LAMMPS data file via write_data, version 7 Feb 2024, timestep = 100000, units = real 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 0.01313937832121366 0 0 2.4018 0 0 0 50 25 2 0.01865462761144026 1.4708 2.5475 2.4018 0 0 0 51 26 2 0.01215067828938248 0 5.0949 2.4018 0 0 0 57 29 2 -0.003610807073483032 2.9416 0 2.4018 0 0 0 58 29 2 0.005703013773218414 4.4124 2.5475 2.4018 0 0 0 59 30 2 0.01492950075159763 2.9416 5.0949 2.4018 0 0 0 170 73 4 0.4238 1.1970063131417725 4.448138656468396 5.466951657599895 0 0 0 65 33 2 -0.01336008416568608 5.8832 0 2.4018 0 0 0 66 33 2 0.008131464922511046 7.354000000000001 2.5475 2.4018 0 0 0 67 34 2 0.006428627158081519 5.8832 5.0949 2.4018 0 0 0 73 37 2 0.01530290922280649 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213 1 304 305 214 1 304 306 215 1 724 725 216 1 724 726 217 1 397 398 218 1 397 399 219 1 283 284 220 1 283 285 221 1 163 164 222 1 163 165 223 1 685 686 224 1 685 687 225 1 649 650 226 1 649 651 227 1 586 587 228 1 586 588 229 1 214 215 230 1 214 216 231 1 190 191 232 1 190 192 233 1 538 539 234 1 538 540 235 1 262 263 236 1 262 264 237 1 442 443 238 1 442 444 239 1 613 614 240 1 613 615 241 1 238 239 242 1 238 240 243 1 436 437 244 1 436 438 245 1 718 719 246 1 718 720 247 1 118 119 248 1 118 120 249 1 301 302 250 1 301 303 251 1 379 380 252 1 379 381 253 1 439 440 254 1 439 441 255 1 241 242 256 1 241 243 257 1 142 143 258 1 142 144 259 1 472 473 260 1 472 474 261 1 505 506 262 1 505 507 263 1 364 365 264 1 364 366 265 1 658 659 266 1 658 660 267 1 703 704 268 1 703 705 269 1 358 359 270 1 358 360 271 1 556 557 272 1 556 558 273 1 451 452 274 1 451 453 275 1 469 470 276 1 469 471 277 1 247 248 278 1 247 249 279 1 361 362 280 1 361 363 281 1 490 491 282 1 490 492 283 1 292 293 284 1 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527 356 1 526 528 357 1 352 353 358 1 352 354 359 1 226 227 360 1 226 228 361 1 550 551 362 1 550 552 363 1 523 524 364 1 523 525 365 1 517 518 366 1 517 519 367 1 508 509 368 1 508 510 369 1 625 626 370 1 625 627 371 1 250 251 372 1 250 252 373 1 130 131 374 1 130 132 375 1 202 203 376 1 202 204 377 1 541 542 378 1 541 543 379 1 391 392 380 1 391 393 381 1 601 602 382 1 601 603 383 1 178 179 384 1 178 180 385 1 235 236 386 1 235 237 387 1 664 665 388 1 664 666 389 1 415 416 390 1 415 417 391 1 565 566 392 1 565 567 393 1 595 596 394 1 595 597 395 1 328 329 396 1 328 330 397 1 619 620 398 1 619 621 399 1 376 377 400 1 376 378 401 1 340 341 402 1 340 342 403 1 409 410 404 1 409 411 405 1 676 677 406 1 676 678 407 1 631 632 408 1 631 633 409 1 400 401 410 1 400 402 411 1 487 488 412 1 487 489 413 1 160 161 414 1 160 162 415 1 412 413 416 1 412 414 417 1 553 554 418 1 553 555 419 1 145 146 420 1 145 147 Angles 1 1 656 655 657 2 1 122 121 123 3 1 692 691 693 4 1 212 211 213 5 1 530 529 531 6 1 548 547 549 7 1 338 337 339 8 1 683 682 684 9 1 458 457 459 10 1 347 346 348 11 1 560 559 561 12 1 476 475 477 13 1 446 445 447 14 1 134 133 135 15 1 170 169 171 16 1 383 382 384 17 1 188 187 189 18 1 497 496 498 19 1 101 100 102 20 1 320 319 321 21 1 218 217 219 22 1 674 673 675 23 1 314 313 315 24 1 422 421 423 25 1 311 310 312 26 1 590 589 591 27 1 461 460 462 28 1 500 499 501 29 1 278 277 279 30 1 371 370 372 31 1 155 154 156 32 1 317 316 318 33 1 275 274 276 34 1 254 253 255 35 1 407 406 408 36 1 296 295 297 37 1 152 151 153 38 1 344 343 345 39 1 695 694 696 40 1 266 265 267 41 1 107 106 108 42 1 428 427 429 43 1 563 562 564 44 1 104 103 105 45 1 233 232 234 46 1 569 568 570 47 1 536 535 537 48 1 713 712 714 49 1 449 448 450 50 1 404 403 405 51 1 176 175 177 52 1 668 667 669 53 1 485 484 486 54 1 515 514 516 55 1 479 478 480 56 1 374 373 375 57 1 128 127 129 58 1 671 670 672 59 1 716 715 717 60 1 689 688 690 61 1 605 604 606 62 1 110 109 111 63 1 206 205 207 64 1 113 112 114 65 1 125 124 126 66 1 617 616 618 67 1 575 574 576 68 1 425 424 426 69 1 710 709 711 70 1 467 466 468 71 1 533 532 534 72 1 512 511 513 73 1 197 196 198 74 1 350 349 351 75 1 623 622 624 76 1 644 643 645 77 1 584 583 585 78 1 173 172 174 79 1 503 502 504 80 1 386 385 387 81 1 260 259 261 82 1 611 610 612 83 1 368 367 369 84 1 578 577 579 85 1 98 97 99 86 1 167 166 168 87 1 395 394 396 88 1 434 433 435 89 1 356 355 357 90 1 653 652 654 91 1 245 244 246 92 1 698 697 699 93 1 593 592 594 94 1 209 208 210 95 1 641 640 642 96 1 137 136 138 97 1 140 139 141 98 1 287 286 288 99 1 224 223 225 100 1 257 256 258 101 1 389 388 390 102 1 629 628 630 103 1 662 661 663 104 1 158 157 159 105 1 332 331 333 106 1 419 418 420 107 1 305 304 306 108 1 725 724 726 109 1 398 397 399 110 1 284 283 285 111 1 164 163 165 112 1 686 685 687 113 1 650 649 651 114 1 587 586 588 115 1 215 214 216 116 1 191 190 192 117 1 539 538 540 118 1 263 262 264 119 1 443 442 444 120 1 614 613 615 121 1 239 238 240 122 1 437 436 438 123 1 719 718 720 124 1 119 118 120 125 1 302 301 303 126 1 380 379 381 127 1 440 439 441 128 1 242 241 243 129 1 143 142 144 130 1 473 472 474 131 1 506 505 507 132 1 365 364 366 133 1 659 658 660 134 1 704 703 705 135 1 359 358 360 136 1 557 556 558 137 1 452 451 453 138 1 470 469 471 139 1 248 247 249 140 1 362 361 363 141 1 491 490 492 142 1 293 292 294 143 1 647 646 648 144 1 290 289 291 145 1 635 634 636 146 1 326 325 327 147 1 149 148 150 148 1 707 706 708 149 1 482 481 483 150 1 308 307 309 151 1 230 229 231 152 1 494 493 495 153 1 464 463 465 154 1 269 268 270 155 1 299 298 300 156 1 335 334 336 157 1 680 679 681 158 1 455 454 456 159 1 272 271 273 160 1 281 280 282 161 1 701 700 702 162 1 581 580 582 163 1 572 571 573 164 1 185 184 186 165 1 722 721 723 166 1 608 607 609 167 1 638 637 639 168 1 221 220 222 169 1 194 193 195 170 1 431 430 432 171 1 545 544 546 172 1 116 115 117 173 1 200 199 201 174 1 599 598 600 175 1 323 322 324 176 1 521 520 522 177 1 182 181 183 178 1 527 526 528 179 1 353 352 354 180 1 227 226 228 181 1 551 550 552 182 1 524 523 525 183 1 518 517 519 184 1 509 508 510 185 1 626 625 627 186 1 251 250 252 187 1 131 130 132 188 1 203 202 204 189 1 542 541 543 190 1 392 391 393 191 1 602 601 603 192 1 179 178 180 193 1 236 235 237 194 1 665 664 666 195 1 416 415 417 196 1 566 565 567 197 1 596 595 597 198 1 329 328 330 199 1 620 619 621 200 1 377 376 378 201 1 341 340 342 202 1 410 409 411 203 1 677 676 678 204 1 632 631 633 205 1 401 400 402 206 1 488 487 489 207 1 161 160 162 208 1 413 412 414 209 1 554 553 555 210 1 146 145 147