t(ps) T1(K) T2(k) rpps0 rpps1 rpps2 Egear(ev) Evdw(ev) 50.500 3162.65 .00 .2050 .0231 .0010 -6.2957 -.6779 51.000 3142.65 .00 .2100 .0260 .0005 -6.2979 -.6377 51.500 3166.23 .00 .2150 .0243 .0079 -6.2947 -.7919 52.000 3209.77 .00 .2200 .0215 .0192 -6.2896 -.6962 52.500 3252.09 .00 .2250 .0130 .0325 -6.2848 -.7486 53.000 3288.05 .00 .2300 .0090 .0346 -6.2796 -.6702 53.500 3324.47 .00 .2350 .0109 .0318 -6.2752 -.5995 54.000 3332.17 .00 .2400 .0156 .0274 -6.2734 -.7462 54.500 3329.79 .00 .2450 .0246 .0261 -6.2750 -.6920 55.000 3383.05 .00 .2500 .0370 .0241 -6.2690 -.7384 55.500 3400.57 .00 .2550 .0407 .0228 -6.2647 -.7246 56.000 3456.90 .00 .2600 .0358 .0226 -6.2577 -.6170 56.500 3472.04 .00 .2650 .0337 .0227 -6.2554 -.7160 57.000 3594.56 .00 .2700 .0371 .0261 -6.2405 -.7211 57.500 3595.02 .00 .2750 .0353 .0321 -6.2404 -.6832 58.000 3607.91 .00 .2800 .0290 .0409 -6.2391 -.7153 58.500 3675.37 .00 .2850 .0271 .0426 -6.2311 -.5523 59.000 3770.95 .00 .2900 .0297 .0445 -6.2175 -.6708 59.500 3667.54 .00 .2950 .0330 .0477 -6.2311 -.6880 60.000 3692.69 .00 .3000 .0388 .0440 -6.2282 -.7194 60.500 3890.41 .00 .3000 .0426 .0367 -6.2028 -.6713 61.000 3761.46 .00 .3000 .0477 .0318 -6.2183 -.6922 61.500 3850.42 .00 .3000 .0508 .0292 -6.2071 -.7754 62.000 3908.48 .00 .3000 .0486 .0273 -6.1997 -.6981 62.500 3897.91 .00 .3000 .0369 .0344 -6.2020 -.7107 63.000 4100.37 .00 .3000 .0255 .0481 -6.1749 -.6832 63.500 4046.53 .00 .3000 .0144 .0596 -6.1830 -.6955 64.000 4154.84 .00 .3000 .0158 .0533 -6.1681 -.6331 64.500 4214.34 .00 .3000 .0264 .0303 -6.1599 -.5904 65.000 4220.55 .00 .3000 .0441 .0116 -6.1602 -.7445 65.500 4198.23 .00 .3000 .0555 -.0001 -6.1626 -.7592 66.000 4258.91 .00 .3000 .0502 .0030 -6.1547 -.7118 66.500 4352.48 .00 .3000 .0294 .0223 -6.1429 -.6452 67.000 4589.19 .00 .3000 .0075 .0379 -6.1121 -.7239 67.500 4567.83 .00 .3000 -.0095 .0472 -6.1158 -.6216 68.000 4646.21 .00 .3000 -.0089 .0451 -6.1047 -.7086 68.500 4619.89 .00 .3000 .0103 .0285 -6.1082 -.6757 69.000 4680.84 .00 .3000 .0327 .0065 -6.1015 -.6445 69.500 4586.31 .00 .3000 .0450 -.0084 -6.1140 -.7029 70.000 4773.94 .00 .3000 .0433 -.0072 -6.0897 -.6182 70.500 4933.98 .00 .3000 .0317 .0086 -6.0681 -.5363 71.000 5045.11 .00 .3000 .0143 .0305 -6.0530 -.6665 71.500 5191.88 .00 .3000 .0049 .0446 -6.0350 -.7406 72.000 5130.23 .00 .3000 .0047 .0460 -6.0426 -.6475 72.500 5104.90 .00 .3000 .0170 .0324 -6.0456 -.7274 73.000 5239.80 .00 .3000 .0322 .0194 -6.0290 -.5986 73.500 5316.59 .00 .3000 .0389 .0113 -6.0184 -.6944 74.000 5305.53 .00 .3000 .0394 .0143 -6.0202 -.6585 74.500 5539.10 .00 .3000 .0327 .0264 -5.9904 -.7062 75.000 5526.22 .00 .3000 .0231 .0379 -5.9913 -.6581 75.500 5514.76 .00 .3000 .0126 .0424 -5.9930 -.7199 76.000 5608.78 .00 .3000 .0088 .0413 -5.9813 -.6609 76.500 5762.78 .00 .3000 .0172 .0266 -5.9605 -.6328 77.000 5787.19 .00 .3000 .0336 .0049 -5.9584 -.5907 77.500 5950.00 .00 .3000 .0485 -.0046 -5.9381 -.6954 78.000 5918.31 .00 .3000 .0440 .0016 -5.9420 -.6312 78.500 6036.83 .00 .3000 .0286 .0158 -5.9263 -.6825 79.000 6097.24 .00 .3000 .0070 .0361 -5.9184 -.6692 79.500 6217.05 .00 .3000 -.0053 .0492 -5.9033 -.6894 80.000 6140.81 .00 .3000 -.0039 .0492 -5.9135 -.6389 80.500 6169.14 .00 .3000 .0093 .0390 -5.9089 -.6417 81.000 6222.53 .00 .3000 .0317 .0159 -5.9025 -.6084 81.500 6250.34 .00 .3000 .0519 -.0052 -5.9000 -.6857 82.000 6295.21 .00 .3000 .0506 -.0072 -5.8930 -.5634 82.500 6368.97 .00 .3000 .0359 .0059 -5.8834 -.6547 83.000 6511.65 .00 .3000 .0203 .0272 -5.8654 -.6808 83.500 6576.49 .00 .3000 .0055 .0477 -5.8570 -.7025 84.000 6520.12 .00 .3000 .0020 .0537 -5.8651 -.7311 84.500 6794.05 .00 .3000 .0125 .0391 -5.8287 -.6625 85.000 6648.91 .00 .3000 .0286 .0204 -5.8475 -.6289 85.500 6836.77 .00 .3000 .0398 .0115 -5.8244 -.6840 86.000 6924.14 .00 .3000 .0417 .0154 -5.8120 -.7487 86.500 6848.05 .00 .3000 .0407 .0227 -5.8221 -.7615 87.000 7105.25 .00 .3000 .0280 .0339 -5.7892 -.5800 87.500 7062.80 .00 .3000 .0164 .0412 -5.7950 -.6063 88.000 7172.96 .00 .3000 .0183 .0409 -5.7802 -.6985 88.500 7358.97 .00 .3000 .0256 .0357 -5.7563 -.7419 89.000 7312.71 .00 .3000 .0375 .0267 -5.7624 -.6426 89.500 7409.05 .00 .3000 .0441 .0107 -5.7494 -.6840 90.000 7331.87 .00 .3000 .0430 .0078 -5.7613 -.6776 90.500 7651.02 .00 .3000 .0296 .0140 -5.7183 -.6835 91.000 7696.35 .00 .3000 .0117 .0289 -5.7129 -.6482 91.500 7821.10 .00 .3000 -.0027 .0427 -5.6976 -.6944 92.000 7806.75 .00 .3000 -.0044 .0475 -5.6992 -.6775 92.500 7794.97 .00 .3000 .0108 .0333 -5.6999 -.4934 93.000 7838.97 .00 .3000 .0304 .0133 -5.6946 -.7330 93.500 7949.02 .00 .3000 .0400 -.0012 -5.6809 -.7283 94.000 7874.86 .00 .3000 .0439 -.0062 -5.6897 -.7056 94.500 7898.54 .00 .3000 .0403 .0009 -5.6868 -.7204 95.000 8071.45 .00 .3000 .0242 .0179 -5.6642 -.6116 95.500 8182.20 .00 .3000 .0044 .0396 -5.6507 -.7500 96.000 8189.87 .00 .3000 -.0058 .0465 -5.6496 -.7098 96.500 8182.44 .00 .3000 -.0036 .0403 -5.6506 -.6400 97.000 8261.72 .00 .3000 .0149 .0258 -5.6391 -.7305 97.500 8323.91 .00 .3000 .0352 .0132 -5.6319 -.6586 98.000 8290.99 .00 .3000 .0451 .0069 -5.6361 -.7551 98.500 8468.31 .00 .3000 .0442 .0114 -5.6135 -.7758 99.000 8439.27 .00 .3000 .0348 .0216 -5.6168 -.6666 99.500 8581.57 .00 .3000 .0200 .0344 -5.5995 -.6646 100.000 8769.48 .00 .3000 .0115 .0398 -5.5750 -.6795