LAMMPS data file via write_data, version 3 Nov 2022, timestep = 100000 726 atoms 4 atom types 420 bonds 1 bond types 210 angles 1 angle types 0 17.6494 xlo xhi 0 20.3798 ylo yhi 0 26 zlo zhi Masses 1 500 2 196.97 3 15.9994 4 1.008 Pair Coeffs # lj/cut/coul/long 1 0.069 2.78 2 5.29 2.951 3 0.1553 3.166 4 0 0 Bond Coeffs # harmonic 1 600 1 Angle Coeffs # harmonic 1 75 109.47 Atoms # full 49 25 2 0.008543040314262548 0 0 2.4018 0 0 0 50 25 2 0.0160448240953976 1.4708 2.5475 2.4018 0 0 0 51 26 2 -0.0079256875305239 0 5.0949 2.4018 0 0 0 57 29 2 -0.005227878579680007 2.9416 0 2.4018 0 0 0 58 29 2 0.01534182829253148 4.4124 2.5475 2.4018 0 0 0 59 30 2 0.005249625623138609 2.9416 5.0949 2.4018 0 0 0 676 242 3 -0.8476 2.819460981381933 5.027845836373835 5.552858700712285 1 0 0 677 242 4 0.4238 3.6237064095951212 5.498057979630644 5.1894159030362905 1 0 0 678 242 4 0.4238 3.0474931330566792 4.071918834795528 5.737806475295655 1 0 0 709 253 3 -0.8476 3.326005069719568 2.1405935467748485 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7 1 103 104 8 1 103 105 9 1 712 713 10 1 712 714 11 1 604 605 12 1 604 606 13 1 388 389 14 1 388 390 15 1 586 587 16 1 586 588 17 1 601 602 18 1 601 603 19 1 316 317 20 1 316 318 21 1 421 422 22 1 421 423 23 1 643 644 24 1 643 645 25 1 691 692 26 1 691 693 27 1 367 368 28 1 367 369 29 1 169 170 30 1 169 171 31 1 541 542 32 1 541 543 33 1 520 521 34 1 520 522 35 1 211 212 36 1 211 213 37 1 205 206 38 1 205 207 39 1 679 680 40 1 679 681 41 1 298 299 42 1 298 300 43 1 496 497 44 1 496 498 45 1 187 188 46 1 187 189 47 1 385 386 48 1 385 387 49 1 430 431 50 1 430 432 51 1 475 476 52 1 475 477 53 1 577 578 54 1 577 579 55 1 280 281 56 1 280 282 57 1 115 116 58 1 115 117 59 1 196 197 60 1 196 198 61 1 241 242 62 1 241 243 63 1 400 401 64 1 400 402 65 1 562 563 66 1 562 564 67 1 664 665 68 1 664 666 69 1 637 638 70 1 637 639 71 1 652 653 72 1 652 654 73 1 256 257 74 1 256 258 75 1 424 425 76 1 424 426 77 1 466 467 78 1 466 468 79 1 580 581 80 1 580 582 81 1 352 353 82 1 352 354 83 1 292 293 84 1 292 294 85 1 574 575 86 1 574 576 87 1 436 437 88 1 436 438 89 1 700 701 90 1 700 702 91 1 106 107 92 1 106 108 93 1 376 377 94 1 376 378 95 1 358 359 96 1 358 360 97 1 289 290 98 1 289 291 99 1 406 407 100 1 406 408 101 1 523 524 102 1 523 525 103 1 625 626 104 1 625 627 105 1 136 137 106 1 136 138 107 1 184 185 108 1 184 186 109 1 313 314 110 1 313 315 111 1 238 239 112 1 238 240 113 1 403 404 114 1 403 405 115 1 697 698 116 1 697 699 117 1 382 383 118 1 382 384 119 1 670 671 120 1 670 672 121 1 394 395 122 1 394 396 123 1 202 203 124 1 202 204 125 1 346 347 126 1 346 348 127 1 571 572 128 1 571 573 129 1 589 590 130 1 589 591 131 1 607 608 132 1 607 609 133 1 274 275 134 1 274 276 135 1 112 113 136 1 112 114 137 1 343 344 138 1 343 345 139 1 253 254 140 1 253 255 141 1 109 110 142 1 109 111 143 1 307 308 144 1 307 309 145 1 685 686 146 1 685 687 147 1 271 272 148 1 271 273 149 1 481 482 150 1 481 483 151 1 721 722 152 1 721 723 153 1 208 209 154 1 208 210 155 1 469 470 156 1 469 471 157 1 688 689 158 1 688 690 159 1 634 635 160 1 634 636 161 1 433 434 162 1 433 435 163 1 415 416 164 1 415 417 165 1 217 218 166 1 217 219 167 1 478 479 168 1 478 480 169 1 361 362 170 1 361 363 171 1 484 485 172 1 484 486 173 1 661 662 174 1 661 663 175 1 100 101 176 1 100 102 177 1 178 179 178 1 178 180 179 1 214 215 180 1 214 216 181 1 538 539 182 1 538 540 183 1 226 227 184 1 226 228 185 1 706 707 186 1 706 708 187 1 373 374 188 1 373 375 189 1 682 683 190 1 682 684 191 1 595 596 192 1 595 597 193 1 649 650 194 1 649 651 195 1 337 338 196 1 337 339 197 1 325 326 198 1 325 327 199 1 535 536 200 1 535 537 201 1 514 515 202 1 514 516 203 1 166 167 204 1 166 168 205 1 517 518 206 1 517 519 207 1 148 149 208 1 148 150 209 1 328 329 210 1 328 330 211 1 457 458 212 1 457 459 213 1 118 119 214 1 118 120 215 1 190 191 216 1 190 192 217 1 97 98 218 1 97 99 219 1 244 245 220 1 244 246 221 1 631 632 222 1 631 633 223 1 295 296 224 1 295 297 225 1 334 335 226 1 334 336 227 1 655 656 228 1 655 657 229 1 331 332 230 1 331 333 231 1 223 224 232 1 223 225 233 1 283 284 234 1 283 285 235 1 694 695 236 1 694 696 237 1 508 509 238 1 508 510 239 1 262 263 240 1 262 264 241 1 460 461 242 1 460 462 243 1 355 356 244 1 355 357 245 1 439 440 246 1 439 441 247 1 592 593 248 1 592 594 249 1 229 230 250 1 229 231 251 1 442 443 252 1 442 444 253 1 553 554 254 1 553 555 255 1 247 248 256 1 247 249 257 1 724 725 258 1 724 726 259 1 340 341 260 1 340 342 261 1 364 365 262 1 364 366 263 1 502 503 264 1 502 504 265 1 259 260 266 1 259 261 267 1 640 641 268 1 640 642 269 1 532 533 270 1 532 534 271 1 235 236 272 1 235 237 273 1 121 122 274 1 121 123 275 1 265 266 276 1 265 267 277 1 547 548 278 1 547 549 279 1 619 620 280 1 619 621 281 1 715 716 282 1 715 717 283 1 646 647 284 1 646 648 285 1 565 566 286 1 565 567 287 1 544 545 288 1 544 546 289 1 493 494 290 1 493 495 291 1 301 302 292 1 301 303 293 1 127 128 294 1 127 129 295 1 391 392 296 1 391 393 297 1 157 158 298 1 157 159 299 1 412 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213 19 1 206 205 207 20 1 680 679 681 21 1 299 298 300 22 1 497 496 498 23 1 188 187 189 24 1 386 385 387 25 1 431 430 432 26 1 476 475 477 27 1 578 577 579 28 1 281 280 282 29 1 116 115 117 30 1 197 196 198 31 1 242 241 243 32 1 401 400 402 33 1 563 562 564 34 1 665 664 666 35 1 638 637 639 36 1 653 652 654 37 1 257 256 258 38 1 425 424 426 39 1 467 466 468 40 1 581 580 582 41 1 353 352 354 42 1 293 292 294 43 1 575 574 576 44 1 437 436 438 45 1 701 700 702 46 1 107 106 108 47 1 377 376 378 48 1 359 358 360 49 1 290 289 291 50 1 407 406 408 51 1 524 523 525 52 1 626 625 627 53 1 137 136 138 54 1 185 184 186 55 1 314 313 315 56 1 239 238 240 57 1 404 403 405 58 1 698 697 699 59 1 383 382 384 60 1 671 670 672 61 1 395 394 396 62 1 203 202 204 63 1 347 346 348 64 1 572 571 573 65 1 590 589 591 66 1 608 607 609 67 1 275 274 276 68 1 113 112 114 69 1 344 343 345 70 1 254 253 255 71 1 110 109 111 72 1 308 307 309 73 1 686 685 687 74 1 272 271 273 75 1 482 481 483 76 1 722 721 723 77 1 209 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640 642 135 1 533 532 534 136 1 236 235 237 137 1 122 121 123 138 1 266 265 267 139 1 548 547 549 140 1 620 619 621 141 1 716 715 717 142 1 647 646 648 143 1 566 565 567 144 1 545 544 546 145 1 494 493 495 146 1 302 301 303 147 1 128 127 129 148 1 392 391 393 149 1 158 157 159 150 1 413 412 414 151 1 449 448 450 152 1 278 277 279 153 1 269 268 270 154 1 143 142 144 155 1 584 583 585 156 1 719 718 720 157 1 131 130 132 158 1 134 133 135 159 1 512 511 513 160 1 569 568 570 161 1 305 304 306 162 1 419 418 420 163 1 446 445 447 164 1 464 463 465 165 1 173 172 174 166 1 500 499 501 167 1 251 250 252 168 1 323 322 324 169 1 200 199 201 170 1 623 622 624 171 1 551 550 552 172 1 125 124 126 173 1 146 145 147 174 1 704 703 705 175 1 560 559 561 176 1 599 598 600 177 1 311 310 312 178 1 140 139 141 179 1 398 397 399 180 1 320 319 321 181 1 491 490 492 182 1 371 370 372 183 1 611 610 612 184 1 155 154 156 185 1 182 181 183 186 1 629 628 630 187 1 488 487 489 188 1 527 526 528 189 1 152 151 153 190 1 161 160 162 191 1 221 220 222 192 1 350 349 351 193 1 473 472 474 194 1 287 286 288 195 1 668 667 669 196 1 233 232 234 197 1 557 556 558 198 1 614 613 615 199 1 452 451 453 200 1 428 427 429 201 1 410 409 411 202 1 674 673 675 203 1 617 616 618 204 1 530 529 531 205 1 380 379 381 206 1 659 658 660 207 1 455 454 456 208 1 176 175 177 209 1 506 505 507 210 1 164 163 165