t(ps) T1(K) T2(k) rpps0 rpps1 rpps2 Egear(ev) Evdw(ev) 80.500 300.23 .00 .3050 .0494 .0718 -6.6870 -.7669 81.000 300.60 .00 .3100 .0569 .0639 -6.6865 -.6919 81.500 300.29 .00 .3150 .0628 .0573 -6.6867 -.6765 82.000 301.12 .00 .3200 .0653 .0562 -6.6867 -.6586 82.500 299.94 .00 .3250 .0694 .0533 -6.6863 -.5825 83.000 300.03 .00 .3300 .0635 .0581 -6.6858 -.8106 83.500 299.70 .00 .3350 .0680 .0536 -6.6862 -.6179 84.000 301.00 .00 .3400 .0610 .0612 -6.6859 -.6664 84.500 300.71 .00 .3450 .0690 .0699 -6.6867 -.6414 85.000 300.98 .00 .3500 .0728 .0772 -6.6866 -.5661 85.500 300.16 .00 .3550 .0767 .0816 -6.6864 -.7162 86.000 300.07 .00 .3600 .0803 .0814 -6.6869 -.6475 86.500 299.76 .00 .3650 .0793 .0858 -6.6867 -.8061 87.000 300.54 .00 .3700 .0848 .0860 -6.6871 -.6646 87.500 300.81 .00 .3750 .0861 .0907 -6.6871 -.6838 88.000 300.23 .00 .3800 .0945 .0913 -6.6868 -.6583 88.500 299.83 .00 .3850 .0934 .0923 -6.6872 -.7117 89.000 300.12 .00 .3900 .0984 .0896 -6.6869 -.7469 89.500 300.11 .00 .3950 .1017 .0929 -6.6869 -.7000 90.000 301.04 .00 .4000 .1009 .0962 -6.6868 -.7426 90.500 301.53 .00 .4000 .1027 .0983 -6.6863 -.5854 91.000 300.19 .00 .4000 .1093 .0999 -6.6870 -.6697 91.500 300.03 .00 .4000 .1027 .1062 -6.6871 -.5576 92.000 300.69 .00 .4000 .1013 .1089 -6.6866 -.7265 92.500 300.34 .00 .4000 .1061 .1077 -6.6873 -.6509 93.000 301.00 .00 .4000 .1024 .1108 -6.6871 -.6326 93.500 300.11 .00 .4000 .1084 .1109 -6.6875 -.6031 94.000 300.90 .00 .4000 .1016 .1117 -6.6872 -.7731 94.500 300.26 .00 .4000 .1041 .1106 -6.6872 -.7670 95.000 300.27 .00 .4000 .1080 .1106 -6.6874 -.7502 95.500 299.57 .00 .4000 .1054 .1093 -6.6873 -.7215 96.000 300.17 .00 .4000 .1035 .1092 -6.6874 -.6237 96.500 300.21 .00 .4000 .1035 .1071 -6.6875 -.7289 97.000 300.33 .00 .4000 .1048 .1071 -6.6871 -.7261 97.500 300.77 .00 .4000 .1067 .1058 -6.6871 -.7123 98.000 299.38 .00 .4000 .1109 .1040 -6.6874 -.7268 98.500 300.18 .00 .4000 .1079 .1063 -6.6874 -.7298 99.000 299.73 .00 .4000 .1059 .1074 -6.6875 -.7427 99.500 300.90 .00 .4000 .1049 .1063 -6.6871 -.6993 100.000 300.46 .00 .4000 .1110 .1043 -6.6872 -.6716 100.500 300.02 .00 .4000 .1096 .1043 -6.6875 -.7566 101.000 300.07 .00 .4000 .1077 .1042 -6.6871 -.6789 101.500 300.35 .00 .4000 .1064 .1061 -6.6871 -.6837 102.000 300.55 .00 .4000 .1075 .1057 -6.6873 -.7461 102.500 300.54 .00 .4000 .1082 .1079 -6.6871 -.6989 103.000 299.74 .00 .4000 .1110 .1067 -6.6873 -.7450 103.500 300.25 .00 .4000 .1062 .1090 -6.6873 -.6660 104.000 300.60 .00 .4000 .1066 .1115 -6.6874 -.6630 104.500 300.18 .00 .4000 .1095 .1091 -6.6876 -.7363 105.000 299.98 .00 .4000 .1076 .1101 -6.6874 -.6992 105.500 300.13 .00 .4000 .1083 .1102 -6.6875 -.6948 106.000 300.32 .00 .4000 .1055 .1106 -6.6874 -.7698 106.500 300.48 .00 .4000 .1083 .1092 -6.6874 -.6779 107.000 299.83 .00 .4000 .1104 .1085 -6.6876 -.7565 107.500 299.99 .00 .4000 .1082 .1088 -6.6873 -.7297 108.000 300.12 .00 .4000 .1066 .1090 -6.6875 -.6609 108.500 300.27 .00 .4000 .1084 .1083 -6.6876 -.7269 109.000 300.35 .00 .4000 .1085 .1088 -6.6876 -.6521 109.500 300.02 .00 .4000 .1110 .1089 -6.6874 -.7597 110.000 300.08 .00 .4000 .1080 .1082 -6.6874 -.7472 110.500 300.48 .00 .4000 .1104 .1077 -6.6875 -.6719 111.000 300.07 .00 .4000 .1105 .1077 -6.6875 -.7661 111.500 299.85 .00 .4000 .1098 .1072 -6.6874 -.7310 112.000 300.41 .00 .4000 .1083 .1081 -6.6874 -.6635 112.500 300.27 .00 .4000 .1069 .1099 -6.6875 -.7620 113.000 300.45 .00 .4000 .1110 .1085 -6.6874 -.6461 113.500 299.60 .00 .4000 .1109 .1089 -6.6874 -.7740 114.000 300.14 .00 .4000 .1076 .1092 -6.6874 -.7294 114.500 300.87 .00 .4000 .1057 .1109 -6.6875 -.6305 115.000 300.33 .00 .4000 .1112 .1088 -6.6876 -.7327 115.500 299.85 .00 .4000 .1118 .1095 -6.6875 -.7207 116.000 299.75 .00 .4000 .1094 .1105 -6.6875 -.7432 116.500 300.35 .00 .4000 .1047 .1108 -6.6875 -.7519 117.000 300.64 .00 .4000 .1084 .1105 -6.6875 -.6827 117.500 299.88 .00 .4000 .1132 .1085 -6.6876 -.7553 118.000 299.81 .00 .4000 .1096 .1086 -6.6874 -.7427 118.500 300.31 .00 .4000 .1071 .1094 -6.6876 -.6562 119.000 300.40 .00 .4000 .1073 .1097 -6.6876 -.7504 119.500 300.18 .00 .4000 .1106 .1086 -6.6875 -.6819 120.000 299.79 .00 .4000 .1110 .1090 -6.6875 -.7608