t(ps) T1(K) T2(k) rpps0 rpps1 rpps2 Egear(ev) Evdw(ev) .500 302.42 .00 .0100 .0189 .0176 -6.6518 -.7017 1.000 294.29 .00 .0200 .0256 .0169 -6.6514 -.7032 1.500 300.17 .00 .0300 .0278 .0197 -6.6534 -.6061 2.000 294.29 .00 .0400 .0245 .0221 -6.6517 -.5346 2.500 295.81 .00 .0500 .0281 .0273 -6.6500 -.6513 3.000 295.33 .00 .0600 .0347 .0292 -6.6501 -.6371 3.500 298.73 .00 .0700 .0395 .0358 -6.6512 -.7059 4.000 294.44 .00 .0800 .0398 .0352 -6.6509 -.6877 4.500 298.49 .00 .0900 .0368 .0374 -6.6510 -.6482 5.000 300.50 .00 .1000 .0382 .0461 -6.6533 -.7124 5.500 297.33 .00 .1100 .0377 .0551 -6.6548 -.7728 6.000 299.97 .00 .1200 .0372 .0549 -6.6534 -.6204 6.500 299.38 .00 .1300 .0454 .0509 -6.6540 -.6895 7.000 300.88 .00 .1400 .0629 .0376 -6.6549 -.7339 7.500 297.02 .00 .1500 .0691 .0332 -6.6535 -.4370 8.000 299.06 .00 .1600 .0608 .0443 -6.6571 -.7318 8.500 301.52 .00 .1700 .0504 .0610 -6.6611 -.6918 9.000 301.24 .00 .1800 .0468 .0672 -6.6622 -.7238 9.500 298.58 .00 .1900 .0512 .0725 -6.6636 -.7635 10.000 301.16 .00 .2000 .0582 .0677 -6.6632 -.6926 10.500 305.74 .00 .2000 .0631 .0638 -6.6632 -.7139 11.000 299.83 .00 .2000 .0608 .0603 -6.6640 -.7583 11.500 297.81 .00 .2000 .0580 .0584 -6.6646 -.7231 12.000 299.95 .00 .2000 .0591 .0543 -6.6638 -.6417 12.500 298.38 .00 .2000 .0640 .0380 -6.6648 -.6480 13.000 297.89 .00 .2000 .0596 .0394 -6.6664 -.6530 13.500 300.66 .00 .2000 .0443 .0507 -6.6701 -.7693 14.000 302.04 .00 .2000 .0365 .0543 -6.6697 -.6271 14.500 298.61 .00 .2000 .0344 .0601 -6.6701 -.6996 15.000 299.25 .00 .2000 .0504 .0506 -6.6700 -.7246 15.500 298.78 .00 .2000 .0478 .0466 -6.6711 -.6873 16.000 299.23 .00 .2000 .0510 .0505 -6.6716 -.7350 16.500 300.43 .00 .2000 .0525 .0509 -6.6723 -.6096 17.000 301.88 .00 .2000 .0545 .0503 -6.6721 -.6938 17.500 298.52 .00 .2000 .0586 .0497 -6.6719 -.7658 18.000 298.96 .00 .2000 .0551 .0495 -6.6737 -.6748 18.500 297.83 .00 .2000 .0570 .0443 -6.6734 -.6222 19.000 298.46 .00 .2000 .0502 .0540 -6.6743 -.7234 19.500 298.49 .00 .2000 .0460 .0546 -6.6757 -.6279 20.000 296.36 .00 .2000 .0443 .0549 -6.6760 -.7270 20.500 299.66 .00 .2000 .0445 .0515 -6.6751 -.6733 21.000 299.31 .00 .2000 .0488 .0404 -6.6758 -.6917 21.500 301.01 .00 .2000 .0448 .0409 -6.6754 -.7800 22.000 300.21 .00 .2000 .0439 .0435 -6.6777 -.6990 22.500 302.31 .00 .2000 .0387 .0464 -6.6769 -.5808 23.000 301.57 .00 .2000 .0387 .0456 -6.6767 -.6976 23.500 298.20 .00 .2000 .0532 .0428 -6.6777 -.7954 24.000 299.50 .00 .2000 .0517 .0407 -6.6778 -.7124 24.500 302.90 .00 .2000 .0496 .0397 -6.6775 -.5973 25.000 300.23 .00 .2000 .0490 .0445 -6.6788 -.7301 25.500 301.77 .00 .2000 .0388 .0536 -6.6790 -.7194 26.000 296.21 .00 .2000 .0338 .0553 -6.6797 -.6494 26.500 302.33 .00 .2000 .0385 .0516 -6.6798 -.7147 27.000 300.07 .00 .2000 .0476 .0396 -6.6797 -.6573 27.500 298.57 .00 .2000 .0513 .0337 -6.6797 -.6676 28.000 301.43 .00 .2000 .0530 .0369 -6.6807 -.6473 28.500 299.86 .00 .2000 .0493 .0486 -6.6804 -.6501 29.000 300.99 .00 .2000 .0427 .0514 -6.6808 -.6585 29.500 299.14 .00 .2000 .0454 .0532 -6.6816 -.7399 30.000 302.18 .00 .2000 .0454 .0533 -6.6814 -.6417 30.500 299.31 .00 .2000 .0474 .0464 -6.6809 -.6562 31.000 299.70 .00 .2000 .0465 .0467 -6.6819 -.7873 31.500 301.54 .00 .2000 .0438 .0464 -6.6815 -.6916 32.000 298.00 .00 .2000 .0429 .0421 -6.6816 -.5753 32.500 300.55 .00 .2000 .0402 .0440 -6.6822 -.7094 33.000 299.65 .00 .2000 .0503 .0397 -6.6824 -.7355 33.500 298.50 .00 .2000 .0546 .0329 -6.6820 -.6251 34.000 299.88 .00 .2000 .0454 .0374 -6.6822 -.6935 34.500 300.91 .00 .2000 .0462 .0458 -6.6832 -.6922 35.000 299.45 .00 .2000 .0359 .0562 -6.6834 -.6825 35.500 299.35 .00 .2000 .0332 .0571 -6.6834 -.6576 36.000 300.43 .00 .2000 .0399 .0530 -6.6838 -.7549 36.500 300.25 .00 .2000 .0484 .0440 -6.6832 -.7376 37.000 299.68 .00 .2000 .0530 .0357 -6.6838 -.6414 37.500 300.64 .00 .2000 .0546 .0384 -6.6838 -.7061 38.000 301.19 .00 .2000 .0506 .0444 -6.6840 -.6705 38.500 299.76 .00 .2000 .0447 .0459 -6.6842 -.7046 39.000 300.46 .00 .2000 .0440 .0525 -6.6842 -.8022 39.500 300.05 .00 .2000 .0481 .0510 -6.6842 -.6848 40.000 299.99 .00 .2000 .0463 .0506 -6.6844 -.6718