -3.9002 106.420000 Pd 0.134043 0.908428 0.5 169 106.42 0.00153093 -3.89964 106.420000 Pd 0.0192043 0.927944 0.5 184 106.42 0.00551446 -3.90203 106.420000 Pd 0.115101 0.932499 1 186 106.42 0.00522626 -3.89914 106.420000 Pd 0.23037 0.913159 1 167 106.42 0.00148677 -3.89949 106.420000 Pd 0.326672 0.91807 0.5 173 106.42 0.000818756 -3.89977 106.420000 Pd 0.21086 0.937104 0.5 188 106.42 0.014294 -3.8957 106.420000 Pd 0.306383 0.942012 1 190 106.42 0.00708514 -3.89881 106.420000 Pd 0.422938 0.923074 4.55905e-16 171 106.42 0.00359131 -3.90156 106.420000 Pd 0.538017 0.903766 1 174 106.42 0.000779131 -3.9002 106.420000 Pd 0.519204 0.927944 0.5 177 106.42 0.00551446 -3.90203 106.420000 Pd 0.403075 0.94695 0.5 192 106.42 0.0169229 -3.90188 106.420000 Pd 0.615101 0.932499 1 175 106.42 0.00522626 -3.89914 106.420000 Pd 0.634043 0.908428 0.5 176 106.42 0.00153093 -3.89964 106.420000 Pd 0.73037 0.913159 1 178 106.42 0.00148677 -3.89949 106.420000 Pd 0.71086 0.937104 0.5 181 106.42 0.014294 -3.8957 106.420000 Pd 0.806383 0.942012 1 179 106.42 0.00708514 -3.89881 106.420000 Pd 0.826672 0.91807 0.5 180 106.42 0.000818756 -3.89977 106.420000 Pd 0.922938 0.923074 1 182 106.42 0.00359131 -3.90156 106.420000 Pd 0.903075 0.94695 0.5 185 106.42 0.0169229 -3.90188 106.420000 Pd 0.00115454 0.951917 1.12631e-16 183 106.42 0.0229387 -3.89999 106.420000 Pd 0.0977444 0.956905 0.5 189 106.42 0.0831914 -3.88641 106.420000 Pd 0.0807145 0.981299 1 205 106.42 7.71912 -3.71905 106.420000 Pd 0.190645 0.961388 1 187 106.42 0.0947514 -3.87009 106.420000 Pd 0.167908 0.987945 0.5 206 106.42 1.55851 -3.78646 106.420000 Pd 0.366891 0.992888 0.5 234 106.42 4.42497 -3.79556 106.420000 Pd 0.284411 0.966087 0.5 193 106.42 0.134072 -3.89123 106.420000 Pd 0.261727 0.989873 1 207 106.42 0.792058 -3.86354 106.420000 Pd 0.383341 0.970337 1 191 106.42 0.0594572 -3.89002 106.420000 Pd 0.467306 0.997925 2.18527e-16 209 106.42 12.9086 -3.63265 106.420000 Pd 0.501155 0.951917 1 194 106.42 0.0229387 -3.89999 106.420000 Pd 0.483767 0.975187 0.5 197 106.42 5.72064 -3.8104 106.420000 Pd 0.580715 0.981299 1 195 106.42 7.71912 -3.71905 106.420000 Pd 0.597744 0.956905 0.5 196 106.42 0.0831914 -3.88641 106.420000 Pd 0.690645 0.961388 5.68913e-16 198 106.42 0.0947514 -3.87009 106.420000 Pd 0.761727 0.989873 1.14965e-16 199 106.42 0.792058 -3.86354 106.420000 Pd 0.667908 0.987945 0.5 201 106.42 1.55851 -3.78646 106.420000 Pd 0.784411 0.966087 0.5 200 106.42 0.134072 -3.89123 106.420000 Pd 0.967306 0.997925 4.24784e-16 214 106.42 12.9086 -3.63265 106.420000 Pd 0.866891 0.992888 0.5 215 106.42 4.42497 -3.79556 106.420000 Pd 0.983767 0.975187 0.5 203 106.42 5.72064 -3.8104 106.420000 Pd 0.883341 0.970337 1 202 106.42 0.0594572 -3.89002