682 atoms 4 atom types 0 18.5356 xlo xhi 0 40.573 ylo yhi 0 10.8108 zlo zhi Masses 1 28.09 2 26.98 3 16.00 4 22.99 Atoms 1 1 2.4 2.015 35.316 0.322 2 1 2.4 2.015 35.316 5.727 3 1 2.4 4.473 39.574 0.322 4 1 2.4 4.473 39.574 5.727 5 1 2.4 2.015 26.802 0.322 6 1 2.4 2.015 26.802 5.727 7 1 2.4 4.473 31.059 0.322 8 1 2.4 4.473 31.059 5.727 9 1 2.4 6.931 35.316 0.322 10 1 2.4 6.931 35.316 5.727 11 1 2.4 9.389 39.574 0.322 12 1 2.4 9.389 39.574 5.727 13 1 2.4 2.015 18.287 0.322 14 1 2.4 2.015 18.287 5.727 15 1 2.4 4.473 22.544 0.322 16 1 2.4 4.473 22.544 5.727 17 1 2.4 6.931 26.802 0.322 18 1 2.4 6.931 26.802 5.727 19 1 2.4 9.389 31.059 0.322 20 1 2.4 9.389 31.059 5.727 21 1 2.4 11.847 35.316 0.322 22 1 2.4 11.847 35.316 5.727 23 1 2.4 14.305 39.574 0.322 24 1 2.4 14.305 39.574 5.727 25 1 2.4 2.015 9.772 0.322 26 1 2.4 2.015 9.772 5.727 27 1 2.4 4.473 14.029 0.322 28 1 2.4 4.473 14.029 5.727 29 1 2.4 6.931 18.287 0.322 30 1 2.4 6.931 18.287 5.727 31 1 2.4 9.389 22.544 0.322 32 1 2.4 9.389 22.544 5.727 33 1 2.4 11.847 26.802 0.322 34 1 2.4 11.847 26.802 5.727 35 1 2.4 14.305 31.059 0.322 36 1 2.4 14.305 31.059 5.727 37 1 2.4 16.763 35.316 0.322 38 1 2.4 16.763 35.316 5.727 39 1 2.4 2.015 1.257 0.322 40 1 2.4 2.015 1.257 5.727 41 1 2.4 4.473 5.515 0.322 42 1 2.4 4.473 5.515 5.727 43 1 2.4 6.931 9.772 0.322 44 1 2.4 6.931 9.772 5.727 45 1 2.4 9.389 14.029 0.322 46 1 2.4 9.389 14.029 5.727 47 1 2.4 11.847 18.287 0.322 48 1 2.4 11.847 18.287 5.727 49 1 2.4 14.305 22.544 0.322 50 1 2.4 14.305 22.544 5.727 51 1 2.4 16.763 26.802 0.322 52 1 2.4 16.763 26.802 5.727 53 1 2.4 6.931 1.257 0.322 54 1 2.4 6.931 1.257 5.727 55 1 2.4 9.389 5.515 0.322 56 1 2.4 9.389 5.515 5.727 57 1 2.4 11.847 9.772 0.322 58 1 2.4 11.847 9.772 5.727 59 1 2.4 14.305 14.029 0.322 60 1 2.4 14.305 14.029 5.727 61 1 2.4 16.763 18.287 0.322 62 1 2.4 16.763 18.287 5.727 63 1 2.4 11.847 1.257 0.322 64 1 2.4 11.847 1.257 5.727 65 1 2.4 14.305 5.515 0.322 66 1 2.4 14.305 5.515 5.727 67 1 2.4 16.763 9.772 0.322 68 1 2.4 16.763 9.772 5.727 69 1 2.4 16.763 1.257 0.322 70 1 2.4 16.763 1.257 5.727 71 1 2.4 2.015 39.316 3.925 72 1 2.4 2.015 39.316 9.331 73 1 2.4 2.015 30.801 3.925 74 1 2.4 2.015 30.801 9.331 75 1 2.4 4.473 35.058 3.925 76 1 2.4 4.473 35.058 9.331 77 1 2.4 6.931 39.316 3.925 78 1 2.4 6.931 39.316 9.331 79 1 2.4 2.015 22.286 3.925 80 1 2.4 2.015 22.286 9.331 81 1 2.4 4.473 26.544 3.925 82 1 2.4 4.473 26.544 9.331 83 1 2.4 6.931 30.801 3.925 84 1 2.4 6.931 30.801 9.331 85 1 2.4 9.389 35.058 3.925 86 1 2.4 9.389 35.058 9.331 87 1 2.4 11.847 39.316 3.925 88 1 2.4 11.847 39.316 9.331 89 1 2.4 2.015 13.771 3.925 90 1 2.4 2.015 13.771 9.331 91 1 2.4 4.473 18.029 3.925 92 1 2.4 4.473 18.029 9.331 93 1 2.4 6.931 22.286 3.925 94 1 2.4 6.931 22.286 9.331 95 1 2.4 9.389 26.544 3.925 96 1 2.4 9.389 26.544 9.331 97 1 2.4 11.847 30.801 3.925 98 1 2.4 11.847 30.801 9.331 99 1 2.4 14.305 35.058 3.925 100 1 2.4 14.305 35.058 9.331 101 1 2.4 16.763 39.316 3.925 102 1 2.4 16.763 39.316 9.331 103 1 2.4 2.015 5.257 3.925 104 1 2.4 2.015 5.257 9.331 105 1 2.4 4.473 9.514 3.925 106 1 2.4 4.473 9.514 9.331 107 1 2.4 6.931 13.771 3.925 108 1 2.4 6.931 13.771 9.331 109 1 2.4 9.389 18.029 3.925 110 1 2.4 9.389 18.029 9.331 111 1 2.4 11.847 22.286 3.925 112 1 2.4 11.847 22.286 9.331 113 1 2.4 14.305 26.544 3.925 114 1 2.4 14.305 26.544 9.331 115 1 2.4 16.763 30.801 3.925 116 1 2.4 16.763 30.801 9.331 117 1 2.4 4.473 0.999 3.925 118 1 2.4 4.473 0.999 9.331 119 1 2.4 6.931 5.257 3.925 120 1 2.4 6.931 5.257 9.331 121 1 2.4 9.389 9.514 3.925 122 1 2.4 9.389 9.514 9.331 123 1 2.4 11.847 13.771 3.925 124 1 2.4 11.847 13.771 9.331 125 1 2.4 14.305 18.029 3.925 126 1 2.4 14.305 18.029 9.331 127 1 2.4 16.763 22.286 3.925 128 1 2.4 16.763 22.286 9.331 129 1 2.4 9.389 0.999 3.925 130 1 2.4 9.389 0.999 9.331 131 1 2.4 11.847 5.257 3.925 132 1 2.4 11.847 5.257 9.331 133 1 2.4 14.305 9.514 3.925 134 1 2.4 14.305 9.514 9.331 135 1 2.4 16.763 13.771 3.925 136 1 2.4 16.763 13.771 9.331 137 1 2.4 14.305 0.999 3.925 138 1 2.4 14.305 0.999 9.331 139 1 2.4 16.763 5.257 3.925 140 1 2.4 16.763 5.257 9.331 141 2 1.8 0.765 33.059 2.124 142 2 1.8 0.765 33.059 7.529 143 2 1.8 3.223 37.316 2.124 144 2 1.8 3.223 37.316 7.529 145 2 1.8 0.765 24.544 2.124 146 2 1.8 0.765 24.544 7.529 147 2 1.8 3.223 28.801 2.124 148 2 1.8 3.223 28.801 7.529 149 2 1.8 5.681 33.059 2.124 150 2 1.8 5.681 33.059 7.529 151 2 1.8 8.139 37.316 2.124 152 2 1.8 8.139 37.316 7.529 153 2 1.8 0.765 16.029 2.124 154 2 1.8 0.765 16.029 7.529 155 2 1.8 3.223 20.286 2.124 156 2 1.8 3.223 20.286 7.529 157 2 1.8 5.681 24.544 2.124 158 2 1.8 5.681 24.544 7.529 159 2 1.8 8.139 28.801 2.124 160 2 1.8 8.139 28.801 7.529 161 2 1.8 10.597 33.059 2.124 162 2 1.8 10.597 33.059 7.529 163 2 1.8 13.055 37.316 2.124 164 2 1.8 13.055 37.316 7.529 165 2 1.8 0.765 7.514 2.124 166 2 1.8 0.765 7.514 7.529 167 2 1.8 3.223 11.772 2.124 168 2 1.8 3.223 11.772 7.529 169 2 1.8 5.681 16.029 2.124 170 2 1.8 5.681 16.029 7.529 171 2 1.8 8.139 20.286 2.124 172 2 1.8 8.139 20.286 7.529 173 2 1.8 10.597 24.544 2.124 174 2 1.8 10.597 24.544 7.529 175 2 1.8 13.055 28.801 2.124 176 2 1.8 13.055 28.801 7.529 177 2 1.8 15.513 33.059 2.124 178 2 1.8 15.513 33.059 7.529 179 2 1.8 17.971 37.316 2.124 180 2 1.8 17.971 37.316 7.529 181 2 1.8 3.223 3.257 2.124 182 2 1.8 3.223 3.257 7.529 183 2 1.8 5.681 7.514 2.124 184 2 1.8 5.681 7.514 7.529 185 2 1.8 8.139 11.772 2.124 186 2 1.8 8.139 11.772 7.529 187 2 1.8 10.597 16.029 2.124 188 2 1.8 10.597 16.029 7.529 189 2 1.8 13.055 20.286 2.124 190 2 1.8 13.055 20.286 7.529 191 2 1.8 15.513 24.544 2.124 192 2 1.8 15.513 24.544 7.529 193 2 1.8 17.971 28.801 2.124 194 2 1.8 17.971 28.801 7.529 195 2 1.8 8.139 3.257 2.124 196 2 1.8 8.139 3.257 7.529 197 2 1.8 10.597 7.514 2.124 198 2 1.8 10.597 7.514 7.529 199 2 1.8 13.055 11.772 2.124 200 2 1.8 13.055 11.772 7.529 201 2 1.8 15.513 16.029 2.124 202 2 1.8 15.513 16.029 7.529 203 2 1.8 17.971 20.286 2.124 204 2 1.8 17.971 20.286 7.529 205 2 1.8 13.055 3.257 2.124 206 2 1.8 13.055 3.257 7.529 207 2 1.8 15.513 7.514 2.124 208 2 1.8 15.513 7.514 7.529 209 2 1.8 17.971 11.772 2.124 210 2 1.8 17.971 11.772 7.529 211 2 1.8 17.971 3.257 2.124 212 2 1.8 17.971 3.257 7.529 213 3 -1.2 2.533 36.692 0.966 214 3 -1.2 2.533 36.692 6.371 215 3 -1.2 2.533 28.177 0.966 216 3 -1.2 2.533 28.177 6.371 217 3 -1.2 4.991 32.434 0.966 218 3 -1.2 4.991 32.434 6.371 219 3 -1.2 7.449 36.692 0.966 220 3 -1.2 7.449 36.692 6.371 221 3 -1.2 2.533 19.662 0.966 222 3 -1.2 2.533 19.662 6.371 223 3 -1.2 4.991 23.92 0.966 224 3 -1.2 4.991 23.92 6.371 225 3 -1.2 7.449 28.177 0.966 226 3 -1.2 7.449 28.177 6.371 227 3 -1.2 9.907 32.434 0.966 228 3 -1.2 9.907 32.434 6.371 229 3 -1.2 12.365 36.692 0.966 230 3 -1.2 12.365 36.692 6.371 231 3 -1.2 2.533 11.148 0.966 232 3 -1.2 2.533 11.148 6.371 233 3 -1.2 4.991 15.405 0.966 234 3 -1.2 4.991 15.405 6.371 235 3 -1.2 7.449 19.662 0.966 236 3 -1.2 7.449 19.662 6.371 237 3 -1.2 9.907 23.92 0.966 238 3 -1.2 9.907 23.92 6.371 239 3 -1.2 12.365 28.177 0.966 240 3 -1.2 12.365 28.177 6.371 241 3 -1.2 14.823 32.434 0.966 242 3 -1.2 14.823 32.434 6.371 243 3 -1.2 17.281 36.692 0.966 244 3 -1.2 17.281 36.692 6.371 245 3 -1.2 2.533 2.633 0.966 246 3 -1.2 2.533 2.633 6.371 247 3 -1.2 4.991 6.89 0.966 248 3 -1.2 4.991 6.89 6.371 249 3 -1.2 7.449 11.148 0.966 250 3 -1.2 7.449 11.148 6.371 251 3 -1.2 9.907 15.405 0.966 252 3 -1.2 9.907 15.405 6.371 253 3 -1.2 12.365 19.662 0.966 254 3 -1.2 12.365 19.662 6.371 255 3 -1.2 14.823 23.92 0.966 256 3 -1.2 14.823 23.92 6.371 257 3 -1.2 17.281 28.177 0.966 258 3 -1.2 17.281 28.177 6.371 259 3 -1.2 7.449 2.633 0.966 260 3 -1.2 7.449 2.633 6.371 261 3 -1.2 9.907 6.89 0.966 262 3 -1.2 9.907 6.89 6.371 263 3 -1.2 12.365 11.148 0.966 264 3 -1.2 12.365 11.148 6.371 265 3 -1.2 14.823 15.405 0.966 266 3 -1.2 14.823 15.405 6.371 267 3 -1.2 17.281 19.662 0.966 268 3 -1.2 17.281 19.662 6.371 269 3 -1.2 12.365 2.633 0.966 270 3 -1.2 12.365 2.633 6.371 271 3 -1.2 14.823 6.89 0.966 272 3 -1.2 14.823 6.89 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2.767 540 3 -1.2 14.231 2.121 8.173 541 3 -1.2 16.689 6.378 2.767 542 3 -1.2 16.689 6.378 8.173 543 3 -1.2 0.565 35.556 5.084 544 3 -1.2 0.565 35.556 10.489 545 3 -1.2 3.023 39.813 5.084 546 3 -1.2 3.023 39.813 10.489 547 3 -1.2 0.565 27.041 5.084 548 3 -1.2 0.565 27.041 10.489 549 3 -1.2 3.023 31.298 5.084 550 3 -1.2 3.023 31.298 10.489 551 3 -1.2 5.481 35.556 5.084 552 3 -1.2 5.481 35.556 10.489 553 3 -1.2 7.939 39.813 5.084 554 3 -1.2 7.939 39.813 10.489 555 3 -1.2 0.565 18.526 5.084 556 3 -1.2 0.565 18.526 10.489 557 3 -1.2 3.023 22.783 5.084 558 3 -1.2 3.023 22.783 10.489 559 3 -1.2 5.481 27.041 5.084 560 3 -1.2 5.481 27.041 10.489 561 3 -1.2 7.939 31.298 5.084 562 3 -1.2 7.939 31.298 10.489 563 3 -1.2 10.397 35.556 5.084 564 3 -1.2 10.397 35.556 10.489 565 3 -1.2 12.855 39.813 5.084 566 3 -1.2 12.855 39.813 10.489 567 3 -1.2 0.565 10.011 5.084 568 3 -1.2 0.565 10.011 10.489 569 3 -1.2 3.023 14.269 5.084 570 3 -1.2 3.023 14.269 10.489 571 3 -1.2 5.481 18.526 5.084 572 3 -1.2 5.481 18.526 10.489 573 3 -1.2 7.939 22.783 5.084 574 3 -1.2 7.939 22.783 10.489 575 3 -1.2 10.397 27.041 5.084 576 3 -1.2 10.397 27.041 10.489 577 3 -1.2 12.855 31.298 5.084 578 3 -1.2 12.855 31.298 10.489 579 3 -1.2 15.313 35.556 5.084 580 3 -1.2 15.313 35.556 10.489 581 3 -1.2 17.771 39.813 5.084 582 3 -1.2 17.771 39.813 10.489 583 3 -1.2 3.023 5.754 5.084 584 3 -1.2 3.023 5.754 10.489 585 3 -1.2 5.481 10.011 5.084 586 3 -1.2 5.481 10.011 10.489 587 3 -1.2 7.939 14.269 5.084 588 3 -1.2 7.939 14.269 10.489 589 3 -1.2 10.397 18.526 5.084 590 3 -1.2 10.397 18.526 10.489 591 3 -1.2 12.855 22.783 5.084 592 3 -1.2 12.855 22.783 10.489 593 3 -1.2 15.313 27.041 5.084 594 3 -1.2 15.313 27.041 10.489 595 3 -1.2 17.771 31.298 5.084 596 3 -1.2 17.771 31.298 10.489 597 3 -1.2 5.481 1.497 5.084 598 3 -1.2 5.481 1.497 10.489 599 3 -1.2 7.939 5.754 5.084 600 3 -1.2 7.939 5.754 10.489 601 3 -1.2 10.397 10.011 5.084 602 3 -1.2 10.397 10.011 10.489 603 3 -1.2 12.855 14.269 5.084 604 3 -1.2 12.855 14.269 10.489 605 3 -1.2 15.313 18.526 5.084 606 3 -1.2 15.313 18.526 10.489 607 3 -1.2 17.771 22.783 5.084 608 3 -1.2 17.771 22.783 10.489 609 3 -1.2 10.397 1.497 5.084 610 3 -1.2 10.397 1.497 10.489 611 3 -1.2 12.855 5.754 5.084 612 3 -1.2 12.855 5.754 10.489 613 3 -1.2 15.313 10.011 5.084 614 3 -1.2 15.313 10.011 10.489 615 3 -1.2 17.771 14.269 5.084 616 3 -1.2 17.771 14.269 10.489 617 3 -1.2 15.313 1.497 5.084 618 3 -1.2 15.313 1.497 10.489 619 3 -1.2 17.771 5.754 5.084 620 3 -1.2 17.771 5.754 10.489 621 4 0.6 2.618 33.059 2.124 622 4 0.6 2.618 33.059 7.529 623 4 0.6 5.076 37.316 2.124 624 4 0.6 5.076 37.316 7.529 625 4 0.6 2.618 24.544 2.124 626 4 0.6 2.618 24.544 7.529 627 4 0.6 5.076 28.801 2.124 628 4 0.6 5.076 28.801 7.529 629 4 0.6 7.534 33.059 2.124 630 4 0.6 7.534 33.059 7.529 631 4 0.6 9.992 37.316 2.124 632 4 0.6 9.992 37.316 7.529 633 4 0.6 2.618 16.029 2.124 634 4 0.6 2.618 16.029 7.529 635 4 0.6 5.076 20.286 2.124 636 4 0.6 5.076 20.286 7.529 637 4 0.6 7.534 24.544 2.124 638 4 0.6 7.534 24.544 7.529 639 4 0.6 9.992 28.801 2.124 640 4 0.6 9.992 28.801 7.529 641 4 0.6 12.45 33.059 2.124 642 4 0.6 12.45 33.059 7.529 643 4 0.6 14.908 37.316 2.124 644 4 0.6 14.908 37.316 7.529 645 4 0.6 2.618 7.514 2.124 646 4 0.6 2.618 7.514 7.529 647 4 0.6 5.076 11.772 2.124 648 4 0.6 5.076 11.772 7.529 649 4 0.6 7.534 16.029 2.124 650 4 0.6 7.534 16.029 7.529 651 4 0.6 9.992 20.286 2.124 652 4 0.6 9.992 20.286 7.529 653 4 0.6 12.45 24.544 2.124 654 4 0.6 12.45 24.544 7.529 655 4 0.6 14.908 28.801 2.124 656 4 0.6 14.908 28.801 7.529 657 4 0.6 17.366 33.059 2.124 658 4 0.6 17.366 33.059 7.529 659 4 0.6 5.076 3.257 2.124 660 4 0.6 5.076 3.257 7.529 661 4 0.6 7.534 7.514 2.124 662 4 0.6 7.534 7.514 7.529 663 4 0.6 9.992 11.772 2.124 664 4 0.6 9.992 11.772 7.529 665 4 0.6 12.45 16.029 2.124 666 4 0.6 12.45 16.029 7.529 667 4 0.6 14.908 20.286 2.124 668 4 0.6 14.908 20.286 7.529 669 4 0.6 17.366 24.544 2.124 670 4 0.6 17.366 24.544 7.529 671 4 0.6 9.992 3.257 2.124 672 4 0.6 9.992 3.257 7.529 673 4 0.6 12.45 7.514 2.124 674 4 0.6 12.45 7.514 7.529 675 4 0.6 14.908 11.772 2.124 676 4 0.6 14.908 11.772 7.529 677 4 0.6 17.366 16.029 2.124 678 4 0.6 17.366 16.029 7.529 679 4 0.6 14.908 3.257 2.124 680 4 0.6 14.908 3.257 7.529 681 4 0.6 17.366 7.514 2.124 682 4 0.6 17.366 7.514 7.529