t(ps) T1(K) T2(k) rpps0 rpps1 rpps2 Egear(ev) Evdw(ev) 40.500 301.32 .00 .2050 .0491 .0535 -6.6844 -.7531 41.000 299.68 .00 .2100 .0525 .0552 -6.6844 -.7121 41.500 300.20 .00 .2150 .0562 .0537 -6.6847 -.7149 42.000 300.50 .00 .2200 .0612 .0534 -6.6847 -.7464 42.500 300.19 .00 .2250 .0625 .0495 -6.6845 -.7090 43.000 300.29 .00 .2300 .0655 .0500 -6.6846 -.7126 43.500 300.40 .00 .2350 .0584 .0594 -6.6849 -.6602 44.000 300.34 .00 .2400 .0551 .0641 -6.6852 -.7013 44.500 300.00 .00 .2450 .0545 .0673 -6.6850 -.6850 45.000 299.57 .00 .2500 .0622 .0581 -6.6852 -.6471 45.500 299.91 .00 .2550 .0605 .0590 -6.6855 -.7385 46.000 300.21 .00 .2600 .0576 .0600 -6.6852 -.6329 46.500 300.09 .00 .2650 .0595 .0589 -6.6854 -.6973 47.000 300.32 .00 .2700 .0596 .0587 -6.6852 -.7218 47.500 299.28 .00 .2750 .0657 .0499 -6.6848 -.5959 48.000 300.05 .00 .2800 .0585 .0557 -6.6851 -.6681 48.500 299.37 .00 .2850 .0585 .0573 -6.6856 -.6137 49.000 300.65 .00 .2900 .0521 .0636 -6.6857 -.7531 49.500 300.39 .00 .2950 .0560 .0623 -6.6856 -.7157 50.000 300.24 .00 .3000 .0634 .0562 -6.6853 -.6263 50.500 301.11 .00 .3000 .0564 .0600 -6.6855 -.5889 51.000 299.12 .00 .3000 .0570 .0607 -6.6854 -.6760 51.500 299.55 .00 .3000 .0465 .0627 -6.6858 -.7769 52.000 300.25 .00 .3000 .0502 .0526 -6.6859 -.6667 52.500 300.29 .00 .3000 .0518 .0425 -6.6854 -.5888 53.000 300.70 .00 .3000 .0526 .0465 -6.6854 -.5702 53.500 299.38 .00 .3000 .0627 .0549 -6.6856 -.6692 54.000 299.40 .00 .3000 .0523 .0579 -6.6860 -.7789 54.500 300.34 .00 .3000 .0529 .0602 -6.6861 -.7030 55.000 300.26 .00 .3000 .0535 .0611 -6.6859 -.5954 55.500 300.33 .00 .3000 .0572 .0635 -6.6863 -.7811 56.000 299.58 .00 .3000 .0586 .0661 -6.6859 -.7267 56.500 300.05 .00 .3000 .0577 .0646 -6.6862 -.7761 57.000 299.95 .00 .3000 .0643 .0559 -6.6863 -.6416 57.500 300.97 .00 .3000 .0660 .0509 -6.6859 -.6112 58.000 300.55 .00 .3000 .0707 .0546 -6.6863 -.7300 58.500 299.50 .00 .3000 .0706 .0607 -6.6861 -.6819 59.000 299.76 .00 .3000 .0621 .0648 -6.6861 -.8124 59.500 300.21 .00 .3000 .0596 .0661 -6.6862 -.7008 60.000 300.65 .00 .3000 .0571 .0683 -6.6862 -.6982 60.500 300.35 .00 .3000 .0561 .0688 -6.6863 -.7076 61.000 300.09 .00 .3000 .0544 .0660 -6.6862 -.7145 61.500 300.35 .00 .3000 .0566 .0612 -6.6857 -.6081 62.000 298.41 .00 .3000 .0724 .0386 -6.6856 -.6142 62.500 299.89 .00 .3000 .0585 .0403 -6.6865 -.7088 63.000 301.30 .00 .3000 .0568 .0489 -6.6861 -.6740 63.500 300.74 .00 .3000 .0573 .0584 -6.6860 -.5627 64.000 300.39 .00 .3000 .0531 .0683 -6.6862 -.7972 64.500 299.59 .00 .3000 .0552 .0646 -6.6862 -.6706 65.000 299.97 .00 .3000 .0465 .0679 -6.6862 -.7604 65.500 300.22 .00 .3000 .0455 .0643 -6.6863 -.7215 66.000 300.09 .00 .3000 .0459 .0594 -6.6861 -.5789 66.500 300.40 .00 .3000 .0572 .0486 -6.6860 -.7174 67.000 299.62 .00 .3000 .0721 .0312 -6.6859 -.5961 67.500 300.53 .00 .3000 .0633 .0312 -6.6859 -.6909 68.000 300.53 .00 .3000 .0628 .0442 -6.6855 -.7002 68.500 300.75 .00 .3000 .0542 .0609 -6.6862 -.6778 69.000 300.04 .00 .3000 .0522 .0734 -6.6868 -.6913 69.500 299.77 .00 .3000 .0507 .0778 -6.6866 -.6707 70.000 299.99 .00 .3000 .0502 .0794 -6.6870 -.7734 70.500 300.06 .00 .3000 .0523 .0775 -6.6867 -.6320 71.000 299.97 .00 .3000 .0599 .0681 -6.6862 -.6805 71.500 299.86 .00 .3000 .0764 .0521 -6.6869 -.6956 72.000 299.61 .00 .3000 .0863 .0405 -6.6866 -.6802 72.500 300.61 .00 .3000 .0797 .0486 -6.6865 -.7351 73.000 300.17 .00 .3000 .0735 .0614 -6.6868 -.5905 73.500 300.80 .00 .3000 .0625 .0745 -6.6865 -.7368 74.000 300.09 .00 .3000 .0618 .0765 -6.6868 -.6913 74.500 300.14 .00 .3000 .0573 .0791 -6.6872 -.7248 75.000 300.43 .00 .3000 .0512 .0777 -6.6867 -.6277 75.500 299.14 .00 .3000 .0573 .0706 -6.6864 -.6363 76.000 300.17 .00 .3000 .0561 .0649 -6.6860 -.7783 76.500 299.19 .00 .3000 .0684 .0549 -6.6869 -.6394 77.000 300.46 .00 .3000 .0703 .0526 -6.6869 -.6546 77.500 300.46 .00 .3000 .0721 .0503 -6.6864 -.6879 78.000 300.28 .00 .3000 .0705 .0498 -6.6868 -.6979 78.500 300.29 .00 .3000 .0652 .0528 -6.6862 -.7448 79.000 300.15 .00 .3000 .0618 .0519 -6.6859 -.5250 79.500 300.69 .00 .3000 .0506 .0638 -6.6863 -.6105 80.000 299.74 .00 .3000 .0541 .0663 -6.6866 -.6637