Number of particles = 1036 A = 1 Angstrom (basic length-scale) H0(1,1) = 29.0112 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 116.341 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61503 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 63.546000 Cu 0.0481188 0.0131141 1.23325e-16 549 63.546 1.00711 -3.32578 63.546000 Cu 0.112228 0.027522 3.68536e-16 550 63.546 0.0635744 -3.4386 63.546000 Cu 0.101956 0.00995079 0.5 551 63.546 0.508101 -3.46241 63.546000 Cu 0.0549666 0.0297415 0.5 552 63.546 0.238368 -3.45654 63.546000 Cu 0.161645 0.00931327 2.45691e-16 553 63.546 0.214123 -3.5424 63.546000 Cu 0.228608 0.0247111 2.01303e-16 554 63.546 0.130263 -3.52552 63.546000 Cu 0.223251 0.00894889 0.5 555 63.546 0.0867077 -3.53127 63.546000 Cu 0.168944 0.0257016 0.5 556 63.546 0.107711 -3.51338 63.546000 Cu 0.0599553 0.0456273 1.23685e-16 581 63.546 0.029961 -3.51415 63.546000 Cu 0.119678 0.043947 0.5 583 63.546 0.0534702 -3.48059 63.546000 Cu 0.178016 0.0421074 2.45811e-16 585 63.546 0.0356105 -3.4932 63.546000 Cu 0.237374 0.0403693 0.5 587 63.546 0.0732024 -3.52151 63.546000 Cu 0.284959 0.00869626 5.09016e-16 557 63.546 0.146824 -3.49821 63.546000 Cu 0.356053 0.0221511 7.62865e-16 558 63.546 0.0482186 -3.50963 63.546000 Cu 0.347312 0.00822836 0.5 559 63.546 0.426165 -3.39765 63.546000 Cu 0.290695 0.0237809 0.5 560 63.546 0.152736 -3.49583 63.546000 Cu 0.415935 0.00600901 1.36366e-15 561 63.546 4.34483 -3.33663 63.546000 Cu 0.487858 0.0172141 3.57019e-16 562 63.546 1.07132 -3.34888 63.546000 Cu 0.477423 0.00325824 0.5 563 63.546 9.09813 -3.04668 63.546000 Cu 0.42082 0.0201797 0.5 564 63.546 0.0579911 -3.46379 63.546000 Cu 0.299661 0.0385572 3.08193e-16 589 63.546 0.0456707 -3.54045 63.546000 Cu 0.372165 0.0514003 1.80789e-16 590 63.546 0.020908 -3.55557 63.546000 Cu 0.363584 0.0366389 0.5 591 63.546 0.0208926 -3.53388 63.546000 Cu 0.428963 0.0344091 3.50901e-16 593 63.546 0.0365097 -3.53289 63.546000 Cu 0.498601 0.0473258 3.1899e-16 594 63.546 0.0290198 -3.54854 63.546000 Cu 0.49316 0.0320047 0.5 595 63.546 0.128663 -3.53215 63.546000 Cu 0.435673 0.0492679 0.5 596 63.546 0.0336137 -3.55984 63.546000 Cu 0.601956 0.00995079 1.17087e-16 524 63.546 0.508101 -3.46241 63.546000 Cu 0.548119 0.0131141 0.5 525 63.546 1.00711 -3.32578 63.546000 Cu 0.723251 0.00894889 7.17398e-17 526 63.546 0.0867077 -3.53127 63.546000 Cu 0.661645 0.00931327 0.5 527 63.546 0.214123 -3.5424 63.546000 Cu 0.554967 0.0297415 1.34962e-16 533 63.546 0.238368 -3.45654 63.546000 Cu 0.619678 0.043947 2.1378e-16 534 63.546 0.0534702 -3.48059 63.546000 Cu 0.612228 0.027522 0.5 535 63.546 0.0635744 -3.4386 63.546000 Cu 0.559955 0.0456273 0.5 536 63.546 0.029961 -3.51415 63.546000 Cu 0.668944 0.0257016 1.96744e-16 537 63.546 0.107711 -3.51338 63.546000 Cu 0.737374 0.0403693 4.79865e-19 538 63.546 0.0732024 -3.52151 63.546000 Cu 0.728608 0.0247111 0.5 539 63.546 0.130263 -3.52552 63.546000 Cu 0.678016 0.0421074 0.5 540 63.546 0.0356105 -3.4932 63.546000 Cu 0.847312 0.00822836 2.86959e-16 528 63.546 0.426165 -3.39765 63.546000 Cu 0.784959 0.00869626 0.5 529 63.546 0.146824 -3.49821 63.546000 Cu 0.977423 0.00325824 1.43959e-16 530 63.546 9.09813 -3.04668 63.546000 Cu 0.915935 0.00600901 0.5 531 63.546 4.34483 -3.33663 63.546000 Cu 0.790695 0.0237809 2.45451e-16 541 63.546 0.152736 -3.49583 63.546000 Cu 0.863584 0.0366389 2.8312e-16 542 63.546 0.0208926 -3.53388 63.546000 Cu 0.856053 0.0221511 0.5 543 63.546 0.0482186 -3.50963 63.546000 Cu 0.799661 0.0385572 0.5 544 63.546 0.0456707 -3.54045 63.546000 Cu 0.92082 0.0201797 3.34106e-16 545 63.546 0.0579911 -3.46379 63.546000 Cu 0.99316 0.0320047 4.84663e-17 546 63.546 0.128663 -3.53215 63.546000 Cu 0.987858 0.0172141 0.5 547 63.546 1.07132 -3.34888 63.546000 Cu 0.928963 0.0344091 0.5 548 63.546 0.0365097 -3.53289 63.546000 Cu 0.872165 0.0514003 0.5 575 63.546 0.020908 -3.55557 63.546000 Cu 0.935673 0.0492679 2.27336e-16 577 63.546 0.0336137 -3.55984 63.546000 Cu 0.998601 0.0473258 0.5 579 63.546 0.0290198 -3.54854 63.546000 Cu 0.00427907 0.0628427 3.26788e-16 578 63.546 0.00582047 -3.54347 63.546000 Cu 0.126345 0.0597014 2.22657e-16 582 63.546 0.0224422 -3.50723 63.546000 Cu 0.0655764 0.0612833 0.5 584 63.546 0.00409511 -3.52531 63.546000 Cu 0.247344 0.0557903 1.99744e-16 586 63.546 0.0123953 -3.52539 63.546000 Cu 0.186729 0.0578969 0.5 588 63.546 0.0298731 -3.50204 63.546000 Cu 0.0179416 0.0939539 3.59179e-16 610 63.546 0.00205387 -3.53248 63.546000 Cu 0.0107636 0.078412 0.5 611 63.546 0.0023545 -3.53645 63.546000 Cu 0.072033 0.0767944 9.02145e-17 613 63.546 0.00443056 -3.52828 63.546000 Cu 0.141003 0.0903962 3.35425e-16 614 63.546 0.00298028 -3.52971 63.546000 Cu 0.133445 0.0751232 0.5 615 63.546 0.00925507 -3.52033 63.546000 Cu 0.0792847 0.0922094 0.5 616 63.546 0.00380779 -3.53069 63.546000 Cu 0.195 0.0732351 2.46051e-16 617 63.546 0.00989897 -3.51831 63.546000 Cu 0.202994 0.0884397 0.5 620 63.546 0.00158121 -3.52999 63.546000 Cu 0.210825 0.103657 4.90781e-16 651 63.546 0.000368744 -3.53642 63.546000 Cu 0.309044 0.0536023 0.5 592 63.546 0.0123637 -3.54514 63.546000 Cu 0.26499 0.0863308 9.48932e-17 618 63.546 0.00245554 -3.53319 63.546000 Cu 0.256583 0.0710893 0.5 619 63.546 0.00343471 -3.52706 63.546000 Cu 0.31833 0.0688067 2.20498e-16 621 63.546 0.00411782 -3.54318 63.546000 Cu 0.38824 0.0820492 1.23565e-16 622 63.546 0.0056127 -3.54393 63.546000 Cu 0.380364 0.0665915 0.5 623 63.546 0.0144689 -3.55436 63.546000 Cu 0.326753 0.084153 0.5 624 63.546 0.00444586 -3.53929 63.546000 Cu 0.442494 0.0645849 1.14088e-16 625 63.546 0.0162292 -3.55459 63.546000 Cu 0.44954 0.0801324 0.5 628 63.546 0.00406858 -3.54277 63.546000 Cu 0.272804 0.101615 0.5 653 63.546 0.00186406 -3.53704 63.546000 Cu 0.334497 0.0995728 2.34174e-16 655 63.546 0.00281414 -3.53687 63.546000 Cu 0.395802 0.0975963 0.5 657 63.546 0.00144253 -3.53599 63.546000 Cu 0.456863 0.0957268 3.1839e-16 659 63.546 0.000529735 -3.53446 63.546000 Cu 0.565576 0.0612833 3.73335e-16 565 63.546 0.00409511 -3.52531 63.546000 Cu 0.633445 0.0751232 2.52889e-16 566 63.546 0.00925507 -3.52033 63.546000 Cu 0.626345 0.0597014 0.5 567 63.546 0.0224422 -3.50723 63.546000 Cu 0.572033 0.0767944 0.5 568 63.546 0.00443056 -3.52828 63.546000 Cu 0.686729 0.0578969 3.68176e-16 569 63.546 0.0298731 -3.50204 63.546000 Cu 0.747344 0.0557903 0.5 571 63.546 0.0123953 -3.52539 63.546000 Cu 0.695 0.0732351 0.5 572 63.546 0.00989897 -3.51831 63.546000 Cu 0.579285 0.0922094 1.51637e-16 597 63.546 0.00380779 -3.53069 63.546000 Cu 0.641003 0.0903962 0.5 599 63.546 0.00298028 -3.52971 63.546000 Cu 0.702994 0.0884397 1.23925e-16 601 63.546 0.00158121 -3.52999 63.546000 Cu 0.710825 0.103657 0.5 604 63.546 0.000368744 -3.53642 63.546000 Cu 0.510764 0.078412 4.52272e-17 626 63.546 0.0023545 -3.53645 63.546000 Cu 0.504279 0.0628427 0.5 627 63.546 0.00582047 -3.54347 63.546000 Cu 0.517942 0.0939539 0.5 661 63.546 0.00205387 -3.53248 63.546000 Cu 0.756583 0.0710893 1.23085e-16 570 63.546 0.00343471 -3.52706 63.546000 Cu 0.809044 0.0536023 2.58767e-16 573 63.546 0.0123637 -3.54514 63.546000 Cu 0.880364 0.0665915 2.04662e-16 574 63.546 0.0144689 -3.55436 63.546000 Cu 0.81833 0.0688067 0.5 576 63.546 0.00411782 -3.54318 63.546000 Cu 0.942494 0.0645849 0.5 580 63.546 0.0162292 -3.55459 63.546000 Cu 0.772804 0.101615 1.83908e-16 602 63.546 0.00186406 -3.53704 63.546000 Cu 0.76499 0.0863308 0.5 603 63.546 0.00245554 -3.53319 63.546000 Cu 0.826753 0.084153 1.96505e-16 605 63.546 0.00444586 -3.53929 63.546000 Cu 0.895802 0.0975963 2.17019e-16 606 63.546 0.00144253 -3.53599 63.546000 Cu 0.88824 0.0820492 0.5 607 63.546 0.0056127 -3.54393 63.546000 Cu 0.834497 0.0995728 0.5 608 63.546 0.00281414 -3.53687 63.546000 Cu 0.94954 0.0801324 2.68844e-16 609 63.546 0.00406858 -3.54277 63.546000 Cu 0.956863 0.0957268 0.5 612 63.546 0.000529735 -3.53446 63.546000 Cu 0.033322 0.124849 2.45331e-16 644 63.546 0.000753487 -3.53216 63.546000 Cu 0.0255458 0.109433 0.5 645 63.546 0.00150763 -3.53159 63.546000 Cu 0.0870108 0.10757 1.86307e-16 647 63.546 0.00169283 -3.53311 63.546000 Cu 0.156668 0.120937 2.19898e-16 648 63.546 0.000191845 -3.53698 63.546000 Cu 0.148807 0.105649 0.5 649 63.546 0.000681712 -3.53498 63.546000 Cu 0.0949038 0.122911 0.5 650 63.546 0.000361662 -3.53447 63.546000 Cu 0.218534 0.118944 0.5 654 63.546 0.00061126 -3.53838 63.546000 Cu 0.0489407 0.155584 1.37121e-16 678 63.546 2.00558e-05 -3.5344 63.546000 Cu 0.0411385 0.140223 0.5 679 63.546 0.000176912 -3.53316 63.546000 Cu 0.102777 0.138255 1.97824e-16 681 63.546 3.7491e-05 -3.53514 63.546000 Cu 0.172191 0.151653 1 682 63.546 0.000240561 -3.53667 63.546000 Cu 0.164478 0.136274 0.5 683 63.546 0.00024168 -3.53719 63.546000 Cu 0.110575 0.153618 0.5 684 63.546 9.12362e-05 -3.53564 63.546000 Cu 0.226177 0.134303 2.8324e-16 685 63.546 0.000562646 -3.53801 63.546000 Cu 0.23376 0.149711 0.5 688 63.546 0.000269419 -3.53672 63.546000 Cu 0.280335 0.116964 2.93677e-16 652 63.546 0.00112652 -3.5378 63.546000 Cu 0.403212 0.113129 1.36042e-16 656 63.546 0.00029755 -3.53277 63.546000 Cu 0.341915 0.115023 0.5 658 63.546 0.000940452 -3.53545 63.546000 Cu 0.46435 0.111273 0.5 662 63.546 0.000482781 -3.53135 63.546000 Cu 0.295252 0.147806 2.66565e-16 686 63.546 8.37413e-05 -3.53567 63.546000 Cu 0.287788 0.13237 0.5 687 63.546 0.000469838 -3.53702 63.546000 Cu 0.349268 0.13048 1.23685e-16 689 63.546 0.000122926 -3.53467 63.546000 Cu 0.418112 0.144056 1.23445e-16 690 63.546 0.000333033 -3.53272 63.546000 Cu 0.410618 0.128616 0.5 691 63.546 0.000219579 -3.5323 63.546000 Cu 0.356685 0.14593 0.5 692 63.546 6.8304e-05 -3.53407 63.546000 Cu 0.471929 0.126747 2.1174e-16 693 63.546 0.000668025 -3.53126 63.546000 Cu 0.479588 0.142158 0.5 694 63.546 0.000407399 -3.53225 63.546000 Cu 0.487315 0.157533 2.32614e-16 725 63.546 8.39426e-05 -3.53362 63.546000 Cu 0.648807 0.105649 1.75271e-16 598 63.546 0.000681712 -3.53498 63.546000 Cu 0.587011 0.10757 0.5 600 63.546 0.00169283 -3.53311 63.546000 Cu 0.541139 0.140223 2.67285e-16 629 63.546 0.000176912 -3.53316 63.546000 Cu 0.533322 0.124849 0.5 630 63.546 0.000753487 -3.53216 63.546000 Cu 0.594904 0.122911 1.30523e-16 631 63.546 0.000361662 -3.53447 63.546000 Cu 0.664478 0.136274 3.14311e-17 632 63.546 0.00024168 -3.53719 63.546000 Cu 0.656668 0.120937 0.5 633 63.546 0.000191845 -3.53698 63.546000 Cu 0.602777 0.138255 0.5 634 63.546 3.7491e-05 -3.53514 63.546000 Cu 0.718534 0.118944 1.23565e-16 635 63.546 0.00061126 -3.53838 63.546000 Cu 0.726177 0.134303 0.5 638 63.546 0.000562646 -3.53801 63.546000 Cu 0.525546 0.109433 1.23325e-16 660 63.546 0.00150763 -3.53159 63.546000 Cu 0.548941 0.155584 0.5 664 63.546 2.00558e-05 -3.5344 63.546000 Cu 0.610575 0.153618 1.83308e-16 665 63.546 9.12362e-05 -3.53564 63.546000 Cu 0.672191 0.151653 0.5 667 63.546 0.000240561 -3.53667 63.546000 Cu 0.73376 0.149711 2.4953e-17 669 63.546 0.000269419 -3.53672 63.546000 Cu 0.787788 0.13237 2.08621e-16 636 63.546 0.000469838 -3.53702 63.546000 Cu 0.780335 0.116964 0.5 637 63.546 0.00112652 -3.5378 63.546000 Cu 0.841915 0.115023 1.23085e-16 639 63.546 0.000940452 -3.53545 63.546000 Cu 0.910618 0.128616 1.72751e-16 640 63.546 0.000219579 -3.5323 63.546000 Cu 0.903212 0.113129 0.5 641 63.546 0.00029755 -3.53277 63.546000 Cu 0.849268 0.13048 0.5 642 63.546 0.000122926 -3.53467 63.546000 Cu 0.96435 0.111273 3.67936e-16 643 63.546 0.000482781 -3.53135 63.546000 Cu 0.971929 0.126747 0.5 646 63.546 0.000668025 -3.53126 63.546000 Cu 0.795252 0.147806 0.5 671 63.546 8.37413e-05 -3.53567 63.546000 Cu 0.856685 0.14593 2.45811e-16 673 63.546 6.8304e-05 -3.53407 63.546000 Cu 0.918112 0.144056 0.5 675 63.546 0.000333033 -3.53272 63.546000 Cu 0.979588 0.142158 2.75922e-16 677 63.546 0.000407399 -3.53225 63.546000 Cu 0.987315 0.157533 0.5 680 63.546 8.39426e-05 -3.53362 63.546000 Cu 0.0643539 0.186347 3.10712e-17 710 63.546 4.44769e-05 -3.53567 63.546000 Cu 0.0566839 0.170956 0.5 711 63.546 4.75208e-05 -3.53506 63.546000 Cu 0.00277927 0.188287 0.5 712 63.546 3.67568e-05 -3.53517 63.546000 Cu 0.118285 0.169006 2.45811e-16 713 63.546 9.87105e-05 -3.53561 63.546000 Cu 0.187447 0.182486 1.16847e-16 714 63.546 2.71214e-05 -3.53521 63.546000 Cu 0.179833 0.167063 0.5 715 63.546 0.000116917 -3.53567 63.546000 Cu 0.125924 0.18441 0.5 716 63.546 4.69166e-05 -3.53571 63.546000 Cu 0.241316 0.165143 2.45571e-16 717 63.546 5.44706e-05 -3.53522 63.546000 Cu 0.24892 0.180577 0.5 720 63.546 2.56307e-05 -3.53454 63.546000 Cu 0.0105062 0.203695 3.59898e-19 741 63.546 1.1711e-05 -3.53574 63.546000 Cu 0.072038 0.201759 0.5 743 63.546 3.00302e-05 -3.53591 63.546000 Cu 0.133572 0.199829 1.22845e-16 745 63.546 3.33831e-05 -3.53558 63.546000 Cu 0.195086 0.19791 0.5 747 63.546 2.68859e-05 -3.53485 63.546000 Cu 0.31038 0.178675 3.59898e-19 718 63.546 0.000107372 -3.53404 63.546000 Cu 0.302763 0.163247 0.5 719 63.546 4.89192e-05 -3.53451 63.546000 Cu 0.364219 0.161359 2.45451e-16 721 63.546 0.000184458 -3.53385 63.546000 Cu 0.433449 0.174841 6.97003e-17 722 63.546 4.39406e-05 -3.534 63.546000 Cu 0.425732 0.159458 0.5 723 63.546 0.000208515 -3.53349 63.546000 Cu 0.371886 0.176766 0.5 724 63.546 0.000119575 -3.5339 63.546000 Cu 0.495059 0.172903 0.5 726 63.546 1.10614e-05 -3.53445 63.546000 Cu 0.256601 0.196 1.58235e-16 749 63.546 3.59132e-05 -3.53423 63.546000 Cu 0.325883 0.209486 5.89034e-17 750 63.546 3.16362e-06 -3.53434 63.546000 Cu 0.318114 0.194086 0.5 751 63.546 3.8184e-05 -3.53401 63.546000 Cu 0.379654 0.19216 2.36573e-16 753 63.546 9.78281e-06 -3.53418 63.546000 Cu 0.448969 0.205629 7.19797e-19 754 63.546 7.28369e-06 -3.53543 63.546000 Cu 0.441208 0.190226 0.5 755 63.546 1.73163e-05 -3.53456 63.546000 Cu 0.387433 0.20756 0.5 756 63.546 8.16391e-06 -3.53488 63.546000 Cu 0.556684 0.170956 2.15219e-16 663 63.546 4.75208e-05 -3.53506 63.546000 Cu 0.679833 0.167063 1.7851e-16 666 63.546 0.000116917 -3.53567 63.546000 Cu 0.618285 0.169006 0.5 668 63.546 9.87105e-05 -3.53561 63.546000 Cu 0.741316 0.165143 0.5 672 63.546 5.44706e-05 -3.53522 63.546000 Cu 0.572038 0.201759 3.59898e-19 695 63.546 3.00302e-05 -3.53591 63.546000 Cu 0.564354 0.186347 0.5 696 63.546 4.44769e-05 -3.53567 63.546000 Cu 0.625924 0.18441 1.32083e-16 697 63.546 4.69166e-05 -3.53571 63.546000 Cu 0.695086 0.19791 1.22845e-16 698 63.546 2.68859e-05 -3.53485 63.546000 Cu 0.687447 0.182486 0.5 699 63.546 2.71214e-05 -3.53521 63.546000 Cu 0.633572 0.199829 0.5 700 63.546 3.33831e-05 -3.53558 63.546000 Cu 0.74892 0.180577 1.16007e-16 701 63.546 2.56307e-05 -3.53454 63.546000 Cu 0.502779 0.188287 6.0103e-17 757 63.546 3.67568e-05 -3.53517 63.546000 Cu 0.510506 0.203695 0.5 758 63.546 1.1711e-05 -3.53574 63.546000 Cu 0.802763 0.163247 5.57843e-17 670 63.546 4.89192e-05 -3.53451 63.546000 Cu 0.925732 0.159458 1.22845e-16 674 63.546 0.000208515 -3.53349 63.546000 Cu 0.864219 0.161359 0.5 676 63.546 0.000184458 -3.53385 63.546000 Cu 0.818114 0.194086 1.22006e-16 702 63.546 3.8184e-05 -3.53401 63.546000 Cu 0.81038 0.178675 0.5 703 63.546 0.000107372 -3.53404 63.546000 Cu 0.756601 0.196 0.5 704 63.546 3.59132e-05 -3.53423 63.546000 Cu 0.871886 0.176766 1.43959e-18 705 63.546 0.000119575 -3.5339 63.546000 Cu 0.941208 0.190226 1.23565e-16 706 63.546 1.73163e-05 -3.53456 63.546000 Cu 0.933449 0.174841 0.5 707 63.546 4.39406e-05 -3.534 63.546000 Cu 0.879654 0.19216 0.5 708 63.546 9.78281e-06 -3.53418 63.546000 Cu 0.995059 0.172903 2.45571e-16 709 63.546 1.10614e-05 -3.53445 63.546000 Cu 0.825883 0.209486 0.5 735 63.546 3.16362e-06 -3.53434 63.546000 Cu 0.887433 0.20756 1.22845e-16 737 63.546 8.16391e-06 -3.53488 63.546000 Cu 0.948969 0.205629 0.5 739 63.546 7.28369e-06 -3.53543 63.546000 Cu 0.0798012 0.217179 2.45451e-16 742 63.546 5.14919e-06 -3.53532 63.546000 Cu 0.0182711 0.219111 0.5 744 63.546 2.62316e-06 -3.5355 63.546000 Cu 0.202814 0.213327 1.12168e-16 746 63.546 3.62981e-05 -3.53432 63.546000 Cu 0.14131 0.21525 0.5 748 63.546 1.8034e-05 -3.53487 63.546000 Cu 0.0260566 0.234529 2.45451e-16 775 63.546 3.53787e-06 -3.53552 63.546000 Cu 0.0954216 0.248017 3.8797e-16 776 63.546 1.09603e-05 -3.53505 63.546000 Cu 0.0876012 0.232599 0.5 777 63.546 3.59881e-06 -3.53533 63.546000 Cu 0.0338683 0.24995 0.5 778 63.546 2.46009e-05 -3.53531 63.546000 Cu 0.149123 0.230669 1.0749e-16 779 63.546 5.337e-06 -3.53489 63.546000 Cu 0.218497 0.244156 3.1791e-17 780 63.546 6.0817e-06 -3.5346 63.546000 Cu 0.210642 0.228741 0.5 781 63.546 4.34999e-06 -3.53447 63.546000 Cu 0.15697 0.246084 0.5 782 63.546 2.98351e-06 -3.53479 63.546000 Cu 0.164838 0.261498 2.01183e-16 813 63.546 1.50894e-05 -3.53451 63.546000 Cu 0.226354 0.259577 0.5 815 63.546 5.35787e-06 -3.5345 63.546000 Cu 0.264336 0.211408 0.5 752 63.546 2.17338e-05 -3.53402 63.546000 Cu 0.272141 0.226816 1.23805e-16 783 63.546 1.67743e-05 -3.53429 63.546000 Cu 0.341478 0.240313 1.23205e-16 784 63.546 9.06261e-06 -3.53456 63.546000 Cu 0.33365 0.224894 0.5 785 63.546 2.54427e-05 -3.53463 63.546000 Cu 0.279995 0.242234 0.5 786 63.546 2.14881e-06 -3.53445 63.546000 Cu 0.395177 0.222971 2.21577e-16 787 63.546 1.49385e-05 -3.5351 63.546000 Cu 0.464511 0.236459 1.93505e-16 788 63.546 1.62069e-05 -3.53538 63.546000 Cu 0.456726 0.221044 0.5 789 63.546 4.63723e-06 -3.53547 63.546000 Cu 0.402972 0.238388 0.5 790 63.546 3.33032e-05 -3.535 63.546000 Cu 0.287847 0.257657 1.0797e-18 817 63.546 1.36242e-06 -3.53456 63.546000 Cu 0.349349 0.255736 0.5 819 63.546 2.15246e-06 -3.53462 63.546000 Cu 0.410847 0.253812 9.29738e-17 821 63.546 3.29415e-06 -3.53498 63.546000 Cu 0.472346 0.251883 0.5 823 63.546 8.55343e-06 -3.53536 63.546000 Cu 0.587601 0.232599 5.20653e-17 727 63.546 3.59881e-06 -3.53533 63.546000 Cu 0.579801 0.217179 0.5 728 63.546 5.14919e-06 -3.53532 63.546000 Cu 0.64131 0.21525 8.46961e-17 729 63.546 1.8034e-05 -3.53487 63.546000 Cu 0.710642 0.228741 2.50729e-16 730 63.546 4.34999e-06 -3.53447 63.546000 Cu 0.702814 0.213327 0.5 731 63.546 3.62981e-05 -3.53432 63.546000 Cu 0.649123 0.230669 0.5 732 63.546 5.337e-06 -3.53489 63.546000 Cu 0.533868 0.24995 7.60585e-17 759 63.546 2.46009e-05 -3.53531 63.546000 Cu 0.595422 0.248017 0.5 761 63.546 1.09603e-05 -3.53505 63.546000 Cu 0.65697 0.246084 8.39763e-19 763 63.546 2.98351e-06 -3.53479 63.546000 Cu 0.726354 0.259577 1.58235e-16 764 63.546 5.35787e-06 -3.5345 63.546000 Cu 0.718497 0.244156 0.5 765 63.546 6.0817e-06 -3.5346 63.546000 Cu 0.664838 0.261498 0.5 766 63.546 1.50894e-05 -3.53451 63.546000 Cu 0.518271 0.219111 1.23085e-16 791 63.546 2.62316e-06 -3.5355 63.546000 Cu 0.526057 0.234529 0.5 792 63.546 3.53787e-06 -3.53552 63.546000 Cu 0.764336 0.211408 1.39041e-16 733 63.546 2.17338e-05 -3.53402 63.546000 Cu 0.83365 0.224894 1.22725e-16 734 63.546 2.54427e-05 -3.53463 63.546000 Cu 0.772141 0.226816 0.5 736 63.546 1.67743e-05 -3.53429 63.546000 Cu 0.956726 0.221044 2.35134e-16 738 63.546 4.63723e-06 -3.53547 63.546000 Cu 0.895177 0.222971 0.5 740 63.546 1.49385e-05 -3.5351 63.546000 Cu 0.779995 0.242234 1.22965e-16 767 63.546 2.14881e-06 -3.53445 63.546000 Cu 0.849349 0.255736 7.37792e-17 768 63.546 2.15246e-06 -3.53462 63.546000 Cu 0.841478 0.240313 0.5 769 63.546 9.06261e-06 -3.53456 63.546000 Cu 0.787847 0.257657 0.5 770 63.546 1.36242e-06 -3.53456 63.546000 Cu 0.902972 0.238388 2.45331e-16 771 63.546 3.33032e-05 -3.535 63.546000 Cu 0.972346 0.251883 2.45931e-16 772 63.546 8.55343e-06 -3.53536 63.546000 Cu 0.964511 0.236459 0.5 773 63.546 1.62069e-05 -3.53538 63.546000 Cu 0.910847 0.253812 0.5 774 63.546 3.29415e-06 -3.53498 63.546000 Cu 0.0417519 0.265369 5.71039e-17 809 63.546 1.12667e-05 -3.53505 63.546000 Cu 0.111231 0.278849 1.0797e-16 810 63.546 1.84189e-05 -3.53547 63.546000 Cu 0.1033 0.263428 0.5 811 63.546 1.92723e-05 -3.53476 63.546000 Cu 0.0496849 0.280786 0.5 812 63.546 7.6611e-06 -3.53611 63.546000 Cu 0.234225 0.275 1 814 63.546 7.9992e-06 -3.53421 63.546000 Cu 0.172728 0.276919 0.5 816 63.546 2.09427e-05 -3.53478 63.546000 Cu 0.00393518 0.31356 2.17499e-16 838 63.546 2.72214e-05 -3.53628 63.546000 Cu 0.0576171 0.296208 1.86067e-16 841 63.546 1.57091e-05 -3.53623 63.546000 Cu 0.12708 0.309698 1.23685e-16 842 63.546 5.9954e-05 -3.53421 63.546000 Cu 0.119163 0.294276 0.5 843 63.546 1.82311e-05 -3.53528 63.546000 Cu 0.0655525 0.311623 0.5 844 63.546 8.05262e-05 -3.53515 63.546000 Cu 0.180655 0.292352 3.58699e-17 845 63.546 1.46864e-05 -3.53452 63.546000 Cu 0.249991 0.305875 3.98288e-17 846 63.546 3.73748e-05 -3.53429 63.546000 Cu 0.242109 0.290429 0.5 847 63.546 2.6533e-05 -3.53413 63.546000 Cu 0.188576 0.307783 0.5 848 63.546 0.000109559 -3.53384 63.546000 Cu 0.357201 0.271164 2.36693e-16 818 63.546 1.756e-06 -3.53449 63.546000 Cu 0.295712 0.273083 0.5 820 63.546 3.50138e-06 -3.53422 63.546000 Cu 0.480219 0.26731 2.43771e-16 822 63.546 1.80476e-05 -3.5351 63.546000 Cu 0.418692 0.269241 0.5 824 63.546 1.33231e-05 -3.53479 63.546000 Cu 0.303564 0.288514 1.34122e-16 849 63.546 1.54063e-05 -3.53446 63.546000 Cu 0.372877 0.302038 1.0701e-16 850 63.546 6.99663e-05 -3.53604 63.546000 Cu 0.365045 0.286599 0.5 851 63.546 1.46843e-05 -3.53511 63.546000 Cu 0.311415 0.303961 0.5 852 63.546 2.06541e-05 -3.53518 63.546000 Cu 0.426552 0.28467 1.10489e-16 853 63.546 3.38292e-05 -3.53575 63.546000 Cu 0.496032 0.298151 3.96248e-16 854 63.546 1.39406e-05 -3.53663 63.546000 Cu 0.488107 0.28273 0.5 855 63.546 1.35468e-05 -3.53608 63.546000 Cu 0.434448 0.300098 0.5 856 63.546 4.38901e-05 -3.53675 63.546000 Cu 0.442295 0.315513 1.22965e-16 885 63.546 2.8583e-05 -3.53682 63.546000 Cu 0.6033 0.263428 1.0797e-18 760 63.546 1.92723e-05 -3.53476 63.546000 Cu 0.541752 0.265369 0.5 762 63.546 1.12667e-05 -3.53505 63.546000 Cu 0.549685 0.280786 2.4893e-16 793 63.546 7.6611e-06 -3.53611 63.546000 Cu 0.619163 0.294276 4.75066e-17 794 63.546 1.82311e-05 -3.53528 63.546000 Cu 0.611231 0.278849 0.5 795 63.546 1.84189e-05 -3.53547 63.546000 Cu 0.557617 0.296208 0.5 796 63.546 1.57091e-05 -3.53623 63.546000 Cu 0.672728 0.276919 1.72511e-16 797 63.546 2.09427e-05 -3.53478 63.546000 Cu 0.742109 0.290429 1 798 63.546 2.6533e-05 -3.53413 63.546000 Cu 0.734225 0.275 0.5 799 63.546 7.9992e-06 -3.53421 63.546000 Cu 0.680655 0.292352 0.5 800 63.546 1.46864e-05 -3.53452 63.546000 Cu 0.565552 0.311623 2.77602e-16 825 63.546 8.05262e-05 -3.53515 63.546000 Cu 0.62708 0.309698 0.5 827 63.546 5.9954e-05 -3.53421 63.546000 Cu 0.688576 0.307783 2.83e-16 829 63.546 0.000109559 -3.53384 63.546000 Cu 0.749991 0.305875 0.5 831 63.546 3.73748e-05 -3.53429 63.546000 Cu 0.503935 0.31356 0.5 887 63.546 2.72214e-05 -3.53628 63.546000 Cu 0.795712 0.273083 3.33626e-16 801 63.546 3.50138e-06 -3.53422 63.546000 Cu 0.865045 0.286599 8.80551e-17 802 63.546 1.46843e-05 -3.53511 63.546000 Cu 0.857201 0.271164 0.5 803 63.546 1.756e-06 -3.53449 63.546000 Cu 0.803564 0.288514 0.5 804 63.546 1.54063e-05 -3.53446 63.546000 Cu 0.918692 0.269241 6.92205e-17 805 63.546 1.33231e-05 -3.53479 63.546000 Cu 0.988107 0.28273 1.28244e-16 806 63.546 1.35468e-05 -3.53608 63.546000 Cu 0.980219 0.26731 0.5 807 63.546 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2.09221e-16 945 63.546 0.00163474 -3.53608 63.546000 Cu 0.234126 0.400261 0.5 948 63.546 0.00214169 -3.53294 63.546000 Cu 0.118746 0.419954 2.45811e-16 973 63.546 0.0125629 -3.55418 63.546000 Cu 0.180655 0.417778 0.5 975 63.546 0.00493114 -3.54373 63.546000 Cu 0.242389 0.415515 1.17567e-16 977 63.546 0.00344086 -3.52788 63.546000 Cu 0.296083 0.398154 2.26856e-16 946 63.546 0.00089656 -3.53043 63.546000 Cu 0.288252 0.382911 0.5 947 63.546 0.000440971 -3.5367 63.546000 Cu 0.350241 0.380905 3.59898e-19 949 63.546 0.000415997 -3.53577 63.546000 Cu 0.419828 0.394319 1.28004e-16 950 63.546 0.00424196 -3.53172 63.546000 Cu 0.412069 0.378952 0.5 951 63.546 0.00170643 -3.53357 63.546000 Cu 0.358078 0.396161 0.5 952 63.546 0.00288941 -3.53069 63.546000 Cu 0.473589 0.377068 2.45691e-16 953 63.546 0.00192446 -3.53187 63.546000 Cu 0.481155 0.392561 0.5 954 63.546 0.00170267 -3.53319 63.546000 Cu 0.30407 0.413351 0.5 979 63.546 0.0088071 -3.51873 63.546000 Cu 0.365689 0.411437 1.4228e-16 981 63.546 0.00926536 -3.52074 63.546000 Cu 0.427088 0.409744 0.5 983 63.546 0.00403905 -3.5285 63.546000 Cu 0.488373 0.408115 1.89547e-16 985 63.546 0.00216084 -3.53605 63.546000 Cu 0.542237 0.390784 2.1198e-16 889 63.546 0.000300558 -3.53476 63.546000 Cu 0.534872 0.375237 0.5 890 63.546 0.000599524 -3.5317 63.546000 Cu 0.596061 0.373399 1.96505e-16 891 63.546 0.000149507 -3.53246 63.546000 Cu 0.664741 0.386972 2.06702e-16 892 63.546 0.00202003 -3.53525 63.546000 Cu 0.657318 0.371514 0.5 893 63.546 0.000843771 -3.53414 63.546000 Cu 0.603371 0.388925 0.5 894 63.546 0.00129839 -3.53535 63.546000 Cu 0.718815 0.369577 1.87267e-16 895 63.546 0.00117618 -3.53643 63.546000 Cu 0.726362 0.384952 0.5 898 63.546 0.00163474 -3.53608 63.546000 Cu 0.549602 0.406377 0.5 924 63.546 0.00312687 -3.5422 63.546000 Cu 0.610918 0.404464 2.08141e-16 925 63.546 0.00372187 -3.5431 63.546000 Cu 0.680655 0.417778 9.11743e-17 926 63.546 0.00493114 -3.54373 63.546000 Cu 0.672378 0.402402 0.5 927 63.546 0.00396248 -3.53833 63.546000 Cu 0.618746 0.419954 0.5 928 63.546 0.0125629 -3.55418 63.546000 Cu 0.734126 0.400261 1.60515e-16 929 63.546 0.00214169 -3.53294 63.546000 Cu 0.742389 0.415515 0.5 932 63.546 0.00344086 -3.52788 63.546000 Cu 0.788252 0.382911 2.64405e-16 896 63.546 0.000440971 -3.5367 63.546000 Cu 0.912069 0.378952 3.60138e-16 900 63.546 0.00170643 -3.53357 63.546000 Cu 0.850241 0.380905 0.5 902 63.546 0.000415997 -3.53577 63.546000 Cu 0.973589 0.377068 0.5 906 63.546 0.00192446 -3.53187 63.546000 Cu 0.80407 0.413351 3.69136e-16 930 63.546 0.0088071 -3.51873 63.546000 Cu 0.796083 0.398154 0.5 931 63.546 0.00089656 -3.53043 63.546000 Cu 0.858078 0.396161 3.68296e-16 933 63.546 0.00288941 -3.53069 63.546000 Cu 0.927088 0.409744 3.68656e-16 934 63.546 0.00403905 -3.5285 63.546000 Cu 0.919828 0.394319 0.5 935 63.546 0.00424196 -3.53172 63.546000 Cu 0.865689 0.411437 0.5 936 63.546 0.00926536 -3.52074 63.546000 Cu 0.981155 0.392561 5.01338e-16 937 63.546 0.00170267 -3.53319 63.546000 Cu 0.988373 0.408115 0.5 940 63.546 0.00216084 -3.53605 63.546000 Cu 0.0635193 0.437289 3.68776e-16 970 63.546 0.0310396 -3.56032 63.546000 Cu 0.0567273 0.421929 0.5 971 63.546 0.0125559 -3.55364 63.546000 Cu 0.000743935 0.439195 0.5 972 63.546 0.0227834 -3.5485 63.546000 Cu 0.189896 0.433016 5.86394e-16 974 63.546 0.0114352 -3.5463 63.546000 Cu 0.126845 0.435201 0.5 976 63.546 0.0223334 -3.5566 63.546000 Cu 0.00615406 0.454547 2.4653e-16 1001 63.546 0.118067 -3.53381 63.546000 Cu 0.0782881 0.466489 1.67953e-18 1002 63.546 0.0544479 -3.46773 63.546000 Cu 0.0701893 0.452212 0.5 1003 63.546 0.0390952 -3.53591 63.546000 Cu 0.0113002 0.469386 0.5 1004 63.546 1.11292 -3.35066 63.546000 Cu 0.13544 0.450002 3.68536e-16 1005 63.546 0.0199816 -3.53556 63.546000 Cu 0.208557 0.462819 2.25056e-16 1006 63.546 0.153787 -3.49488 63.546000 Cu 0.199352 0.448065 0.5 1007 63.546 0.0421012 -3.54082 63.546000 Cu 0.143042 0.464502 0.5 1008 63.546 0.0471008 -3.51181 63.546000 Cu 0.251632 0.43081 0.5 980 63.546 0.0107955 -3.52662 63.546000 Cu 0.451267 0.473369 0.5 13 63.546 1.03446 -3.31364 63.546000 Cu 0.312328 0.428674 4.14243e-16 978 63.546 0.0302385 -3.50211 63.546000 Cu 0.43364 0.425257 2.60327e-16 982 63.546 0.00353073 -3.5251 63.546000 Cu 0.372798 0.426852 0.5 984 63.546 0.0214633 -3.50689 63.546000 Cu 0.494956 0.423675 0.5 986 63.546 0.00479918 -3.54252 63.546000 Cu 0.261721 0.446214 3.68176e-16 1009 63.546 0.0718095 -3.52144 63.546000 Cu 0.330433 0.460846 4.90781e-16 1010 63.546 0.111617 -3.51374 63.546000 Cu 0.32114 0.444444 0.5 1011 63.546 0.0367848 -3.49296 63.546000 Cu 0.270687 0.461853 0.5 1012 63.546 0.12891 -3.52463 63.546000 Cu 0.379522 0.442579 2.30815e-16 1013 63.546 0.057386 -3.48021 63.546000 Cu 0.444364 0.456756 2.28296e-16 1014 63.546 0.241746 -3.45677 63.546000 Cu 0.439353 0.440893 0.5 1015 63.546 0.0283874 -3.51499 63.546000 Cu 0.387106 0.458993 0.5 1016 63.546 0.0700213 -3.43719 63.546000 Cu 0.5113 0.469386 1.23685e-16 4 63.546 1.11292 -3.35066 63.546000 Cu 0.556727 0.421929 2.8516e-16 923 63.546 0.0125559 -3.55364 63.546000 Cu 0.570189 0.452212 1.67473e-16 955 63.546 0.0390952 -3.53591 63.546000 Cu 0.563519 0.437289 0.5 956 63.546 0.0310396 -3.56032 63.546000 Cu 0.626845 0.435201 2.29015e-16 957 63.546 0.0223334 -3.5566 63.546000 Cu 0.699352 0.448065 2.31655e-16 958 63.546 0.0421012 -3.54082 63.546000 Cu 0.689896 0.433016 0.5 959 63.546 0.0114352 -3.5463 63.546000 Cu 0.63544 0.450002 0.5 960 63.546 0.0199816 -3.53556 63.546000 Cu 0.578288 0.466489 0.5 988 63.546 0.0544479 -3.46773 63.546000 Cu 0.643042 0.464502 2.52169e-16 989 63.546 0.0471008 -3.51181 63.546000 Cu 0.708557 0.462819 0.5 991 63.546 0.153787 -3.49488 63.546000 Cu 0.500744 0.439195 2.45571e-16 1017 63.546 0.0227834 -3.5485 63.546000 Cu 0.506154 0.454547 0.5 1018 63.546 0.118067 -3.53381 63.546000 Cu 0.751632 0.43081 1.04491e-16 961 63.546 0.0107955 -3.52662 63.546000 Cu 0.82114 0.444444 1.23925e-16 962 63.546 0.0367848 -3.49296 63.546000 Cu 0.812328 0.428674 0.5 963 63.546 0.0302385 -3.50211 63.546000 Cu 0.761721 0.446214 0.5 964 63.546 0.0718095 -3.52144 63.546000 Cu 0.872798 0.426852 2.4665e-16 965 63.546 0.0214633 -3.50689 63.546000 Cu 0.939353 0.440893 3.57859e-16 966 63.546 0.0283874 -3.51499 63.546000 Cu 0.93364 0.425257 0.5 967 63.546 0.00353073 -3.5251 63.546000 Cu 0.879522 0.442579 0.5 968 63.546 0.057386 -3.48021 63.546000 Cu 0.994956 0.423675 2.4653e-16 969 63.546 0.00479918 -3.54252 63.546000 Cu 0.770687 0.461853 1.23565e-16 993 63.546 0.12891 -3.52463 63.546000 Cu 0.830433 0.460846 0.5 995 63.546 0.111617 -3.51374 63.546000 Cu 0.887106 0.458993 2.88039e-16 997 63.546 0.0700213 -3.43719 63.546000 Cu 0.951267 0.473369 1.23685e-16 998 63.546 1.03446 -3.31364 63.546000 Cu 0.944364 0.456756 0.5 999 63.546 0.241746 -3.45677 63.546000 Cu 0.0220003 0.503197 1.0797e-18 1 63.546 9.10107 -3.04793 63.546000 Cu 0.152217 0.508125 1 3 63.546 0.419859 -3.39579 63.546000 Cu 0.214703 0.508624 0.5 6 63.546 0.149228 -3.49972 63.546000 Cu 0.0116957 0.517155 0.5 27 63.546 1.07117 -3.34979 63.546000 Cu 0.0786483 0.520069 1.24525e-16 29 63.546 0.0569041 -3.46552 63.546000 Cu 0.14337 0.522018 0.5 31 63.546 0.0455579 -3.51047 63.546000 Cu 0.208883 0.523687 2.02383e-16 33 63.546 0.155222 -3.49626 63.546000 Cu 0.0215755 0.483384 3.2007e-16 1027 63.546 9.15737 -3.05462 63.546000 Cu 0.0957228 0.493245 1 1028 63.546 6.4262 -2.76947 63.546000 Cu 0.0830672 0.480663 0.5 1029 63.546 4.47285 -3.33872 63.546000 Cu 0.0834374 0.505883 0.5 1030 63.546 4.3839 -3.33854 63.546000 Cu 0.152062 0.478386 6.56215e-17 1031 63.546 0.431888 -3.39224 63.546000 Cu 0.216454 0.493254 4.46274e-17 1032 63.546 0.0717775 -3.51403 63.546000 Cu 0.214575 0.477887 0.5 1033 63.546 0.152578 -3.49769 63.546000 Cu 0.15566 0.49325 0.5 1034 63.546 0.594228 -3.41894 63.546000 Cu 0.397656 0.47661 1.68432e-16 514 63.546 0.541379 -3.46066 63.546000 Cu 0.276508 0.508895 2.15099e-16 5 63.546 0.0897376 -3.53162 63.546000 Cu 0.3978 0.509905 1.23085e-16 7 63.546 0.526066 -3.46126 63.546000 Cu 0.338176 0.50928 0.5 8 63.546 0.222671 -3.54241 63.546000 Cu 0.451516 0.513124 0.5 9 63.546 1.00783 -3.32127 63.546000 Cu 0.406778 0.493251 0.5 10 63.546 1.93806 -3.6695 63.546000 Cu 0.271042 0.524649 0.5 35 63.546 0.136759 -3.52565 63.546000 Cu 0.47041 0.493324 2.34774e-16 498 63.546 8.25576 -3.89925 63.546000 Cu 0.27818 0.493257 0.5 515 63.546 0.057271 -3.52755 63.546000 Cu 0.337952 0.477218 0.5 522 63.546 0.21276 -3.54253 63.546000 Cu 0.276318 0.47761 3.05194e-16 1035 63.546 0.0873175 -3.53006 63.546000 Cu 0.340956 0.493249 1.7659e-16 1036 63.546 0.200915 -3.53867 63.546000 Cu 0.330699 0.525672 2.66325e-16 37 63.546 0.111665 -3.51223 63.546000 Cu 0.521575 0.483384 0.5 2 63.546 9.15737 -3.05462 63.546000 Cu 0.511696 0.517155 2.45211e-16 11 63.546 1.07117 -3.34979 63.546000 Cu 0.522 0.503197 0.5 12 63.546 9.10107 -3.04793 63.546000 Cu 0.64337 0.522018 3.06034e-16 14 63.546 0.0455579 -3.51047 63.546000 Cu 0.652217 0.508125 0.5 15 63.546 0.419859 -3.39579 63.546000 Cu 0.578648 0.520069 0.5 16 63.546 0.0569041 -3.46552 63.546000 Cu 0.714703 0.508624 1.23445e-16 17 63.546 0.149228 -3.49972 63.546000 Cu 0.708883 0.523687 0.5 20 63.546 0.155222 -3.49626 63.546000 Cu 0.583067 0.480663 1.23925e-16 987 63.546 4.47285 -3.33872 63.546000 Cu 0.714575 0.477887 1.23565e-16 990 63.546 0.152578 -3.49769 63.546000 Cu 0.652062 0.478386 0.5 992 63.546 0.431888 -3.39224 63.546000 Cu 0.583437 0.505883 3.67816e-16 1019 63.546 4.3839 -3.33854 63.546000 Cu 0.595723 0.493245 0.5 1020 63.546 6.4262 -2.76947 63.546000 Cu 0.65566 0.49325 2.46171e-16 1021 63.546 0.594228 -3.41894 63.546000 Cu 0.716454 0.493254 0.5 1022 63.546 0.0717775 -3.51403 63.546000 Cu 0.897656 0.47661 0.5 1000 63.546 0.541379 -3.46066 63.546000 Cu 0.771042 0.524649 2.95836e-16 18 63.546 0.136759 -3.52565 63.546000 Cu 0.776508 0.508895 0.5 19 63.546 0.0897376 -3.53162 63.546000 Cu 0.838176 0.50928 1.31963e-18 21 63.546 0.222671 -3.54241 63.546000 Cu 0.8978 0.509905 0.5 23 63.546 0.526066 -3.46126 63.546000 Cu 0.951516 0.513124 1.12888e-16 25 63.546 1.00783 -3.32127 63.546000 Cu 0.837952 0.477218 2.72923e-16 994 63.546 0.21276 -3.54253 63.546000 Cu 0.776318 0.47761 0.5 996 63.546 0.0873175 -3.53006 63.546000 Cu 0.77818 0.493257 1.23925e-16 1023 63.546 0.057271 -3.52755 63.546000 Cu 0.840956 0.493249 0.5 1024 63.546 0.200915 -3.53867 63.546000 Cu 0.906778 0.493251 1.23565e-16 1025 63.546 1.93806 -3.6695 63.546000 Cu 0.97041 0.493324 0.5 1026 63.546 8.25576 -3.89925 63.546000 Cu 0.830699 0.525672 0.5 24 63.546 0.111665 -3.51223 63.546000 Cu 0.00635955 0.531967 6.51416e-17 26 63.546 0.123355 -3.53381 63.546000 Cu 0.135827 0.536518 1.23805e-16 30 63.546 0.0203916 -3.5345 63.546000 Cu 0.0704963 0.534327 0.5 32 63.546 0.0357534 -3.53386 63.546000 Cu 0.19977 0.53844 0.5 36 63.546 0.0457498 -3.54102 63.546000 Cu 0.000866395 0.547285 0.5 59 63.546 0.0285682 -3.54888 63.546000 Cu 0.0638079 0.549202 6.56215e-17 61 63.546 0.0325984 -3.55936 63.546000 Cu 0.119015 0.566536 1.84028e-16 62 63.546 0.0148675 -3.55418 63.546000 Cu 0.127247 0.551302 0.5 63 63.546 0.0234405 -3.55557 63.546000 Cu 0.0569741 0.564535 0.5 64 63.546 0.0167221 -3.5546 63.546000 Cu 0.190291 0.553496 1.36881e-16 65 63.546 0.0139142 -3.54525 63.546000 Cu 0.24247 0.571045 1.70592e-16 66 63.546 0.00386238 -3.52776 63.546000 Cu 0.180878 0.568747 0.5 68 63.546 0.00494298 -3.54279 63.546000 Cu 0.262097 0.540302 1.91466e-16 34 63.546 0.0750299 -3.52187 63.546000 Cu 0.379748 0.543952 1.0509e-16 38 63.546 0.0571169 -3.48119 63.546000 Cu 0.387322 0.527522 0.5 39 63.546 0.067295 -3.43592 63.546000 Cu 0.321427 0.542098 0.5 40 63.546 0.0375777 -3.49306 63.546000 Cu 0.444531 0.529727 2.45451e-16 41 63.546 0.244936 -3.45818 63.546000 Cu 0.439502 0.545616 0.5 42 63.546 0.0305053 -3.51532 63.546000 Cu 0.251904 0.555732 0.5 67 63.546 0.0107447 -3.52581 63.546000 Cu 0.312535 0.55789 1.23085e-16 69 63.546 0.0324867 -3.50306 63.546000 Cu 0.365767 0.57512 4.48673e-17 70 63.546 0.00970815 -3.52142 63.546000 Cu 0.372981 0.559716 0.5 71 63.546 0.0261284 -3.50838 63.546000 Cu 0.304081 0.573225 0.5 72 63.546 0.0110269 -3.51989 63.546000 Cu 0.433822 0.561278 1.23325e-16 73 63.546 0.00444866 -3.52639 63.546000 Cu 0.427343 0.576788 0.5 74 63.546 0.00548533 -3.52867 63.546000 Cu 0.48866 0.578391 2.08741e-16 75 63.546 0.00332993 -3.53628 63.546000 Cu 0.495177 0.562812 0.5 76 63.546 0.0058486 -3.54403 63.546000 Cu 0.500866 0.547285 2.45691e-16 43 63.546 0.0285682 -3.54888 63.546000 Cu 0.50636 0.531967 0.5 44 63.546 0.123355 -3.53381 63.546000 Cu 0.570496 0.534327 2.45211e-16 45 63.546 0.0357534 -3.53386 63.546000 Cu 0.627247 0.551302 1.7683e-16 46 63.546 0.0234405 -3.55557 63.546000 Cu 0.635827 0.536518 0.5 47 63.546 0.0203916 -3.5345 63.546000 Cu 0.563808 0.549202 0.5 48 63.546 0.0325984 -3.55936 63.546000 Cu 0.69977 0.53844 2.39093e-16 49 63.546 0.0457498 -3.54102 63.546000 Cu 0.690291 0.553496 0.5 52 63.546 0.0139142 -3.54525 63.546000 Cu 0.556974 0.564535 2.44371e-16 77 63.546 0.0167221 -3.5546 63.546000 Cu 0.619015 0.566536 0.5 79 63.546 0.0148675 -3.55418 63.546000 Cu 0.680878 0.568747 2.89238e-16 81 63.546 0.00494298 -3.54279 63.546000 Cu 0.74247 0.571045 0.5 83 63.546 0.00386238 -3.52776 63.546000 Cu 0.887322 0.527522 1.23445e-16 22 63.546 0.067295 -3.43592 63.546000 Cu 0.944531 0.529727 0.5 28 63.546 0.244936 -3.45818 63.546000 Cu 0.751904 0.555732 1.22485e-16 50 63.546 0.0107447 -3.52581 63.546000 Cu 0.762097 0.540302 0.5 51 63.546 0.0750299 -3.52187 63.546000 Cu 0.821427 0.542098 4.35597e-16 53 63.546 0.0375777 -3.49306 63.546000 Cu 0.872981 0.559716 2.51809e-16 54 63.546 0.0261284 -3.50838 63.546000 Cu 0.879748 0.543952 0.5 55 63.546 0.0571169 -3.48119 63.546000 Cu 0.812535 0.55789 0.5 56 63.546 0.0324867 -3.50306 63.546000 Cu 0.939502 0.545616 3.49941e-16 57 63.546 0.0305053 -3.51532 63.546000 Cu 0.995177 0.562812 2.01543e-16 58 63.546 0.0058486 -3.54403 63.546000 Cu 0.933822 0.561278 0.5 60 63.546 0.00444866 -3.52639 63.546000 Cu 0.804081 0.573225 2.93797e-16 85 63.546 0.0110269 -3.51989 63.546000 Cu 0.865767 0.57512 0.5 87 63.546 0.00970815 -3.52142 63.546000 Cu 0.927343 0.576788 2.38133e-16 89 63.546 0.00548533 -3.52867 63.546000 Cu 0.98866 0.578391 0.5 91 63.546 0.00332993 -3.53628 63.546000 Cu 0.0498505 0.580104 2.07182e-16 93 63.546 0.00499393 -3.54287 63.546000 Cu 0.103308 0.597622 1.65313e-16 94 63.546 0.00145309 -3.53578 63.546000 Cu 0.111042 0.582038 0.5 95 63.546 0.00491282 -3.54344 63.546000 Cu 0.0423651 0.595734 0.5 96 63.546 0.000664975 -3.53432 63.546000 Cu 0.172344 0.584152 1.26324e-16 97 63.546 0.00450122 -3.53845 63.546000 Cu 0.226196 0.601629 6.77809e-17 98 63.546 0.00216605 -3.53662 63.546000 Cu 0.233972 0.586325 0.5 99 63.546 0.00423075 -3.53368 63.546000 Cu 0.164525 0.599615 0.5 100 63.546 0.0030061 -3.53606 63.546000 Cu 0.0347181 0.611306 1.53317e-16 125 63.546 0.000728275 -3.53031 63.546000 Cu 0.0883215 0.628664 2.02263e-16 126 63.546 0.000324313 -3.53185 63.546000 Cu 0.0957885 0.613185 0.5 127 63.546 0.000671143 -3.5319 63.546000 Cu 0.0269461 0.626786 0.5 128 63.546 0.000584187 -3.53031 63.546000 Cu 0.157084 0.615073 1.65073e-16 129 63.546 0.000899342 -3.5351 63.546000 Cu 0.218702 0.616996 0.5 131 63.546 0.000952412 -3.53763 63.546000 Cu 0.149739 0.630539 0.5 132 63.546 0.00014527 -3.53492 63.546000 Cu 0.296014 0.588424 1.03651e-16 101 63.546 0.00172915 -3.5315 63.546000 Cu 0.35032 0.605632 1.23565e-16 102 63.546 0.000886276 -3.53632 63.546000 Cu 0.358157 0.590383 0.5 103 63.546 0.00278295 -3.53091 63.546000 Cu 0.288232 0.603646 0.5 104 63.546 0.000471474 -3.53749 63.546000 Cu 0.420001 0.592195 5.99831e-19 105 63.546 0.0044645 -3.53053 63.546000 Cu 0.412128 0.60756 0.5 106 63.546 0.00175366 -3.53323 63.546000 Cu 0.473569 0.609438 1.28004e-16 107 63.546 0.00143725 -3.53087 63.546000 Cu 0.481359 0.593949 0.5 108 63.546 0.00285205 -3.5317 63.546000 Cu 0.280504 0.61895 3.21509e-17 133 63.546 0.000894366 -3.53912 63.546000 Cu 0.342371 0.620942 0.5 135 63.546 0.000346865 -3.5385 63.546000 Cu 0.404102 0.622929 1.25125e-16 137 63.546 0.000421283 -3.53567 63.546000 Cu 0.465601 0.624876 0.5 140 63.546 0.000573554 -3.53212 63.546000 Cu 0.611042 0.582038 2.45451e-16 78 63.546 0.00491282 -3.54344 63.546000 Cu 0.549851 0.580104 0.5 80 63.546 0.00499393 -3.54287 63.546000 Cu 0.733972 0.586325 2.34654e-16 82 63.546 0.00423075 -3.53368 63.546000 Cu 0.672344 0.584152 0.5 84 63.546 0.00450122 -3.53845 63.546000 Cu 0.542365 0.595734 9.72925e-17 109 63.546 0.000664975 -3.53432 63.546000 Cu 0.595788 0.613185 1.89547e-16 110 63.546 0.000671143 -3.5319 63.546000 Cu 0.603308 0.597622 0.5 111 63.546 0.00145309 -3.53578 63.546000 Cu 0.534718 0.611306 0.5 112 63.546 0.000728275 -3.53031 63.546000 Cu 0.664525 0.599615 3.69136e-16 113 63.546 0.0030061 -3.53606 63.546000 Cu 0.718702 0.616996 4.28399e-16 114 63.546 0.000952412 -3.53763 63.546000 Cu 0.726196 0.601629 0.5 115 63.546 0.00216605 -3.53662 63.546000 Cu 0.657084 0.615073 0.5 116 63.546 0.000899342 -3.5351 63.546000 Cu 0.526946 0.626786 1.24285e-16 141 63.546 0.000584187 -3.53031 63.546000 Cu 0.588322 0.628664 0.5 143 63.546 0.000324313 -3.53185 63.546000 Cu 0.649739 0.630539 1.14328e-16 145 63.546 0.00014527 -3.53492 63.546000 Cu 0.858157 0.590383 4.37277e-16 86 63.546 0.00278295 -3.53091 63.546000 Cu 0.796014 0.588424 0.5 88 63.546 0.00172915 -3.5315 63.546000 Cu 0.981359 0.593949 2.06102e-16 90 63.546 0.00285205 -3.5317 63.546000 Cu 0.920001 0.592195 0.5 92 63.546 0.0044645 -3.53053 63.546000 Cu 0.788232 0.603646 3.70695e-17 117 63.546 0.000471474 -3.53749 63.546000 Cu 0.842371 0.620942 1.70472e-16 118 63.546 0.000346865 -3.5385 63.546000 Cu 0.85032 0.605632 0.5 119 63.546 0.000886276 -3.53632 63.546000 Cu 0.780504 0.61895 0.5 120 63.546 0.000894366 -3.53912 63.546000 Cu 0.912128 0.60756 2.45571e-16 121 63.546 0.00175366 -3.53323 63.546000 Cu 0.965601 0.624876 9.59729e-19 122 63.546 0.000573554 -3.53212 63.546000 Cu 0.973569 0.609438 0.5 123 63.546 0.00143725 -3.53087 63.546000 Cu 0.904102 0.622929 0.5 124 63.546 0.000421283 -3.53567 63.546000 Cu 0.211226 0.632414 3.74294e-17 130 63.546 0.00038087 -3.5374 63.546000 Cu 0.0191965 0.6422 2.57687e-16 157 63.546 0.00019785 -3.53234 63.546000 Cu 0.0729666 0.659514 1.38081e-16 158 63.546 8.05982e-05 -3.53465 63.546000 Cu 0.0806802 0.644098 0.5 159 63.546 9.66781e-05 -3.53324 63.546000 Cu 0.0114488 0.657601 0.5 160 63.546 0.000154408 -3.53446 63.546000 Cu 0.142153 0.645981 7.20996e-17 161 63.546 6.61732e-05 -3.53467 63.546000 Cu 0.195917 0.663304 1.424e-16 162 63.546 4.72426e-05 -3.53453 63.546000 Cu 0.203611 0.64787 0.5 163 63.546 2.87139e-05 -3.53615 63.546000 Cu 0.134428 0.661414 0.5 164 63.546 7.41037e-05 -3.5348 63.546000 Cu 0.00369503 0.672985 1.61954e-16 189 63.546 7.18637e-05 -3.53498 63.546000 Cu 0.0652871 0.674928 0.5 191 63.546 0.000187616 -3.53501 63.546000 Cu 0.126842 0.676838 9.98118e-17 193 63.546 0.000106876 -3.5345 63.546000 Cu 0.188339 0.678728 0.5 195 63.546 1.62593e-05 -3.53396 63.546000 Cu 0.249812 0.680621 2.38493e-16 197 63.546 3.64647e-05 -3.53376 63.546000 Cu 0.334437 0.636302 1.55956e-18 134 63.546 0.000289967 -3.53788 63.546000 Cu 0.272798 0.634334 0.5 136 63.546 0.000613342 -3.53839 63.546000 Cu 0.457682 0.640277 2.39212e-16 138 63.546 0.000306365 -3.53319 63.546000 Cu 0.396072 0.6383 0.5 139 63.546 9.0772e-05 -3.53583 63.546000 Cu 0.265081 0.649764 7.36592e-17 165 63.546 0.000167108 -3.53668 63.546000 Cu 0.318936 0.667112 1 166 63.546 0.000130482 -3.53496 63.546000 Cu 0.32661 0.6517 0.5 167 63.546 0.000292503 -3.53656 63.546000 Cu 0.257416 0.665197 0.5 168 63.546 5.00199e-05 -3.53455 63.546000 Cu 0.388235 0.653675 1.31963e-18 169 63.546 5.777e-05 -3.53551 63.546000 Cu 0.442089 0.671026 2.4653e-16 170 63.546 2.03476e-05 -3.53502 63.546000 Cu 0.449844 0.65565 0.5 171 63.546 5.80906e-05 -3.53451 63.546000 Cu 0.380468 0.669059 0.5 172 63.546 0.000133738 -3.53505 63.546000 Cu 0.311284 0.682528 0.5 199 63.546 9.75147e-05 -3.53403 63.546000 Cu 0.58068 0.644098 2.34174e-16 142 63.546 9.66781e-05 -3.53324 63.546000 Cu 0.519197 0.6422 0.5 144 63.546 0.00019785 -3.53234 63.546000 Cu 0.703611 0.64787 2.85279e-16 146 63.546 2.87139e-05 -3.53615 63.546000 Cu 0.711226 0.632414 0.5 147 63.546 0.00038087 -3.5374 63.546000 Cu 0.642153 0.645981 0.5 148 63.546 6.61732e-05 -3.53467 63.546000 Cu 0.511449 0.657601 1.68432e-16 173 63.546 0.000154408 -3.53446 63.546000 Cu 0.565287 0.674928 1.81149e-16 174 63.546 0.000187616 -3.53501 63.546000 Cu 0.572967 0.659514 0.5 175 63.546 8.05982e-05 -3.53465 63.546000 Cu 0.503695 0.672985 0.5 176 63.546 7.18637e-05 -3.53498 63.546000 Cu 0.634428 0.661414 2.54328e-16 177 63.546 7.41037e-05 -3.5348 63.546000 Cu 0.688339 0.678728 2.4677e-16 178 63.546 1.62593e-05 -3.53396 63.546000 Cu 0.695917 0.663304 0.5 179 63.546 4.72426e-05 -3.53453 63.546000 Cu 0.626842 0.676838 0.5 180 63.546 0.000106876 -3.5345 63.546000 Cu 0.749812 0.680621 0.5 184 63.546 3.64647e-05 -3.53376 63.546000 Cu 0.772798 0.634334 2.75082e-16 149 63.546 0.000613342 -3.53839 63.546000 Cu 0.82661 0.6517 1.38561e-16 150 63.546 0.000292503 -3.53656 63.546000 Cu 0.834437 0.636302 0.5 151 63.546 0.000289967 -3.53788 63.546000 Cu 0.765081 0.649764 0.5 152 63.546 0.000167108 -3.53668 63.546000 Cu 0.896072 0.6383 3.50301e-17 153 63.546 9.0772e-05 -3.53583 63.546000 Cu 0.949844 0.65565 3.29907e-17 154 63.546 5.80906e-05 -3.53451 63.546000 Cu 0.957682 0.640277 0.5 155 63.546 0.000306365 -3.53319 63.546000 Cu 0.888235 0.653675 0.5 156 63.546 5.777e-05 -3.53551 63.546000 Cu 0.757416 0.665197 9.51331e-17 181 63.546 5.00199e-05 -3.53455 63.546000 Cu 0.811284 0.682528 3.03994e-16 182 63.546 9.75147e-05 -3.53403 63.546000 Cu 0.818936 0.667112 0.5 183 63.546 0.000130482 -3.53496 63.546000 Cu 0.880468 0.669059 1.12408e-16 185 63.546 0.000133738 -3.53505 63.546000 Cu 0.942089 0.671026 0.5 187 63.546 2.03476e-05 -3.53502 63.546000 Cu 0.0576771 0.69031 4.6187e-17 190 63.546 3.47896e-05 -3.53455 63.546000 Cu 0.180825 0.694154 1.67953e-16 194 63.546 9.81547e-05 -3.53419 63.546000 Cu 0.11931 0.692239 0.5 196 63.546 0.000149777 -3.53421 63.546000 Cu 0.24227 0.69605 0.5 200 63.546 5.64814e-06 -3.53406 63.546000 Cu 0.0424322 0.721079 1.11329e-16 222 63.546 1.08019e-05 -3.53522 63.546000 Cu 0.0500709 0.705688 0.5 223 63.546 1.83918e-05 -3.53502 63.546000 Cu 0.111673 0.707632 3.5558e-16 225 63.546 2.65463e-05 -3.53467 63.546000 Cu 0.165634 0.724958 1.00412e-16 226 63.546 1.40143e-05 -3.53438 63.546000 Cu 0.173241 0.709564 0.5 227 63.546 9.07774e-05 -3.53431 63.546000 Cu 0.104033 0.723022 0.5 228 63.546 7.70025e-06 -3.53488 63.546000 Cu 0.234775 0.711478 1.23805e-16 229 63.546 0.000119266 -3.53416 63.546000 Cu 0.227188 0.726885 0.5 232 63.546 4.02175e-05 -3.53408 63.546000 Cu 0.0348482 0.736475 0.5 255 63.546 1.97534e-05 -3.53519 63.546000 Cu 0.303717 0.697945 1.49478e-16 198 63.546 8.36155e-05 -3.53402 63.546000 Cu 0.372819 0.684455 1.02331e-16 201 63.546 9.96094e-05 -3.53466 63.546000 Cu 0.426777 0.701799 1.51517e-16 202 63.546 8.09306e-05 -3.53528 63.546000 Cu 0.434384 0.686406 0.5 203 63.546 7.86231e-05 -3.53526 63.546000 Cu 0.365211 0.69986 0.5 204 63.546 0.00012704 -3.53461 63.546000 Cu 0.496022 0.688366 1.68432e-16 205 63.546 3.29333e-05 -3.53511 63.546000 Cu 0.488424 0.703743 0.5 208 63.546 1.30012e-05 -3.53541 63.546000 Cu 0.288742 0.728798 1.24165e-16 230 63.546 7.75796e-05 -3.53414 63.546000 Cu 0.296226 0.713376 0.5 231 63.546 9.97095e-06 -3.53407 63.546000 Cu 0.357692 0.715276 2.44131e-16 233 63.546 8.02685e-05 -3.53447 63.546000 Cu 0.411742 0.732608 1.81869e-16 234 63.546 4.37501e-05 -3.53518 63.546000 Cu 0.419245 0.717193 0.5 235 63.546 0.000102807 -3.53494 63.546000 Cu 0.350251 0.730699 0.5 236 63.546 2.97899e-05 -3.53469 63.546000 Cu 0.480839 0.719131 2.95117e-16 237 63.546 4.62133e-05 -3.53536 63.546000 Cu 0.473251 0.734536 0.5 240 63.546 8.20466e-05 -3.53532 63.546000 Cu 0.550071 0.705688 2.91638e-16 206 63.546 1.83918e-05 -3.53502 63.546000 Cu 0.557677 0.69031 0.5 207 63.546 3.47896e-05 -3.53455 63.546000 Cu 0.61931 0.692239 2.03463e-16 209 63.546 0.000149777 -3.53421 63.546000 Cu 0.673241 0.709564 2.44131e-16 210 63.546 9.07774e-05 -3.53431 63.546000 Cu 0.680825 0.694154 0.5 211 63.546 9.81547e-05 -3.53419 63.546000 Cu 0.611673 0.707632 0.5 212 63.546 2.65463e-05 -3.53467 63.546000 Cu 0.74227 0.69605 1.37361e-16 213 63.546 5.64814e-06 -3.53406 63.546000 Cu 0.734775 0.711478 0.5 216 63.546 0.000119266 -3.53416 63.546000 Cu 0.534848 0.736475 2.51809e-16 238 63.546 1.97534e-05 -3.53519 63.546000 Cu 0.542432 0.721079 0.5 239 63.546 1.08019e-05 -3.53522 63.546000 Cu 0.604033 0.723022 1.14688e-16 241 63.546 7.70025e-06 -3.53488 63.546000 Cu 0.665634 0.724958 0.5 243 63.546 1.40143e-05 -3.53438 63.546000 Cu 0.727188 0.726885 2.4629e-16 245 63.546 4.02175e-05 -3.53408 63.546000 Cu 0.934384 0.686406 7.60585e-17 186 63.546 7.86231e-05 -3.53526 63.546000 Cu 0.872819 0.684455 0.5 188 63.546 9.96094e-05 -3.53466 63.546000 Cu 0.996022 0.688366 0.5 192 63.546 3.29333e-05 -3.53511 63.546000 Cu 0.796226 0.713376 2.4641e-16 214 63.546 9.97095e-06 -3.53407 63.546000 Cu 0.803717 0.697945 0.5 215 63.546 8.36155e-05 -3.53402 63.546000 Cu 0.865211 0.69986 3.09513e-17 217 63.546 0.00012704 -3.53461 63.546000 Cu 0.919245 0.717193 1.24405e-16 218 63.546 0.000102807 -3.53494 63.546000 Cu 0.926777 0.701799 0.5 219 63.546 8.09306e-05 -3.53528 63.546000 Cu 0.857692 0.715276 0.5 220 63.546 8.02685e-05 -3.53447 63.546000 Cu 0.988424 0.703743 1.01011e-16 221 63.546 1.30012e-05 -3.53541 63.546000 Cu 0.980839 0.719131 0.5 224 63.546 4.62133e-05 -3.53536 63.546000 Cu 0.788742 0.728798 0.5 247 63.546 7.75796e-05 -3.53414 63.546000 Cu 0.850251 0.730699 1.98304e-16 249 63.546 2.97899e-05 -3.53469 63.546000 Cu 0.911742 0.732608 0.5 251 63.546 4.37501e-05 -3.53518 63.546000 Cu 0.973251 0.734536 1.79949e-18 253 63.546 8.20466e-05 -3.53532 63.546000 Cu 0.0272732 0.751883 1.69272e-16 254 63.546 3.31668e-05 -3.5353 63.546000 Cu 0.0964406 0.738418 3.68896e-16 257 63.546 2.54914e-06 -3.53494 63.546000 Cu 0.150437 0.755754 2.1306e-16 258 63.546 2.85965e-06 -3.53474 63.546000 Cu 0.158028 0.740355 0.5 259 63.546 5.31647e-06 -3.5346 63.546000 Cu 0.0888409 0.753818 0.5 260 63.546 1.69015e-05 -3.53503 63.546000 Cu 0.2196 0.742283 3.31107e-17 261 63.546 5.62016e-06 -3.53426 63.546000 Cu 0.212022 0.757684 0.5 264 63.546 1.12601e-05 -3.53447 63.546000 Cu 0.0121567 0.782729 1.96864e-16 286 63.546 1.18946e-05 -3.53542 63.546000 Cu 0.0197088 0.767306 0.5 287 63.546 6.32691e-06 -3.53555 63.546000 Cu 0.081269 0.76923 9.98118e-17 289 63.546 1.75393e-05 -3.53548 63.546000 Cu 0.13528 0.78658 2.19298e-16 290 63.546 1.7376e-05 -3.53557 63.546000 Cu 0.142841 0.771159 0.5 291 63.546 2.27694e-05 -3.53512 63.546000 Cu 0.0737302 0.784654 0.5 292 63.546 1.08764e-05 -3.53563 63.546000 Cu 0.204419 0.773093 1.36282e-16 293 63.546 9.42001e-06 -3.53475 63.546000 Cu 0.196812 0.788511 0.5 296 63.546 2.01324e-05 -3.53518 63.546000 Cu 0.273567 0.759609 1.55956e-18 262 63.546 6.13866e-06 -3.53442 63.546000 Cu 0.281177 0.744202 0.5 263 63.546 2.35922e-05 -3.53427 63.546000 Cu 0.342711 0.746121 9.12942e-17 265 63.546 3.17703e-05 -3.53438 63.546000 Cu 0.396652 0.763456 7.88178e-17 266 63.546 1.1807e-05 -3.53472 63.546000 Cu 0.40423 0.748039 0.5 267 63.546 2.24505e-05 -3.53475 63.546000 Cu 0.335114 0.761532 0.5 268 63.546 6.45182e-06 -3.53437 63.546000 Cu 0.458188 0.765382 0.5 269 63.546 1.49318e-05 -3.53522 63.546000 Cu 0.465741 0.749956 4.79865e-18 270 63.546 1.41127e-05 -3.53507 63.546000 Cu 0.265967 0.775024 0.5 295 63.546 6.95736e-06 -3.53456 63.546000 Cu 0.327496 0.776949 2.46171e-16 297 63.546 1.72953e-06 -3.53475 63.546000 Cu 0.389018 0.778874 0.5 299 63.546 5.77303e-06 -3.53502 63.546000 Cu 0.450573 0.780802 2.44971e-16 301 63.546 1.2871e-05 -3.53525 63.546000 Cu 0.658028 0.740355 1.78989e-16 242 63.546 5.31647e-06 -3.5346 63.546000 Cu 0.596441 0.738418 0.5 244 63.546 2.54914e-06 -3.53494 63.546000 Cu 0.7196 0.742283 0.5 248 63.546 5.62016e-06 -3.53426 63.546000 Cu 0.519709 0.767306 2.41492e-16 271 63.546 6.32691e-06 -3.53555 63.546000 Cu 0.527273 0.751883 0.5 272 63.546 3.31668e-05 -3.5353 63.546000 Cu 0.588841 0.753818 2.02263e-16 273 63.546 1.69015e-05 -3.53503 63.546000 Cu 0.642841 0.771159 1.66633e-16 274 63.546 2.27694e-05 -3.53512 63.546000 Cu 0.650437 0.755754 0.5 275 63.546 2.85965e-06 -3.53474 63.546000 Cu 0.581269 0.76923 0.5 276 63.546 1.75393e-05 -3.53548 63.546000 Cu 0.712022 0.757684 1.94345e-16 277 63.546 1.12601e-05 -3.53447 63.546000 Cu 0.704419 0.773093 0.5 280 63.546 9.42001e-06 -3.53475 63.546000 Cu 0.512157 0.782729 0.5 304 63.546 1.18946e-05 -3.53542 63.546000 Cu 0.57373 0.784654 2.41012e-16 305 63.546 1.08764e-05 -3.53563 63.546000 Cu 0.63528 0.78658 0.5 307 63.546 1.7376e-05 -3.53557 63.546000 Cu 0.696812 0.788511 1 309 63.546 2.01324e-05 -3.53518 63.546000 Cu 0.781177 0.744202 1.23685e-16 246 63.546 2.35922e-05 -3.53427 63.546000 Cu 0.90423 0.748039 1.38441e-16 250 63.546 2.24505e-05 -3.53475 63.546000 Cu 0.842711 0.746121 0.5 252 63.546 3.17703e-05 -3.53438 63.546000 Cu 0.965741 0.749956 0.5 256 63.546 1.41127e-05 -3.53507 63.546000 Cu 0.765967 0.775024 1.4168e-16 278 63.546 6.95736e-06 -3.53456 63.546000 Cu 0.773567 0.759609 0.5 279 63.546 6.13866e-06 -3.53442 63.546000 Cu 0.835114 0.761532 3.68536e-16 281 63.546 6.45182e-06 -3.53437 63.546000 Cu 0.889018 0.778874 2.63086e-16 282 63.546 5.77303e-06 -3.53502 63.546000 Cu 0.896652 0.763456 0.5 283 63.546 1.1807e-05 -3.53472 63.546000 Cu 0.827496 0.776949 0.5 284 63.546 1.72953e-06 -3.53475 63.546000 Cu 0.958188 0.765382 1.23205e-16 285 63.546 1.49318e-05 -3.53522 63.546000 Cu 0.950573 0.780802 0.5 288 63.546 1.2871e-05 -3.53525 63.546000 Cu 0.00457485 0.798142 0.5 319 63.546 2.91671e-05 -3.53533 63.546000 Cu 0.0661539 0.800079 1.53917e-16 321 63.546 4.3141e-05 -3.53578 63.546000 Cu 0.120072 0.817448 2.26976e-16 322 63.546 6.58645e-05 -3.53594 63.546000 Cu 0.127702 0.802016 0.5 323 63.546 2.71081e-05 -3.53596 63.546000 Cu 0.0584964 0.815498 0.5 324 63.546 4.03141e-05 -3.53574 63.546000 Cu 0.189213 0.803948 1.53077e-16 325 63.546 3.55339e-06 -3.53553 63.546000 Cu 0.243128 0.821313 2.4917e-16 326 63.546 1.84621e-05 -3.53512 63.546000 Cu 0.181619 0.81939 0.5 328 63.546 5.84484e-05 -3.53569 63.546000 Cu 0.0507657 0.830903 3.43463e-16 353 63.546 3.82993e-05 -3.53511 63.546000 Cu 0.112383 0.832864 0.5 355 63.546 0.000107521 -3.53611 63.546000 Cu 0.17398 0.834822 1.95545e-16 357 63.546 0.000177466 -3.53685 63.546000 Cu 0.235525 0.836762 0.5 359 63.546 0.000134017 -3.53691 63.546000 Cu 0.258337 0.790443 2.4629e-16 294 63.546 7.96542e-06 -3.53456 63.546000 Cu 0.381402 0.794291 5.74638e-17 298 63.546 6.72834e-06 -3.53439 63.546000 Cu 0.319856 0.79237 0.5 300 63.546 7.09813e-06 -3.53427 63.546000 Cu 0.442979 0.796213 0.5 302 63.546 7.72205e-06 -3.53482 63.546000 Cu 0.250712 0.805873 0.5 327 63.546 1.54327e-05 -3.53464 63.546000 Cu 0.312228 0.807789 2.71603e-16 329 63.546 2.35523e-05 -3.53385 63.546000 Cu 0.366091 0.825119 2.26736e-17 330 63.546 9.17804e-05 -3.53372 63.546000 Cu 0.373774 0.809701 0.5 331 63.546 2.90046e-05 -3.53374 63.546000 Cu 0.304613 0.82322 0.5 332 63.546 3.42239e-05 -3.53433 63.546000 Cu 0.435337 0.81162 1.08089e-16 333 63.546 3.79563e-05 -3.53432 63.546000 Cu 0.427601 0.827028 0.5 334 63.546 8.75806e-05 -3.53366 63.546000 Cu 0.489161 0.828955 1.26684e-16 335 63.546 4.01033e-05 -3.53419 63.546000 Cu 0.496913 0.813553 0.5 336 63.546 3.08885e-05 -3.53516 63.546000 Cu 0.297001 0.838674 3.80653e-16 361 63.546 3.38175e-05 -3.53599 63.546000 Cu 0.358431 0.840564 0.5 363 63.546 8.7155e-05 -3.53443 63.546000 Cu 0.504575 0.798142 9.58529e-17 303 63.546 2.91671e-05 -3.53533 63.546000 Cu 0.627702 0.802016 7.50988e-17 306 63.546 2.71081e-05 -3.53596 63.546000 Cu 0.566154 0.800079 0.5 308 63.546 4.3141e-05 -3.53578 63.546000 Cu 0.689213 0.803948 0.5 312 63.546 3.55339e-06 -3.53553 63.546000 Cu 0.558496 0.815498 2.45331e-16 337 63.546 4.03141e-05 -3.53574 63.546000 Cu 0.612383 0.832864 1.30163e-16 338 63.546 0.000107521 -3.53611 63.546000 Cu 0.620072 0.817448 0.5 339 63.546 6.58645e-05 -3.53594 63.546000 Cu 0.550766 0.830903 0.5 340 63.546 3.82993e-05 -3.53511 63.546000 Cu 0.681619 0.81939 1.23685e-16 341 63.546 5.84484e-05 -3.53569 63.546000 Cu 0.735525 0.836762 2.45931e-16 342 63.546 0.000134017 -3.53691 63.546000 Cu 0.743128 0.821313 0.5 343 63.546 1.84621e-05 -3.53512 63.546000 Cu 0.67398 0.834822 0.5 344 63.546 0.000177466 -3.53685 63.546000 Cu 0.750712 0.805873 1.15647e-16 310 63.546 1.54327e-05 -3.53464 63.546000 Cu 0.758337 0.790443 0.5 311 63.546 7.96542e-06 -3.53456 63.546000 Cu 0.819856 0.79237 3.34106e-16 313 63.546 7.09813e-06 -3.53427 63.546000 Cu 0.873774 0.809701 3.9025e-16 314 63.546 2.90046e-05 -3.53374 63.546000 Cu 0.881402 0.794291 0.5 315 63.546 6.72834e-06 -3.53439 63.546000 Cu 0.812228 0.807789 0.5 316 63.546 2.35523e-05 -3.53385 63.546000 Cu 0.942979 0.796213 3.68416e-16 317 63.546 7.72205e-06 -3.53482 63.546000 Cu 0.996913 0.813553 1.72391e-16 318 63.546 3.08885e-05 -3.53516 63.546000 Cu 0.935337 0.81162 0.5 320 63.546 3.79563e-05 -3.53432 63.546000 Cu 0.804613 0.82322 1.23805e-16 345 63.546 3.42239e-05 -3.53433 63.546000 Cu 0.858431 0.840564 1.47078e-16 346 63.546 8.7155e-05 -3.53443 63.546000 Cu 0.866091 0.825119 0.5 347 63.546 9.17804e-05 -3.53372 63.546000 Cu 0.797001 0.838674 0.5 348 63.546 3.38175e-05 -3.53599 63.546000 Cu 0.927601 0.827028 2.46171e-16 349 63.546 8.75806e-05 -3.53366 63.546000 Cu 0.989161 0.828955 0.5 351 63.546 4.01033e-05 -3.53419 63.546000 Cu 0.104564 0.848259 2.01063e-16 354 63.546 9.00939e-05 -3.53565 63.546000 Cu 0.0429362 0.846292 0.5 356 63.546 0.000108092 -3.53368 63.546000 Cu 0.227869 0.852202 3.46702e-17 358 63.546 0.000467004 -3.53825 63.546000 Cu 0.166226 0.850237 0.5 360 63.546 0.000293985 -3.53753 63.546000 Cu 0.0350036 0.861682 1.23325e-16 385 63.546 0.000620402 -3.53211 63.546000 Cu 0.0885514 0.878982 2.79401e-16 386 63.546 0.00155377 -3.53305 63.546000 Cu 0.0965876 0.863627 0.5 387 63.546 0.000243619 -3.53453 63.546000 Cu 0.0270728 0.877107 0.5 388 63.546 0.00157848 -3.53133 63.546000 Cu 0.158337 0.865605 1.32323e-16 389 63.546 0.000242754 -3.53719 63.546000 Cu 0.212349 0.882916 2.79761e-16 390 63.546 0.000493381 -3.53688 63.546000 Cu 0.220157 0.867596 0.5 391 63.546 0.000696068 -3.53859 63.546000 Cu 0.150355 0.880917 0.5 392 63.546 0.000513335 -3.53528 63.546000 Cu 0.0193288 0.892595 1.22845e-16 417 63.546 0.00219768 -3.53205 63.546000 Cu 0.0806754 0.894351 0.5 419 63.546 0.00390088 -3.53034 63.546000 Cu 0.35089 0.856033 2.73043e-16 362 63.546 8.18578e-05 -3.53484 63.546000 Cu 0.289436 0.854137 0.5 364 63.546 0.000340627 -3.53722 63.546000 Cu 0.419872 0.842449 1.23565e-16 365 63.546 0.000256938 -3.53302 63.546000 Cu 0.412249 0.857903 0.5 366 63.546 0.000258241 -3.53234 63.546000 Cu 0.473583 0.859777 1.08209e-16 367 63.546 0.000680932 -3.53121 63.546000 Cu 0.481367 0.844354 0.5 368 63.546 0.000266764 -3.53264 63.546000 Cu 0.281907 0.869574 5.61442e-17 393 63.546 0.0010419 -3.53797 63.546000 Cu 0.335936 0.886992 1.23925e-16 394 63.546 0.00268848 -3.5371 63.546000 Cu 0.343444 0.871514 0.5 395 63.546 0.000773038 -3.5356 63.546000 Cu 0.274289 0.884957 0.5 396 63.546 0.0019929 -3.53745 63.546000 Cu 0.404728 0.873406 7.19797e-19 397 63.546 0.000280935 -3.53278 63.546000 Cu 0.458255 0.890822 1.91946e-16 398 63.546 0.000498516 -3.53409 63.546000 Cu 0.397213 0.88896 0.5 399 63.546 0.00130671 -3.53594 63.546000 Cu 0.465862 0.87526 0.5 400 63.546 0.000621531 -3.53114 63.546000 Cu 0.542936 0.846292 7.04201e-17 369 63.546 0.000108092 -3.53368 63.546000 Cu 0.596588 0.863627 1.65433e-16 370 63.546 0.000243619 -3.53453 63.546000 Cu 0.604564 0.848259 0.5 371 63.546 9.00939e-05 -3.53565 63.546000 Cu 0.535004 0.861682 0.5 372 63.546 0.000620402 -3.53211 63.546000 Cu 0.666226 0.850237 1.69392e-16 373 63.546 0.000293985 -3.53753 63.546000 Cu 0.720157 0.867596 2.45811e-16 374 63.546 0.000696068 -3.53859 63.546000 Cu 0.727869 0.852202 0.5 375 63.546 0.000467004 -3.53825 63.546000 Cu 0.658337 0.865605 0.5 376 63.546 0.000242754 -3.53719 63.546000 Cu 0.527073 0.877107 2.28655e-16 401 63.546 0.00157848 -3.53133 63.546000 Cu 0.580675 0.894351 3.80173e-16 402 63.546 0.00390088 -3.53034 63.546000 Cu 0.588551 0.878982 0.5 403 63.546 0.00155377 -3.53305 63.546000 Cu 0.519329 0.892595 0.5 404 63.546 0.00219768 -3.53205 63.546000 Cu 0.650355 0.880917 3.1851e-16 405 63.546 0.000513335 -3.53528 63.546000 Cu 0.712349 0.882916 0.5 407 63.546 0.000493381 -3.53688 63.546000 Cu 0.981367 0.844354 8.56558e-17 350 63.546 0.000266764 -3.53264 63.546000 Cu 0.919872 0.842449 0.5 352 63.546 0.000256938 -3.53302 63.546000 Cu 0.789436 0.854137 1.23445e-16 377 63.546 0.000340627 -3.53722 63.546000 Cu 0.843444 0.871514 2.45811e-16 378 63.546 0.000773038 -3.5356 63.546000 Cu 0.85089 0.856033 0.5 379 63.546 8.18578e-05 -3.53484 63.546000 Cu 0.781907 0.869574 0.5 380 63.546 0.0010419 -3.53797 63.546000 Cu 0.912249 0.857903 2.43051e-16 381 63.546 0.000258241 -3.53234 63.546000 Cu 0.965862 0.87526 2.56488e-16 382 63.546 0.000621531 -3.53114 63.546000 Cu 0.973583 0.859777 0.5 383 63.546 0.000680932 -3.53121 63.546000 Cu 0.904728 0.873406 0.5 384 63.546 0.000280935 -3.53278 63.546000 Cu 0.774289 0.884957 3.36985e-16 409 63.546 0.0019929 -3.53745 63.546000 Cu 0.835936 0.886992 0.5 411 63.546 0.00268848 -3.5371 63.546000 Cu 0.897213 0.88896 2.20738e-16 413 63.546 0.00130671 -3.53594 63.546000 Cu 0.958255 0.890822 0.5 415 63.546 0.000498516 -3.53409 63.546000 Cu 0.0732629 0.909775 2.45811e-16 418 63.546 0.00469653 -3.52824 63.546000 Cu 0.0120172 0.90815 0.5 420 63.546 0.00214148 -3.53614 63.546000 Cu 0.142405 0.896183 3.1791e-17 421 63.546 0.00269823 -3.52961 63.546000 Cu 0.196252 0.91337 1.23565e-16 422 63.546 0.00912376 -3.51897 63.546000 Cu 0.204392 0.898156 0.5 423 63.546 0.00130269 -3.53015 63.546000 Cu 0.134675 0.911462 0.5 424 63.546 0.00933722 -3.52056 63.546000 Cu 0.00536752 0.92374 2.79521e-16 449 63.546 0.00517867 -3.54302 63.546000 Cu 0.0607881 0.940966 1.23205e-16 450 63.546 0.0282238 -3.51408 63.546000 Cu 0.0666175 0.9253 0.5 451 63.546 0.00404186 -3.52548 63.546000 Cu 0.127383 0.92689 2.59487e-16 453 63.546 0.0220939 -3.50769 63.546000 Cu 0.178895 0.944483 1.23325e-16 454 63.546 0.0365619 -3.49301 63.546000 Cu 0.187806 0.928707 0.5 455 63.546 0.0291485 -3.50277 63.546000 Cu 0.120505 0.942643 0.5 456 63.546 0.0527859 -3.48096 63.546000 Cu 0.238333 0.946238 0.5 460 63.546 0.0714334 -3.52092 63.546000 Cu 0.248502 0.930832 5.99831e-19 457 63.546 0.011096 -3.52632 63.546000 Cu 0.266372 0.900269 1.0797e-18 425 63.546 0.00253969 -3.53331 63.546000 Cu 0.319602 0.917807 6.09428e-17 426 63.546 0.00441377 -3.54329 63.546000 Cu 0.328101 0.902438 0.5 427 63.546 0.00452287 -3.53911 63.546000 Cu 0.257858 0.915527 0.5 428 63.546 0.00308726 -3.52769 63.546000 Cu 0.389558 0.904529 2.75922e-17 429 63.546 0.00541878 -3.54349 63.546000 Cu 0.443659 0.922005 1 430 63.546 0.0151591 -3.55396 63.546000 Cu 0.450822 0.906434 0.5 431 63.546 0.00361779 -3.54222 63.546000 Cu 0.381598 0.920011 0.5 432 63.546 0.0141105 -3.55402 63.546000 Cu 0.310233 0.933033 0.5 459 63.546 0.011399 -3.54572 63.546000 Cu 0.373312 0.935234 1.70592e-16 461 63.546 0.0207646 -3.55605 63.546000 Cu 0.436702 0.937355 0.5 463 63.546 0.032746 -3.55994 63.546000 Cu 0.499508 0.939279 1.22485e-16 465 63.546 0.0267775 -3.54804 63.546000 Cu 0.704392 0.898156 3.15751e-16 406 63.546 0.00130269 -3.53015 63.546000 Cu 0.642405 0.896183 0.5 408 63.546 0.00269823 -3.52961 63.546000 Cu 0.512017 0.90815 2.109e-16 433 63.546 0.00214148 -3.53614 63.546000 Cu 0.566618 0.9253 9.5493e-17 434 63.546 0.00404186 -3.52548 63.546000 Cu 0.573263 0.909775 0.5 435 63.546 0.00469653 -3.52824 63.546000 Cu 0.505368 0.92374 0.5 436 63.546 0.00517867 -3.54302 63.546000 Cu 0.634675 0.911462 2.4701e-16 437 63.546 0.00933722 -3.52056 63.546000 Cu 0.687806 0.928707 2.22177e-16 438 63.546 0.0291485 -3.50277 63.546000 Cu 0.696252 0.91337 0.5 439 63.546 0.00912376 -3.51897 63.546000 Cu 0.627383 0.92689 0.5 440 63.546 0.0220939 -3.50769 63.546000 Cu 0.560788 0.940966 0.5 467 63.546 0.0282238 -3.51408 63.546000 Cu 0.620505 0.942643 3.65897e-17 469 63.546 0.0527859 -3.48096 63.546000 Cu 0.678895 0.944483 0.5 471 63.546 0.0365619 -3.49301 63.546000 Cu 0.738333 0.946238 6.32222e-17 473 63.546 0.0714334 -3.52092 63.546000 Cu 0.748502 0.930832 0.5 444 63.546 0.011096 -3.52632 63.546000 Cu 0.828101 0.902438 3.77054e-16 410 63.546 0.00452287 -3.53911 63.546000 Cu 0.766372 0.900269 0.5 412 63.546 0.00253969 -3.53331 63.546000 Cu 0.950822 0.906434 1.91586e-16 414 63.546 0.00361779 -3.54222 63.546000 Cu 0.889558 0.904529 0.5 416 63.546 0.00541878 -3.54349 63.546000 Cu 0.757858 0.915527 3.59898e-19 441 63.546 0.00308726 -3.52769 63.546000 Cu 0.810233 0.933033 2.4821e-16 442 63.546 0.011399 -3.54572 63.546000 Cu 0.819602 0.917807 0.5 443 63.546 0.00441377 -3.54329 63.546000 Cu 0.881598 0.920011 2.8444e-16 445 63.546 0.0141105 -3.55402 63.546000 Cu 0.936702 0.937355 1.80909e-16 446 63.546 0.032746 -3.55994 63.546000 Cu 0.943659 0.922005 0.5 447 63.546 0.0151591 -3.55396 63.546000 Cu 0.873312 0.935234 0.5 448 63.546 0.0207646 -3.55605 63.546000 Cu 0.999508 0.939279 0.5 452 63.546 0.0267775 -3.54804 63.546000 Cu 0.029367 0.99337 0.5 532 63.546 8.2185 -3.90281 63.546000 Cu 0.0485462 0.973476 3.11072e-16 482 63.546 1.01944 -3.31964 63.546000 Cu 0.0556061 0.956856 0.5 483 63.546 0.232896 -3.45688 63.546000 Cu 0.112853 0.95906 2.45691e-16 485 63.546 0.0653036 -3.43862 63.546000 Cu 0.161979 0.977264 1.39521e-16 486 63.546 0.211289 -3.54131 63.546000 Cu 0.169574 0.960876 0.5 487 63.546 0.10615 -3.51197 63.546000 Cu 0.102296 0.976634 0.5 488 63.546 0.512583 -3.45974 63.546000 Cu 0.229272 0.961882 2.00463e-16 489 63.546 0.130244 -3.52391 63.546000 Cu 0.223577 0.977643 0.5 492 63.546 0.0874834 -3.53047 63.546000 Cu 0.0931113 0.993287 1.60755e-16 516 63.546 1.90745 -3.66791 63.546000 Cu 0.158902 0.993294 0.5 517 63.546 0.200428 -3.53919 63.546000 Cu 0.221679 0.993296 3.52101e-16 518 63.546 0.0550373 -3.52769 63.546000 Cu 0.300708 0.948088 1.09169e-16 458 63.546 0.0417262 -3.54122 63.546000 Cu 0.42986 0.952259 3.87251e-16 462 63.546 0.0370045 -3.53564 63.546000 Cu 0.364597 0.950031 0.5 464 63.546 0.0196232 -3.53578 63.546000 Cu 0.493899 0.954629 0.5 468 63.546 0.122319 -3.53336 63.546000 Cu 0.285311 0.977918 3.67216e-16 490 63.546 0.152219 -3.49637 63.546000 Cu 0.291419 0.962847 0.5 491 63.546 0.152846 -3.49363 63.546000 Cu 0.356897 0.964542 3.21869e-16 493 63.546 0.0470439 -3.51103 63.546000 Cu 0.416633 0.980745 1.3405e-15 494 63.546 4.47871 -3.34391 63.546000 Cu 0.421586 0.966538 0.5 495 63.546 0.0551896 -3.46952 63.546000 Cu 0.347723 0.978425 0.5 496 63.546 0.43991 -3.39346 63.546000 Cu 0.488496 0.969465 3.62178e-16 497 63.546 1.08868 -3.35333 63.546000 Cu 0.47804 0.983467 0.5 500 63.546 9.1739 -3.052 63.546000 Cu 0.283323 0.993306 0.5 519 63.546 0.0700242 -3.51285 63.546000 Cu 0.34396 0.993321 9.04065e-16 520 63.546 0.598641 -3.41905 63.546000 Cu 0.403908 0.993346 0.5 521 63.546 6.4285 -2.77114 63.546000 Cu 0.529367 0.99337 1.22485e-16 523 63.546 8.2185 -3.90281 63.546000 Cu 0.555606 0.956856 6.99403e-17 466 63.546 0.232896 -3.45688 63.546000 Cu 0.669574 0.960876 1.4192e-16 470 63.546 0.10615 -3.51197 63.546000 Cu 0.612853 0.95906 0.5 472 63.546 0.0653036 -3.43862 63.546000 Cu 0.729272 0.961882 0.5 476 63.546 0.130244 -3.52391 63.546000 Cu 0.548546 0.973476 0.5 499 63.546 1.01944 -3.31964 63.546000 Cu 0.602296 0.976634 1.4012e-16 501 63.546 0.512583 -3.45974 63.546000 Cu 0.658902 0.993294 5.27851e-17 502 63.546 0.200428 -3.53919 63.546000 Cu 0.661979 0.977264 0.5 503 63.546 0.211289 -3.54131 63.546000 Cu 0.593111 0.993287 0.5 504 63.546 1.90745 -3.66791 63.546000 Cu 0.723577 0.977643 1.29443e-16 505 63.546 0.0874834 -3.53047 63.546000 Cu 0.721679 0.993296 0.5 508 63.546 0.0550373 -3.52769 63.546000 Cu 0.791419 0.962847 2.05142e-16 474 63.546 0.152846 -3.49363 63.546000 Cu 0.800708 0.948088 0.5 475 63.546 0.0417262 -3.54122 63.546000 Cu 0.864597 0.950031 1.4204e-16 477 63.546 0.0196232 -3.53578 63.546000 Cu 0.921586 0.966538 4.11604e-16 478 63.546 0.0551896 -3.46952 63.546000 Cu 0.92986 0.952259 0.5 479 63.546 0.0370045 -3.53564 63.546000 Cu 0.856897 0.964542 0.5 480 63.546 0.0470439 -3.51103 63.546000 Cu 0.993899 0.954629 1.22725e-16 481 63.546 0.122319 -3.53336 63.546000 Cu 0.988496 0.969465 0.5 484 63.546 1.08868 -3.35333 63.546000 Cu 0.783323 0.993306 5.91433e-17 506 63.546 0.0700242 -3.51285 63.546000 Cu 0.785311 0.977918 0.5 507 63.546 0.152219 -3.49637 63.546000 Cu 0.847723 0.978425 1.21046e-16 509 63.546 0.43991 -3.39346 63.546000 Cu 0.903908 0.993346 8.57758e-16 510 63.546 6.4285 -2.77114 63.546000 Cu 0.916633 0.980745 0.5 511 63.546 4.47871 -3.34391 63.546000 Cu 0.84396 0.993321 0.5 512 63.546 0.598641 -3.41905 63.546000 Cu 0.97804 0.983467 3.67216e-16 513 63.546 9.1739 -3.052