Number of particles = 459 A = 1 Angstrom (basic length-scale) H0(1,1) = 19.4528 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 77.9844 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61844 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 63.540000 Cu 0.0303008 0.0256837 1.08077e-16 243 63.54 1.77227 -3.43006 63.540000 Cu 0.153383 0.0393039 1.02384e-16 244 63.54 0.236625 -3.52584 63.540000 Cu 0.114154 0.02041 0.5 245 63.54 8.9151 -3.46893 63.540000 Cu 0.00301474 0.0035859 0.5 237 63.54 8.85642 -3.41144 63.540000 Cu 0.194816 0.0077643 3.35588e-18 247 63.54 7.09933 -3.22746 63.540000 Cu 0.32532 0.0203607 3.35588e-18 248 63.54 0.976301 -3.49624 63.540000 Cu 0.283714 0.00202494 0.5 249 63.54 7.52609 -3.39593 63.540000 Cu 0.238208 0.0307389 0.5 250 63.54 0.212674 -3.51306 63.540000 Cu 0.411641 0.0129959 0.5 252 63.54 3.5517 -3.07889 63.540000 Cu 0.44488 0.0340725 3.35588e-18 268 63.54 0.0310732 -3.53575 63.540000 Cu 0.503015 0.0035859 8.59945e-18 251 63.54 8.85642 -3.41144 63.540000 Cu 0.530301 0.0256837 0.5 270 63.54 1.77227 -3.43006 63.540000 Cu 0.614154 0.02041 2.58583e-17 272 63.54 8.9151 -3.46893 63.540000 Cu 0.653383 0.0393039 0.5 275 63.54 0.236625 -3.52584 63.540000 Cu 0.783714 0.00202494 3.35588e-18 234 63.54 7.52609 -3.39593 63.540000 Cu 0.82532 0.0203607 0.5 236 63.54 0.976301 -3.49624 63.540000 Cu 0.738208 0.0307389 1.34835e-18 273 63.54 0.212674 -3.51306 63.540000 Cu 0.694816 0.0077643 0.5 274 63.54 7.09933 -3.22746 63.540000 Cu 0.911641 0.0129959 4.83607e-17 235 63.54 3.5517 -3.07889 63.540000 Cu 0.94488 0.0340725 0.5 241 63.54 0.0310732 -3.53575 63.540000 Cu 0.0636579 0.0486632 0.5 246 63.54 0.186042 -3.52089 63.540000 Cu 0.0121471 0.0780753 0.5 258 63.54 0.0249779 -3.53664 63.540000 Cu 0.0993689 0.0692703 3.35588e-18 260 63.54 0.016272 -3.53806 63.540000 Cu 0.185747 0.060819 0.5 262 63.54 0.0181041 -3.53865 63.540000 Cu 0.273319 0.0514725 8.38971e-18 264 63.54 0.0348117 -3.53375 63.540000 Cu 0.306567 0.0732154 0.5 267 63.54 0.00374002 -3.53964 63.540000 Cu 0.392806 0.0644857 3.35588e-18 265 63.54 0.00399874 -3.53921 63.540000 Cu 0.358178 0.0428701 0.5 266 63.54 0.0238955 -3.53727 63.540000 Cu 0.478393 0.0560035 0.5 271 63.54 0.0165832 -3.53783 63.540000 Cu 0.563658 0.0486632 1.34835e-18 269 63.54 0.186042 -3.52089 63.540000 Cu 0.512147 0.0780753 4.58438e-18 292 63.54 0.0249779 -3.53664 63.540000 Cu 0.599369 0.0692703 0.5 294 63.54 0.016272 -3.53806 63.540000 Cu 0.806567 0.0732154 1.45921e-17 238 63.54 0.00374002 -3.53964 63.540000 Cu 0.685747 0.060819 1.36932e-17 296 63.54 0.0181041 -3.53865 63.540000 Cu 0.773319 0.0514725 0.5 297 63.54 0.0348117 -3.53375 63.540000 Cu 0.858178 0.0428701 1.89068e-17 239 63.54 0.0238955 -3.53727 63.540000 Cu 0.978393 0.0560035 3.35588e-18 240 63.54 0.0165832 -3.53783 63.540000 Cu 0.892806 0.0644857 0.5 242 63.54 0.00399874 -3.53921 63.540000 Cu 0.0472456 0.0993177 1.49816e-19 257 63.54 0.00151221 -3.53974 63.540000 Cu 0.133584 0.0907255 0.5 263 63.54 0.00136702 -3.53964 63.540000 Cu 0.220388 0.0819119 3.35588e-18 261 63.54 0.00431492 -3.53895 63.540000 Cu 0.168235 0.112104 3.35588e-18 284 63.54 0.000591504 -3.53987 63.540000 Cu 0.254476 0.103451 0.5 286 63.54 0.000578532 -3.53989 63.540000 Cu 0.340649 0.0948014 3.35588e-18 288 63.54 0.000749699 -3.53975 63.540000 Cu 0.460872 0.107957 7.94026e-18 289 63.54 0.00237831 -3.53946 63.540000 Cu 0.426564 0.0862506 0.5 290 63.54 0.00228733 -3.53948 63.540000 Cu 0.374892 0.116432 0.5 291 63.54 0.000231582 -3.53987 63.540000 Cu 0.633584 0.0907255 3.35588e-18 293 63.54 0.00136702 -3.53964 63.540000 Cu 0.547246 0.0993177 0.5 295 63.54 0.00151221 -3.53974 63.540000 Cu 0.720388 0.0819119 0.5 298 63.54 0.00431492 -3.53895 63.540000 Cu 0.668235 0.112104 0.5 319 63.54 0.000591503 -3.53987 63.540000 Cu 0.754476 0.103451 8.8092e-18 321 63.54 0.000578532 -3.53989 63.540000 Cu 0.874892 0.116432 3.35588e-18 253 63.54 0.000231583 -3.53987 63.540000 Cu 0.840649 0.0948014 0.5 254 63.54 0.000749699 -3.53975 63.540000 Cu 0.926564 0.0862506 1 256 63.54 0.00228733 -3.53948 63.540000 Cu 0.960872 0.107957 0.5 259 63.54 0.00237831 -3.53946 63.540000 Cu 0.116431 0.14228 3.16112e-17 281 63.54 8.71047e-05 -3.53994 63.540000 Cu 0.0818662 0.120799 0.5 282 63.54 0.000118456 -3.53991 63.540000 Cu 0.0301641 0.150926 0.5 283 63.54 2.14648e-05 -3.53994 63.540000 Cu 0.28882 0.125014 1.49816e-19 285 63.54 0.000114492 -3.53992 63.540000 Cu 0.202644 0.133642 0.5 287 63.54 9.46708e-05 -3.53994 63.540000 Cu 0.237078 0.155198 0 309 63.54 1.77815e-05 -3.53995 63.540000 Cu 0.32323 0.146593 0.5 311 63.54 3.20201e-05 -3.53994 63.540000 Cu 0.409357 0.138028 3.35588e-18 313 63.54 0.000258656 -3.53988 63.540000 Cu 0.495602 0.129417 0.5 315 63.54 0.000150258 -3.53991 63.540000 Cu 0.443936 0.159542 0.5 316 63.54 2.39059e-05 -3.53994 63.540000 Cu 0.530164 0.150926 3.35588e-18 314 63.54 2.14644e-05 -3.53994 63.540000 Cu 0.581866 0.120799 3.35588e-18 317 63.54 0.000118455 -3.53991 63.540000 Cu 0.616431 0.14228 0.5 320 63.54 8.7101e-05 -3.53994 63.540000 Cu 0.78882 0.125014 0.5 255 63.54 0.000114491 -3.53992 63.540000 Cu 0.82323 0.146593 3.35588e-18 276 63.54 3.20205e-05 -3.53994 63.540000 Cu 0.702644 0.133642 3.35588e-18 318 63.54 9.46704e-05 -3.53994 63.540000 Cu 0.737078 0.155198 0.5 344 63.54 1.77799e-05 -3.53995 63.540000 Cu 0.943936 0.159542 1.76484e-17 277 63.54 2.39067e-05 -3.53994 63.540000 Cu 0.909357 0.138028 0.5 278 63.54 0.000258657 -3.53988 63.540000 Cu 0.995602 0.129417 5.15368e-18 280 63.54 0.000150259 -3.53991 63.540000 Cu 0.0646717 0.172447 4.03006e-17 305 63.54 1.34919e-05 -3.53995 63.540000 Cu 0.150881 0.163821 0.5 307 63.54 1.31543e-05 -3.53995 63.540000 Cu 0.0991423 0.193993 0.5 308 63.54 1.24766e-06 -3.53996 63.540000 Cu 0.185348 0.185372 1.42026e-17 306 63.54 1.73682e-06 -3.53995 63.540000 Cu 0.271538 0.176757 0.5 312 63.54 4.74521e-06 -3.53995 63.540000 Cu 0.306022 0.19831 1.52813e-18 334 63.54 3.4797e-06 -3.53995 63.540000 Cu 0.357716 0.168157 2.18732e-18 310 63.54 3.23254e-05 -3.53994 63.540000 Cu 0.392234 0.189692 0.5 336 63.54 3.98406e-06 -3.53995 63.540000 Cu 0.478444 0.181075 2.57684e-18 338 63.54 3.88244e-06 -3.53995 63.540000 Cu 0.599142 0.193993 6.02261e-18 339 63.54 1.24307e-06 -3.53996 63.540000 Cu 0.564672 0.172447 0.5 340 63.54 1.34813e-05 -3.53995 63.540000 Cu 0.650881 0.163821 3.35588e-18 342 63.54 1.31531e-05 -3.53995 63.540000 Cu 0.806022 0.19831 0.5 300 63.54 3.48054e-06 -3.53995 63.540000 Cu 0.771538 0.176757 6.56195e-18 343 63.54 4.74501e-06 -3.53995 63.540000 Cu 0.685348 0.185372 0.5 345 63.54 1.73482e-06 -3.53995 63.540000 Cu 0.857716 0.168157 0.5 279 63.54 3.23276e-05 -3.53994 63.540000 Cu 0.892234 0.189692 3.35588e-18 301 63.54 3.98537e-06 -3.53995 63.540000 Cu 0.978444 0.181075 0.5 303 63.54 3.88395e-06 -3.53995 63.540000 Cu 0.0129351 0.202614 3.35588e-18 302 63.54 1.54801e-06 -3.53996 63.540000 Cu 0.0474145 0.224163 0.5 328 63.54 7.18772e-08 -3.53996 63.540000 Cu 0.133621 0.215543 3.35588e-18 330 63.54 9.84507e-08 -3.53996 63.540000 Cu 0.254308 0.228475 1.29441e-17 331 63.54 2.78125e-07 -3.53996 63.540000 Cu 0.219824 0.206924 0.5 332 63.54 4.61928e-07 -3.53996 63.540000 Cu 0.168103 0.237093 0.5 333 63.54 3.13925e-08 -3.53996 63.540000 Cu 0.426722 0.211236 5.39339e-18 335 63.54 4.57308e-07 -3.53996 63.540000 Cu 0.340516 0.219855 0.5 337 63.54 4.58088e-07 -3.53996 63.540000 Cu 0.461208 0.232783 0.5 361 63.54 8.35234e-08 -3.53996 63.540000 Cu 0.512935 0.202614 0.5 341 63.54 1.52455e-06 -3.53996 63.540000 Cu 0.547415 0.224163 3.35588e-18 363 63.54 6.42315e-08 -3.53996 63.540000 Cu 0.633621 0.215543 0.5 365 63.54 9.90507e-08 -3.53996 63.540000 Cu 0.668104 0.237093 2.74463e-17 364 63.54 5.35992e-08 -3.53996 63.540000 Cu 0.719825 0.206924 1.12362e-17 367 63.54 4.63336e-07 -3.53996 63.540000 Cu 0.754308 0.228475 0.5 368 63.54 2.75319e-07 -3.53996 63.540000 Cu 0.840516 0.219855 1 299 63.54 4.59165e-07 -3.53996 63.540000 Cu 0.926722 0.211236 0.5 304 63.54 4.61832e-07 -3.53996 63.540000 Cu 0.961208 0.232783 7.55973e-17 326 63.54 1.15922e-07 -3.53996 63.540000 Cu 0.0818966 0.245713 5.42335e-18 327 63.54 1.8019e-09 -3.53996 63.540000 Cu 0.0301718 0.275883 5.99265e-20 351 63.54 1.49865e-08 -3.53996 63.540000 Cu 0.116379 0.267263 0.5 353 63.54 7.1062e-09 -3.53996 63.540000 Cu 0.202586 0.258643 1.93263e-17 355 63.54 2.06877e-08 -3.53996 63.540000 Cu 0.323276 0.271573 8.38971e-19 356 63.54 2.73288e-08 -3.53996 63.540000 Cu 0.288793 0.250023 0.5 357 63.54 3.19998e-08 -3.53996 63.540000 Cu 0.375 0.241404 3.35588e-18 359 63.54 3.00705e-08 -3.53996 63.540000 Cu 0.49569 0.254333 3.35588e-18 360 63.54 1.7351e-08 -3.53996 63.540000 Cu 0.409482 0.262953 0.5 362 63.54 1.98523e-08 -3.53996 63.540000 Cu 0.581897 0.245713 0.5 366 63.54 4.81871e-08 -3.53996 63.540000 Cu 0.530173 0.275882 0.5 386 63.54 7.13116e-07 -3.53996 63.540000 Cu 0.616382 0.267261 3.35588e-18 388 63.54 3.37448e-07 -3.53996 63.540000 Cu 0.788793 0.250023 0 322 63.54 3.34037e-08 -3.53996 63.540000 Cu 0.823276 0.271573 0.5 325 63.54 1.34169e-08 -3.53996 63.540000 Cu 0.702587 0.258643 0.5 390 63.54 5.26547e-08 -3.53996 63.540000 Cu 0.909483 0.262953 3.35588e-18 323 63.54 9.88087e-09 -3.53996 63.540000 Cu 0.875 0.241404 0.5 324 63.54 3.63046e-08 -3.53996 63.540000 Cu 0.99569 0.254333 0.5 329 63.54 2.32896e-09 -3.53996 63.540000 Cu 0.150862 0.288812 3.35588e-18 352 63.54 3.29601e-08 -3.53996 63.540000 Cu 0.0646536 0.297433 0.5 354 63.54 8.39534e-08 -3.53996 63.540000 Cu 0.0991345 0.318981 3.35588e-18 376 63.54 3.16005e-07 -3.53996 63.540000 Cu 0.237069 0.280192 0.5 358 63.54 2.24996e-08 -3.53996 63.540000 Cu 0.185345 0.31036 0.5 378 63.54 2.397e-07 -3.53996 63.540000 Cu 0.271551 0.301742 1.5461e-17 380 63.54 3.63944e-07 -3.53996 63.540000 Cu 0.392241 0.314665 3.47574e-18 381 63.54 4.20819e-06 -3.53995 63.540000 Cu 0.357756 0.293122 0.5 382 63.54 5.56489e-07 -3.53996 63.540000 Cu 0.443966 0.284501 1.40528e-17 384 63.54 3.961e-07 -3.53996 63.540000 Cu 0.47845 0.306046 0.5 387 63.54 6.82762e-06 -3.53995 63.540000 Cu 0.564668 0.297424 3.35588e-18 385 63.54 4.13286e-06 -3.53995 63.540000 Cu 0.650867 0.288811 0.5 391 63.54 6.52062e-07 -3.53995 63.540000 Cu 0.599161 0.318973 0.5 410 63.54 5.95152e-06 -3.53995 63.540000 Cu 0.737071 0.280192 3.35588e-18 389 63.54 5.6706e-08 -3.53996 63.540000 Cu 0.685354 0.310359 1.00976e-17 412 63.54 7.07475e-07 -3.53995 63.540000 Cu 0.771554 0.301743 0.5 413 63.54 1.56185e-07 -3.53996 63.540000 Cu 0.857759 0.293123 3.35588e-18 347 63.54 3.68669e-08 -3.53996 63.540000 Cu 0.978445 0.306054 3.35588e-18 348 63.54 3.58736e-07 -3.53996 63.540000 Cu 0.943965 0.284503 0.5 349 63.54 2.86951e-08 -3.53996 63.540000 Cu 0.892239 0.314674 0.5 350 63.54 6.27121e-07 -3.53996 63.540000 Cu 0.0473943 0.349151 1.80678e-17 373 63.54 3.29845e-06 -3.53996 63.540000 Cu 0.0129211 0.327604 0.5 374 63.54 1.39505e-06 -3.53996 63.540000 Cu 0.133614 0.340526 0.5 379 63.54 2.08562e-06 -3.53995 63.540000 Cu 0.219821 0.33191 3.35588e-18 377 63.54 2.61306e-06 -3.53995 63.540000 Cu 0.306025 0.323289 0.5 383 63.54 4.38209e-06 -3.53995 63.540000 Cu 0.25428 0.353452 0.5 402 63.54 1.76438e-05 -3.53994 63.540000 Cu 0.340507 0.344823 2.99633e-20 404 63.54 3.0009e-05 -3.53995 63.540000 Cu 0.461341 0.357684 3.35588e-18 405 63.54 0.000354033 -3.53985 63.540000 Cu 0.426728 0.3362 0.5 406 63.54 4.55436e-05 -3.53994 63.540000 Cu 0.512976 0.327572 3.35588e-18 408 63.54 3.99406e-05 -3.53993 63.540000 Cu 0.633658 0.340521 4.70423e-18 409 63.54 5.70204e-06 -3.53995 63.540000 Cu 0.547493 0.34912 0.5 411 63.54 3.7221e-05 -3.53993 63.540000 Cu 0.806035 0.323294 3.35588e-18 346 63.54 6.44595e-07 -3.53996 63.540000 Cu 0.719838 0.331912 0.5 414 63.54 1.84203e-06 -3.53996 63.540000 Cu 0.754314 0.353471 1.37232e-17 437 63.54 6.45177e-06 -3.53996 63.540000 Cu 0.840509 0.344851 0.5 370 63.54 8.50119e-06 -3.53996 63.540000 Cu 0.926707 0.33623 3.54465e-17 372 63.54 5.24437e-06 -3.53996 63.540000 Cu 0.961162 0.357784 0.5 375 63.54 1.66875e-05 -3.53996 63.540000 Cu 0.116306 0.392241 3.35588e-18 397 63.54 1.1089e-05 -3.53994 63.540000 Cu 0.0818627 0.37069 0.5 398 63.54 1.40402e-05 -3.53995 63.540000 Cu 0.168074 0.362073 2.69669e-19 400 63.54 5.27088e-06 -3.53994 63.540000 Cu 0.288751 0.374976 3.35588e-18 401 63.54 0.000230549 -3.53994 63.540000 Cu 0.202502 0.383607 0.5 403 63.54 2.04403e-05 -3.53993 63.540000 Cu 0.323173 0.396487 0.5 427 63.54 0.0040387 -3.53945 63.540000 Cu 0.375001 0.366339 0.5 407 63.54 0.000351299 -3.5399 63.540000 Cu 0.409853 0.387719 3.35588e-18 429 63.54 0.00328934 -3.53927 63.540000 Cu 0.495909 0.379245 0.5 431 63.54 0.000241698 -3.53987 63.540000 Cu 0.582013 0.370674 3.35588e-18 433 63.54 3.02872e-05 -3.53993 63.540000 Cu 0.616506 0.392263 0.5 436 63.54 5.62789e-05 -3.53993 63.540000 Cu 0.788774 0.375046 0.5 371 63.54 8.41471e-05 -3.53995 63.540000 Cu 0.823097 0.39669 4.10497e-18 392 63.54 0.000465456 -3.53975 63.540000 Cu 0.702608 0.383663 1.73787e-18 434 63.54 4.49336e-05 -3.53995 63.540000 Cu 0.668142 0.362084 0.5 435 63.54 1.32688e-05 -3.53995 63.540000 Cu 0.874939 0.366427 7.25111e-18 369 63.54 5.53719e-05 -3.53994 63.540000 Cu 0.909333 0.388001 0.5 394 63.54 0.000148526 -3.5399 63.540000 Cu 0.995611 0.379333 8.98898e-20 396 63.54 3.61724e-05 -3.53995 63.540000 Cu 0.0300681 0.400862 0.5 399 63.54 0.000150093 -3.53997 63.540000 Cu 0.0645759 0.422421 7.87734e-17 421 63.54 0.000455258 -3.53997 63.540000 Cu 0.150791 0.413793 0.5 423 63.54 0.000620564 -3.53975 63.540000 Cu 0.185437 0.43549 3.35588e-18 422 63.54 0.0292731 -3.53774 63.540000 Cu 0.23691 0.405132 3.35588e-18 425 63.54 0.00256998 -3.53983 63.540000 Cu 0.270681 0.426721 0.5 428 63.54 0.0461634 -3.53228 63.540000 Cu 0.358614 0.417537 3.35588e-18 426 63.54 0.034863 -3.53517 63.540000 Cu 0.444452 0.409346 0.5 432 63.54 0.00213229 -3.53965 63.540000 Cu 0.392597 0.439446 0.5 449 63.54 0.0241183 -3.53868 63.540000 Cu 0.479009 0.430921 4.4046e-18 451 63.54 0.000797526 -3.53975 63.540000 Cu 0.530498 0.400819 3.35588e-18 430 63.54 0.000111187 -3.53988 63.540000 Cu 0.56499 0.422468 0.5 453 63.54 0.000377613 -3.53989 63.540000 Cu 0.651012 0.413888 3.35588e-18 455 63.54 0.000268032 -3.53992 63.540000 Cu 0.771184 0.427115 3.35588e-18 456 63.54 0.00485585 -3.53804 63.540000 Cu 0.737063 0.405278 0.5 457 63.54 0.000791209 -3.53983 63.540000 Cu 0.685723 0.435532 0.5 458 63.54 0.0128159 -3.53831 63.540000 Cu 0.943705 0.409569 3.35588e-18 393 63.54 0.000354885 -3.53979 63.540000 Cu 0.857337 0.418321 0.5 395 63.54 0.00116728 -3.53946 63.540000 Cu 0.891559 0.439956 2.05848e-17 417 63.54 0.00391109 -3.53846 63.540000 Cu 0.978154 0.431033 0.5 419 63.54 0.00189869 -3.53988 63.540000 Cu 0.0128768 0.452568 8.86313e-17 418 63.54 0.0163691 -3.53736 63.540000 Cu 0.0993965 0.443914 0.5 424 63.54 0.0164562 -3.53899 63.540000 Cu 0.0450049 0.473609 0.5 442 63.54 0.282723 -3.51853 63.540000 Cu 0.135725 0.465806 9.46839e-18 443 63.54 0.34438 -3.52646 63.540000 Cu 0.261871 0.475456 3.35588e-18 444 63.54 4.05655 -3.23952 63.540000 Cu 0.218196 0.457722 0.5 445 63.54 0.544353 -3.51081 63.540000 Cu 0.306609 0.446747 3.35588e-18 447 63.54 0.327958 -3.51586 63.540000 Cu 0.427514 0.46093 3.35588e-18 448 63.54 0.026207 -3.53797 63.540000 Cu 0.3424 0.46943 0.5 450 63.54 0.740705 -3.43743 63.540000 Cu 0.63421 0.465594 0.5 219 63.54 0.141958 -3.51524 63.540000 Cu 0.547289 0.474095 3.35588e-18 232 63.54 0.0755733 -3.53135 63.540000 Cu 0.599668 0.444109 3.35588e-18 452 63.54 0.00544675 -3.53972 63.540000 Cu 0.513063 0.452581 0.5 454 63.54 0.00371774 -3.53892 63.540000 Cu 0.751612 0.479965 0.5 1 63.54 4.75259 -3.44493 63.540000 Cu 0.718954 0.458036 2.57684e-18 6 63.54 0.0528561 -3.52949 63.540000 Cu 0.804863 0.448841 0.5 416 63.54 0.0114393 -3.53591 63.540000 Cu 0.83938 0.470732 2.2802e-17 415 63.54 0.0429043 -3.5309 63.540000 Cu 0.925317 0.461171 0.5 420 63.54 0.0413008 -3.53547 63.540000 Cu 0.0824022 0.497138 3.35588e-18 441 63.54 4.10149 -3.05482 63.540000 Cu 0.155871 0.487799 0.5 446 63.54 8.7744 -3.34557 63.540000 Cu 0.21457 0.502677 1 18 63.54 9.45955 -3.42089 63.540000 Cu 0.30589 0.508312 0.5 20 63.54 7.06045 -3.21545 63.540000 Cu 0.459751 0.483176 0.5 233 63.54 2.5865 -3.41178 63.540000 Cu 0.372056 0.490637 3.35588e-18 459 63.54 10.6975 -3.4207 63.540000 Cu 0.496835 0.504273 1.24048e-17 4 63.54 11.068 -3.44065 63.540000 Cu 0.582862 0.494134 0.5 7 63.54 8.14429 -3.0026 63.540000 Cu 0.667322 0.489879 1.72289e-17 230 63.54 9.45146 -3.36296 63.540000 Cu 0.784391 0.501887 5.45331e-18 438 63.54 11.0592 -3.20991 63.540000 Cu 0.998928 0.5042 0.5 2 63.54 11.4958 -3.46922 63.540000 Cu 0.875106 0.491067 0.5 439 63.54 5.3281 -3.37957 63.540000 Cu 0.963284 0.483357 1 440 63.54 2.20409 -3.43031 63.540000 Cu 0.0217115 0.55548 7.12226e-17 12 63.54 0.0527406 -3.53538 63.540000 Cu 0.0560224 0.533404 0.5 13 63.54 6.15779 -3.33693 63.540000 Cu 0.141341 0.542183 3.35588e-18 15 63.54 5.02429 -3.44432 63.540000 Cu 0.173591 0.520734 0.5 3 63.54 3.02952 -3.28022 63.540000 Cu 0.263561 0.53075 6.79267e-17 19 63.54 0.152903 -3.50797 63.540000 Cu 0.226533 0.551247 0.5 41 63.54 0.0489544 -3.53513 63.540000 Cu 0.38709 0.520864 2.94539e-17 21 63.54 8.9877 -3.47327 63.540000 Cu 0.437367 0.548733 3.35588e-18 22 63.54 0.270827 -3.50927 63.540000 Cu 0.472393 0.525346 0.5 23 63.54 3.57489 -3.33716 63.540000 Cu 0.347603 0.539614 0.5 24 63.54 0.255373 -3.52259 63.540000 Cu 0.557502 0.533218 3.35588e-18 25 63.54 6.51249 -3.32211 63.540000 Cu 0.643541 0.541575 0.5 27 63.54 6.14326 -3.43524 63.540000 Cu 0.523312 0.555302 0.5 28 63.54 0.059488 -3.53526 63.540000 Cu 0.678629 0.520968 5.99265e-20 5 63.54 14.8758 -3.15731 63.540000 Cu 0.766515 0.526219 0.5 10 63.54 4.05388 -3.37401 63.540000 Cu 0.728812 0.550405 3.35588e-18 29 63.54 0.105909 -3.51278 63.540000 Cu 0.813316 0.559732 0.5 31 63.54 0.100446 -3.51778 63.540000 Cu 0.88941 0.520708 0.5 9 63.54 10.2091 -3.24751 63.540000 Cu 0.846458 0.538822 3.35588e-18 8 63.54 0.694241 -3.43993 63.540000 Cu 0.971661 0.525669 3.08621e-17 11 63.54 3.29441 -3.34399 63.540000 Cu 0.936827 0.54868 0.5 14 63.54 0.367264 -3.50719 63.540000 Cu 0.106946 0.564197 0.5 17 63.54 0.00689273 -3.5383 63.540000 Cu 0.0732677 0.586034 2.20829e-17 37 63.54 0.0047062 -3.53893 63.540000 Cu 0.159175 0.594635 0.5 39 63.54 0.00153024 -3.5396 63.540000 Cu 0.193092 0.572951 1.40827e-18 16 63.54 0.00901284 -3.53859 63.540000 Cu 0.314467 0.560909 3.56563e-18 42 63.54 0.0275808 -3.53749 63.540000 Cu 0.27959 0.581837 0.5 45 63.54 0.00702277 -3.53829 63.540000 Cu 0.366723 0.590689 3.35588e-18 43 63.54 0.00265377 -3.53927 63.540000 Cu 0.401543 0.569273 0.5 44 63.54 0.0257291 -3.53685 63.540000 Cu 0.488898 0.577909 3.35588e-18 46 63.54 0.0458915 -3.53335 63.540000 Cu 0.453138 0.599236 0.5 49 63.54 0.00294826 -3.53973 63.540000 Cu 0.608263 0.563927 1.19853e-19 26 63.54 0.00454984 -3.53747 63.540000 Cu 0.573913 0.58592 0.5 48 63.54 0.00503534 -3.53848 63.540000 Cu 0.659478 0.594467 3.35588e-18 50 63.54 0.00186785 -3.5391 63.540000 Cu 0.779316 0.581436 1.0607e-17 30 63.54 0.00570127 -3.5384 63.540000 Cu 0.693597 0.57244 0.5 32 63.54 0.00870166 -3.53722 63.540000 Cu 0.900046 0.568867 1.83075e-17 33 63.54 0.0286967 -3.53614 63.540000 Cu 0.952385 0.599089 3.35588e-18 34 63.54 0.00296177 -3.53961 63.540000 Cu 0.987875 0.577955 0.5 35 63.54 0.0593977 -3.5337 63.540000 Cu 0.865748 0.590268 0.5 36 63.54 0.00367298 -3.53931 63.540000 Cu 0.124989 0.616298 1.89068e-17 38 63.54 0.000482474 -3.53985 63.540000 Cu 0.0390345 0.607853 0.5 40 63.54 0.00575511 -3.53934 63.540000 Cu 0.00423664 0.629289 5.96269e-18 58 63.54 0.000310876 -3.53995 63.540000 Cu 0.0905919 0.637947 0.5 60 63.54 0.000581151 -3.53991 63.540000 Cu 0.245401 0.603331 3.35588e-18 64 63.54 0.00127909 -3.53976 63.540000 Cu 0.297317 0.633565 3.35588e-18 65 63.54 0.000170527 -3.53995 63.540000 Cu 0.331791 0.612033 0.5 66 63.54 0.000866513 -3.53989 63.540000 Cu 0.211102 0.624917 0.5 67 63.54 0.000198636 -3.53992 63.540000 Cu 0.418228 0.620744 3.35588e-18 68 63.54 0.000311574 -3.5399 63.540000 Cu 0.539375 0.607845 3.35588e-18 47 63.54 0.00508879 -3.53917 63.540000 Cu 0.625148 0.616261 0.5 53 63.54 0.000811104 -3.53973 63.540000 Cu 0.504464 0.629353 0.5 70 63.54 0.000421303 -3.53993 63.540000 Cu 0.590682 0.637951 3.35588e-18 72 63.54 0.000612343 -3.53988 63.540000 Cu 0.711139 0.624859 5.75294e-18 51 63.54 0.000317834 -3.5398 63.540000 Cu 0.74531 0.603125 0.5 52 63.54 0.00137134 -3.53919 63.540000 Cu 0.831536 0.611855 3.35588e-18 54 63.54 0.00057149 -3.53971 63.540000 Cu 0.797267 0.633489 0.5 57 63.54 0.000193426 -3.53984 63.540000 Cu 0.917876 0.620585 0.5 56 63.54 0.000448933 -3.53988 63.540000 Cu 0.0560148 0.659466 1 59 63.54 2.88677e-05 -3.53997 63.540000 Cu 0.142265 0.668096 0.5 63 63.54 5.67918e-05 -3.53996 63.540000 Cu 0.176722 0.646513 3.35588e-18 62 63.54 5.29301e-05 -3.53995 63.540000 Cu 0.228447 0.6767 3.35588e-18 88 63.54 6.33698e-06 -3.53996 63.540000 Cu 0.262896 0.655133 0.5 89 63.54 2.67265e-05 -3.53995 63.540000 Cu 0.469851 0.650876 3.35588e-18 69 63.54 4.37213e-05 -3.53995 63.540000 Cu 0.383568 0.642223 0.5 71 63.54 0.000108743 -3.53996 63.540000 Cu 0.349105 0.663765 3.35588e-18 90 63.54 2.12902e-05 -3.53996 63.540000 Cu 0.435325 0.672397 0.5 92 63.54 1.33903e-05 -3.53996 63.540000 Cu 0.64229 0.6681 2.12739e-18 73 63.54 6.85343e-05 -3.53995 63.540000 Cu 0.556075 0.659488 0.5 75 63.54 4.50404e-05 -3.53995 63.540000 Cu 0.676762 0.646505 0.5 74 63.54 0.000118151 -3.53994 63.540000 Cu 0.762908 0.655115 1.18654e-17 76 63.54 5.61043e-05 -3.53994 63.540000 Cu 0.728459 0.676698 0.5 79 63.54 1.47349e-05 -3.53996 63.540000 Cu 0.88349 0.642157 3.35588e-18 55 63.54 0.000109968 -3.53992 63.540000 Cu 0.969754 0.650821 0.5 61 63.54 5.39667e-05 -3.53996 63.540000 Cu 0.849093 0.663741 0.5 78 63.54 3.34879e-05 -3.53995 63.540000 Cu 0.935306 0.672378 1.19853e-17 80 63.54 1.51083e-05 -3.53996 63.540000 Cu 0.0215338 0.681011 0.5 82 63.54 5.04834e-06 -3.53996 63.540000 Cu 0.107754 0.689637 3.35588e-18 84 63.54 2.46778e-06 -3.53996 63.540000 Cu 0.159482 0.719807 2.445e-17 85 63.54 1.72653e-07 -3.53996 63.540000 Cu 0.0732722 0.711186 0.5 87 63.54 3.43278e-07 -3.53996 63.540000 Cu 0.193972 0.69826 0.5 86 63.54 4.44968e-06 -3.53996 63.540000 Cu 0.314645 0.685321 0.5 93 63.54 2.93606e-06 -3.53996 63.540000 Cu 0.280172 0.706875 3.35588e-18 111 63.54 5.61126e-07 -3.53996 63.540000 Cu 0.400854 0.693944 3.35588e-18 91 63.54 1.92679e-06 -3.53996 63.540000 Cu 0.487064 0.702567 0.5 97 63.54 1.30892e-06 -3.53996 63.540000 Cu 0.366377 0.715496 0.5 113 63.54 2.17214e-07 -3.53996 63.540000 Cu 0.521559 0.681026 2.99633e-20 94 63.54 4.39808e-06 -3.53996 63.540000 Cu 0.573278 0.71119 1.36333e-17 95 63.54 4.03292e-07 -3.53996 63.540000 Cu 0.607768 0.689643 0.5 96 63.54 4.41622e-06 -3.53996 63.540000 Cu 0.659484 0.719808 0.5 101 63.54 3.57051e-07 -3.53996 63.540000 Cu 0.814649 0.685316 3.35588e-18 77 63.54 7.54519e-06 -3.53996 63.540000 Cu 0.693978 0.698261 1.7978e-19 98 63.54 6.08206e-06 -3.53996 63.540000 Cu 0.780174 0.706875 0.5 100 63.54 1.29034e-06 -3.53996 63.540000 Cu 0.98706 0.702563 8.98898e-20 81 63.54 1.33726e-06 -3.53996 63.540000 Cu 0.90085 0.693938 0.5 83 63.54 3.77784e-06 -3.53996 63.540000 Cu 0.866378 0.715495 2.15436e-17 102 63.54 6.96576e-07 -3.53996 63.540000 Cu 0.0387914 0.732736 3.35588e-18 106 63.54 7.81213e-08 -3.53996 63.540000 Cu 0.124999 0.741357 0.5 108 63.54 1.34622e-08 -3.53996 63.540000 Cu 0.00430987 0.754286 0.5 109 63.54 4.9814e-08 -3.53996 63.540000 Cu 0.331896 0.737046 3.35588e-18 112 63.54 7.71579e-08 -3.53996 63.540000 Cu 0.245691 0.728428 0.5 114 63.54 2.69602e-07 -3.53996 63.540000 Cu 0.211206 0.749977 6.26232e-18 134 63.54 2.13654e-08 -3.53996 63.540000 Cu 0.297413 0.758597 0.5 136 63.54 5.83138e-08 -3.53996 63.540000 Cu 0.452585 0.724116 8.98898e-20 115 63.54 1.0511e-07 -3.53996 63.540000 Cu 0.418103 0.745666 0.5 118 63.54 7.3846e-08 -3.53996 63.540000 Cu 0.50431 0.754286 3.35588e-18 116 63.54 1.78476e-08 -3.53996 63.540000 Cu 0.538792 0.732737 0.5 117 63.54 6.89092e-08 -3.53996 63.540000 Cu 0.625001 0.741357 3.35588e-18 119 63.54 3.54051e-08 -3.53996 63.540000 Cu 0.745692 0.728428 1.76783e-18 99 63.54 3.98246e-07 -3.53996 63.540000 Cu 0.831896 0.737046 0.5 105 63.54 1.09782e-07 -3.53996 63.540000 Cu 0.711207 0.749977 0.5 121 63.54 3.11112e-08 -3.53996 63.540000 Cu 0.797414 0.758597 3.35588e-18 123 63.54 5.84092e-08 -3.53996 63.540000 Cu 0.918103 0.745666 3.35588e-18 103 63.54 1.51208e-07 -3.53996 63.540000 Cu 0.952584 0.724115 0.5 104 63.54 2.94975e-07 -3.53996 63.540000 Cu 0.0905177 0.762906 1.23149e-17 107 63.54 3.17295e-08 -3.53996 63.540000 Cu 0.0560351 0.784455 0.5 129 63.54 4.74804e-07 -3.53996 63.540000 Cu 0.142245 0.793077 3.35588e-18 131 63.54 6.19701e-07 -3.53996 63.540000 Cu 0.176725 0.771527 0.5 110 63.54 4.17478e-08 -3.53996 63.540000 Cu 0.26293 0.780146 3.35588e-18 135 63.54 7.9289e-08 -3.53996 63.540000 Cu 0.383618 0.767215 8.4796e-18 137 63.54 4.08401e-07 -3.53996 63.540000 Cu 0.435332 0.797378 3.35588e-18 138 63.54 5.27482e-06 -3.53995 63.540000 Cu 0.469828 0.775835 0.5 139 63.54 7.08537e-07 -3.53996 63.540000 Cu 0.349133 0.788765 0.5 140 63.54 6.79711e-07 -3.53996 63.540000 Cu 0.590518 0.762907 0.5 122 63.54 1.91048e-08 -3.53996 63.540000 Cu 0.556035 0.784455 1.70791e-18 141 63.54 4.58893e-07 -3.53996 63.540000 Cu 0.642245 0.793077 0.5 143 63.54 6.12383e-07 -3.53996 63.540000 Cu 0.676725 0.771527 1.20452e-17 120 63.54 5.51315e-08 -3.53996 63.540000 Cu 0.76293 0.780146 0.5 126 63.54 7.91988e-08 -3.53996 63.540000 Cu 0.849134 0.788765 3.35588e-18 124 63.54 6.74668e-07 -3.53996 63.540000 Cu 0.883618 0.767215 0.5 125 63.54 4.03154e-07 -3.53996 63.540000 Cu 0.969828 0.775835 3.35588e-18 127 63.54 7.49214e-07 -3.53996 63.540000 Cu 0.935332 0.797378 0.5 130 63.54 5.2715e-06 -3.53995 63.540000 Cu 0.0215516 0.806 3.35588e-18 128 63.54 6.94623e-06 -3.53995 63.540000 Cu 0.107765 0.814622 0.5 133 63.54 5.96362e-06 -3.53995 63.540000 Cu 0.0732783 0.836155 1.19853e-19 153 63.54 5.24889e-05 -3.53994 63.540000 Cu 0.193982 0.823248 3.35588e-18 132 63.54 7.50915e-06 -3.53995 63.540000 Cu 0.228451 0.801697 0.5 157 63.54 7.8333e-07 -3.53996 63.540000 Cu 0.31465 0.810315 3.35588e-18 158 63.54 1.15155e-06 -3.53995 63.540000 Cu 0.280183 0.831872 0.5 161 63.54 8.75752e-06 -3.53995 63.540000 Cu 0.400842 0.818929 0.5 160 63.54 7.20152e-06 -3.53995 63.540000 Cu 0.487023 0.827526 1.7978e-18 162 63.54 5.60798e-05 -3.53993 63.540000 Cu 0.607765 0.814622 8.26986e-18 142 63.54 5.95739e-06 -3.53995 63.540000 Cu 0.521552 0.806 0.5 144 63.54 6.92549e-06 -3.53995 63.540000 Cu 0.573278 0.836155 0.5 164 63.54 5.24811e-05 -3.53994 63.540000 Cu 0.728451 0.801698 3.35588e-18 145 63.54 7.92094e-07 -3.53996 63.540000 Cu 0.780183 0.831872 3.35588e-18 146 63.54 8.76141e-06 -3.53995 63.540000 Cu 0.81465 0.810315 0.5 147 63.54 1.15131e-06 -3.53995 63.540000 Cu 0.693983 0.823248 0.5 148 63.54 7.5064e-06 -3.53995 63.540000 Cu 0.900842 0.818929 1 149 63.54 7.19883e-06 -3.53995 63.540000 Cu 0.987023 0.827526 0.5 151 63.54 5.60788e-05 -3.53993 63.540000 Cu 0.125016 0.866297 1.26145e-17 154 63.54 0.000453537 -3.53989 63.540000 Cu 0.159514 0.844787 0.5 155 63.54 5.36534e-05 -3.53995 63.540000 Cu 0.0386555 0.857635 0.5 156 63.54 0.000529672 -3.53982 63.540000 Cu 0.00409286 0.879207 2.88546e-17 174 63.54 0.000443111 -3.53982 63.540000 Cu 0.24575 0.853429 3.35588e-18 180 63.54 5.98267e-05 -3.53994 63.540000 Cu 0.331932 0.862056 0.5 182 63.54 6.49734e-05 -3.53993 63.540000 Cu 0.211307 0.874959 0.5 183 63.54 0.000437881 -3.53994 63.540000 Cu 0.366361 0.840482 3.02629e-18 159 63.54 1.12566e-05 -3.53995 63.540000 Cu 0.452515 0.84908 0.5 165 63.54 6.01371e-05 -3.53992 63.540000 Cu 0.418037 0.870647 8.92905e-18 184 63.54 9.23477e-05 -3.53991 63.540000 Cu 0.538655 0.857635 1.11164e-17 163 63.54 0.000529672 -3.53982 63.540000 Cu 0.659514 0.844787 0 166 63.54 5.36519e-05 -3.53995 63.540000 Cu 0.625016 0.866297 0.5 169 63.54 0.000453534 -3.53989 63.540000 Cu 0.504093 0.879207 0.5 186 63.54 0.000443111 -3.53982 63.540000 Cu 0.711307 0.874959 1.03074e-17 167 63.54 0.00043788 -3.53994 63.540000 Cu 0.74575 0.853429 0.5 168 63.54 5.98256e-05 -3.53994 63.540000 Cu 0.831932 0.862056 3.80533e-18 170 63.54 6.49748e-05 -3.53993 63.540000 Cu 0.952515 0.84908 9.52831e-18 150 63.54 6.01362e-05 -3.53992 63.540000 Cu 0.866361 0.840482 0.5 152 63.54 1.12566e-05 -3.53995 63.540000 Cu 0.918037 0.870647 0.5 172 63.54 9.23477e-05 -3.53991 63.540000 Cu 0.0553966 0.9093 1 175 63.54 0.00356387 -3.53943 63.540000 Cu 0.090094 0.887654 0.5 176 63.54 0.00481907 -3.53894 63.540000 Cu 0.141123 0.9174 0.5 179 63.54 0.0483031 -3.53336 63.540000 Cu 0.176842 0.896441 3.35588e-18 178 63.54 0.0050808 -3.53934 63.540000 Cu 0.297588 0.883632 3.35588e-18 181 63.54 0.000353701 -3.53988 63.540000 Cu 0.263241 0.905148 0.5 205 63.54 0.00412626 -3.53968 63.540000 Cu 0.469554 0.900803 3.29596e-18 185 63.54 0.000480758 -3.53977 63.540000 Cu 0.383665 0.892274 0.5 187 63.54 0.000482615 -3.53983 63.540000 Cu 0.349434 0.913925 2.99633e-20 206 63.54 0.0016772 -3.53954 63.540000 Cu 0.590094 0.887654 1.49816e-17 188 63.54 0.00481907 -3.53894 63.540000 Cu 0.641123 0.9174 3.35588e-18 189 63.54 0.0483031 -3.53336 63.540000 Cu 0.555397 0.9093 0.5 191 63.54 0.00356387 -3.53943 63.540000 Cu 0.797588 0.883632 0.5 173 63.54 0.000353701 -3.53988 63.540000 Cu 0.676842 0.896441 0.5 190 63.54 0.0050808 -3.53934 63.540000 Cu 0.763241 0.905148 3.00531e-17 192 63.54 0.00412626 -3.53968 63.540000 Cu 0.883665 0.892274 3.62555e-18 171 63.54 0.000482615 -3.53983 63.540000 Cu 0.969554 0.900803 0.5 177 63.54 0.000480758 -3.53977 63.540000 Cu 0.849434 0.913925 0.5 194 63.54 0.0016772 -3.53954 63.540000 Cu 0.0207519 0.930939 0.5 198 63.54 0.00360808 -3.53898 63.540000 Cu 0.10702 0.93933 3.35588e-18 200 63.54 0.0308359 -3.5377 63.540000 Cu 0.193193 0.946441 0.5 202 63.54 0.387668 -3.51368 63.540000 Cu 0.229394 0.926624 1.89967e-17 204 63.54 0.0489975 -3.53192 63.540000 Cu 0.314923 0.935582 0.5 209 63.54 0.0325451 -3.53726 63.540000 Cu 0.281225 0.957452 2.99633e-20 224 63.54 0.409685 -3.52015 63.540000 Cu 0.40071 0.944291 9.67813e-18 207 63.54 0.00402085 -3.53889 63.540000 Cu 0.435189 0.922564 0.5 208 63.54 0.00156418 -3.53957 63.540000 Cu 0.486002 0.952984 0.5 213 63.54 0.0230933 -3.53863 63.540000 Cu 0.520752 0.930939 3.35588e-18 210 63.54 0.00360808 -3.53898 63.540000 Cu 0.60702 0.93933 0.5 212 63.54 0.0308359 -3.5377 63.540000 Cu 0.814923 0.935582 3.26599e-18 193 63.54 0.0325451 -3.53726 63.540000 Cu 0.729394 0.926624 0.5 195 63.54 0.0489975 -3.53192 63.540000 Cu 0.693193 0.946441 9.01894e-18 214 63.54 0.387668 -3.51368 63.540000 Cu 0.781225 0.957452 0.5 216 63.54 0.409685 -3.52015 63.540000 Cu 0.935189 0.922564 2.92441e-17 196 63.54 0.00156418 -3.53957 63.540000 Cu 0.986002 0.952984 3.37087e-17 197 63.54 0.0230933 -3.53863 63.540000 Cu 0.90071 0.944291 0.5 199 63.54 0.00402085 -3.53889 63.540000 Cu 0.157027 0.969162 3.35588e-18 201 63.54 0.728719 -3.43894 63.540000 Cu 0.0726916 0.960722 0.5 203 63.54 0.0314757 -3.53715 63.540000 Cu 0.0392176 0.983179 1.98656e-17 222 63.54 4.02735 -3.32452 63.540000 Cu 0.128124 0.990404 0.5 223 63.54 7.36901 -3.41692 63.540000 Cu 0.237138 0.975092 0.5 227 63.54 4.06886 -3.2419 63.540000 Cu 0.340167 0.987422 3.35588e-18 225 63.54 6.97404 -3.1537 63.540000 Cu 0.365196 0.966375 0.5 226 63.54 3.87017 -3.43733 63.540000 Cu 0.453598 0.974498 1.71989e-17 228 63.54 3.61582 -3.37652 63.540000 Cu 0.572692 0.960722 3.35588e-18 211 63.54 0.0314757 -3.53715 63.540000 Cu 0.657027 0.969162 0.5 217 63.54 0.728719 -3.43894 63.540000 Cu 0.539218 0.983179 0.5 229 63.54 4.02735 -3.32452 63.540000 Cu 0.628124 0.990404 3.35588e-18 231 63.54 7.36901 -3.41692 63.540000 Cu 0.737138 0.975092 1.37831e-18 215 63.54 4.06886 -3.2419 63.540000 Cu 0.840167 0.987422 0.5 221 63.54 6.97404 -3.1537 63.540000 Cu 0.865196 0.966375 3.02629e-18 218 63.54 3.87017 -3.43733 63.540000 Cu 0.953598 0.974498 0.5 220 63.54 3.61582 -3.37652