######################################################################################## # # # First-Principles Equation of State Database for Warm Dense Matter Computation # # Code written by Burkhard Militzer Berkeley, 09/18/2020 # # # # To thank the authors, please cite this 1 article: # # # # K. P. Driver, F. Soubiran, S. Zhang, B. Militzer, # # "First-principles equation of state and electronic properties of warm dense oxygen", # # J. Chem. Phys. 143 (2015) 164507 # # https://doi.org/10.1063/1.4934348 # # # # Hugoniot initial condition E0[Ha]= -75.1236635900 # # Hugoniot initial condition P0[GPa]= 0.0000000000 # # Hugoniot initial condition V0[A^3]= 39.8264983700 # # # ######################################################################################## f= O N= 1 rho[g/cc]= 2.486325 V[A^3]= 10.68550000 T[K]= 10000 P[GPa]= 37.852 0.632 E[Ha]= -75.01495900 0.00075300 f= O N= 1 rho[g/cc]= 2.486325 V[A^3]= 10.68550000 T[K]= 30000 P[GPa]= 96.706 0.993 E[Ha]= -74.81138200 0.00094600 f= O N= 1 rho[g/cc]= 2.486325 V[A^3]= 10.68550000 T[K]= 50000 P[GPa]= 161.461 0.958 E[Ha]= -74.57076600 0.00084100 f= O N= 1 rho[g/cc]= 2.486325 V[A^3]= 10.68550000 T[K]= 100000 P[GPa]= 341.238 1.473 E[Ha]= -73.63489000 0.00098000 f= O N= 1 rho[g/cc]= 2.486325 V[A^3]= 10.68550000 T[K]= 250000 P[GPa]= 1183.072 3.298 E[Ha]= -69.29316100 0.00346400 f= O N= 1 rho[g/cc]= 2.486325 V[A^3]= 10.68550000 T[K]= 500000 P[GPa]= 3048.890 4.938 E[Ha]= -60.58154200 0.02905900 f= O N= 1 rho[g/cc]= 2.486325 V[A^3]= 10.68550000 T[K]= 750000 P[GPa]= 5118.535 4.830 E[Ha]= -51.83628500 0.17586900 f= O N= 1 rho[g/cc]= 2.486325 V[A^3]= 10.68550000 T[K]= 1000000 P[GPa]= 7338.518 5.599 E[Ha]= -42.40559600 0.01985100 f= O N= 1 rho[g/cc]= 2.486325 V[A^3]= 10.68550000 T[K]= 2020960 P[GPa]= 17999.270 14.873 E[Ha]= 16.05557640 0.06722090 f= O N= 1 rho[g/cc]= 2.486325 V[A^3]= 10.68550000 T[K]= 4041920 P[GPa]= 43036.700 11.748 E[Ha]= 138.70704050 0.06051099 f= O N= 1 rho[g/cc]= 2.486325 V[A^3]= 10.68550000 T[K]= 8083850 P[GPa]= 91166.181 20.770 E[Ha]= 323.90331450 0.08964081 f= O N= 1 rho[g/cc]= 2.486325 V[A^3]= 10.68550000 T[K]= 16167700 P[GPa]= 185880.942 73.312 E[Ha]= 674.56773750 0.29281226 f= O N= 1 rho[g/cc]= 2.486325 V[A^3]= 10.68550000 T[K]= 99497670 P[GPa]= 1155684.237 608.130 E[Ha]= 4242.23798000 2.24741300 f= O N= 1 rho[g/cc]= 2.486325 V[A^3]= 10.68550000 T[K]= 1034730000 P[GPa]= 12031694.850 879.094 E[Ha]= 44227.22560000 3.25113962 f= O N= 1 rho[g/cc]= 3.630449 V[A^3]= 7.31800000 T[K]= 10000 P[GPa]= 103.800 0.751 E[Ha]= -74.99220100 0.00067600 f= O N= 1 rho[g/cc]= 3.630449 V[A^3]= 7.31800000 T[K]= 30000 P[GPa]= 202.025 1.979 E[Ha]= -74.79679300 0.00127300 f= O N= 1 rho[g/cc]= 3.630449 V[A^3]= 7.31800000 T[K]= 50000 P[GPa]= 305.067 1.294 E[Ha]= -74.56469200 0.00082000 f= O N= 1 rho[g/cc]= 3.630449 V[A^3]= 7.31800000 T[K]= 100000 P[GPa]= 605.220 2.491 E[Ha]= -73.68586900 0.00195600 f= O N= 1 rho[g/cc]= 3.630449 V[A^3]= 7.31800000 T[K]= 250000 P[GPa]= 1831.064 3.307 E[Ha]= -69.65795700 0.00190200 f= O N= 1 rho[g/cc]= 3.630449 V[A^3]= 7.31800000 T[K]= 500000 P[GPa]= 4483.022 5.071 E[Ha]= -61.41162600 0.00609900 f= O N= 1 rho[g/cc]= 3.630449 V[A^3]= 7.31800000 T[K]= 750000 P[GPa]= 7442.523 8.388 E[Ha]= -52.79029700 0.05442000 f= O N= 1 rho[g/cc]= 3.630449 V[A^3]= 7.31800000 T[K]= 1000000 P[GPa]= 10506.841 14.214 E[Ha]= -44.13048500 0.02200500 f= O N= 1 rho[g/cc]= 3.630449 V[A^3]= 7.31800000 T[K]= 2020960 P[GPa]= 25689.098 28.032 E[Ha]= 10.66558743 0.07992760 f= O N= 1 rho[g/cc]= 3.630449 V[A^3]= 7.31800000 T[K]= 4041920 P[GPa]= 61955.180 18.479 E[Ha]= 132.55739100 0.06074029 f= O N= 1 rho[g/cc]= 3.630449 V[A^3]= 7.31800000 T[K]= 8083850 P[GPa]= 132427.668 35.007 E[Ha]= 320.23798112 0.10776870 f= O N= 1 rho[g/cc]= 3.630449 V[A^3]= 7.31800000 T[K]= 16167700 P[GPa]= 269993.112 107.307 E[Ha]= 669.34336563 0.28418665 f= O N= 1 rho[g/cc]= 3.630449 V[A^3]= 7.31800000 T[K]= 99497670 P[GPa]= 1685108.135 750.336 E[Ha]= 4235.13343125 1.88988263 f= O N= 1 rho[g/cc]= 3.630449 V[A^3]= 7.31800000 T[K]= 1034730000 P[GPa]= 17566925.650 1904.130 E[Ha]= 44223.11440000 4.79466162 f= O N= 1 rho[g/cc]= 7.261642 V[A^3]= 3.65862500 T[K]= 10000 P[GPa]= 748.930 1.010 E[Ha]= -74.81311800 0.00049100 f= O N= 1 rho[g/cc]= 7.261642 V[A^3]= 3.65862500 T[K]= 30000 P[GPa]= 986.005 4.514 E[Ha]= -74.60639400 0.00185700 f= O N= 1 rho[g/cc]= 7.261642 V[A^3]= 3.65862500 T[K]= 50000 P[GPa]= 1209.342 3.807 E[Ha]= -74.38202800 0.00177100 f= O N= 1 rho[g/cc]= 7.261642 V[A^3]= 3.65862500 T[K]= 100000 P[GPa]= 1831.738 6.441 E[Ha]= -73.61209700 0.00367400 f= O N= 1 rho[g/cc]= 7.261642 V[A^3]= 3.65862500 T[K]= 250000 P[GPa]= 4271.196 6.193 E[Ha]= -70.09641000 0.00338500 f= O N= 1 rho[g/cc]= 7.261642 V[A^3]= 3.65862500 T[K]= 500000 P[GPa]= 9415.116 10.483 E[Ha]= -62.65918000 0.00806600 f= O N= 1 rho[g/cc]= 7.261642 V[A^3]= 3.65862500 T[K]= 750000 P[GPa]= 15232.299 17.063 E[Ha]= -54.50397500 0.01753800 f= O N= 1 rho[g/cc]= 7.261642 V[A^3]= 3.65862500 T[K]= 1000000 P[GPa]= 21066.528 20.446 E[Ha]= -46.49264000 0.04186500 f= O N= 1 rho[g/cc]= 7.261642 V[A^3]= 3.65862500 T[K]= 2020960 P[GPa]= 49636.632 50.832 E[Ha]= 1.74108923 0.06679204 f= O N= 1 rho[g/cc]= 7.261642 V[A^3]= 3.65862500 T[K]= 4041920 P[GPa]= 120041.414 34.277 E[Ha]= 119.02695886 0.05191399 f= O N= 1 rho[g/cc]= 7.261642 V[A^3]= 3.65862500 T[K]= 8083850 P[GPa]= 261807.985 74.857 E[Ha]= 311.36016112 0.11144260 f= O N= 1 rho[g/cc]= 7.261642 V[A^3]= 3.65862500 T[K]= 16167700 P[GPa]= 538874.754 196.144 E[Ha]= 664.42862500 0.26087981 f= O N= 1 rho[g/cc]= 7.261642 V[A^3]= 3.65862500 T[K]= 99497670 P[GPa]= 3374099.397 1777.136 E[Ha]= 4237.48203250 2.24658750 f= O N= 1 rho[g/cc]= 7.261642 V[A^3]= 3.65862500 T[K]= 1034730000 P[GPa]= 35142831.110 2985.463 E[Ha]= 44227.31697500 3.76098275 f= O N= 1 rho[g/cc]= 14.863006 V[A^3]= 1.78750000 T[K]= 10000 P[GPa]= 4626.283 8.040 E[Ha]= -74.05678500 0.00183400 f= O N= 1 rho[g/cc]= 14.863006 V[A^3]= 1.78750000 T[K]= 30000 P[GPa]= 5238.823 4.062 E[Ha]= -73.81542200 0.00122400 f= O N= 1 rho[g/cc]= 14.863006 V[A^3]= 1.78750000 T[K]= 50000 P[GPa]= 5705.473 5.634 E[Ha]= -73.59021400 0.00204600 f= O N= 1 rho[g/cc]= 14.863006 V[A^3]= 1.78750000 T[K]= 100000 P[GPa]= 6974.815 7.053 E[Ha]= -72.90667000 0.00251800 f= O N= 1 rho[g/cc]= 14.863006 V[A^3]= 1.78750000 T[K]= 250000 P[GPa]= 11803.253 10.666 E[Ha]= -69.88377300 0.00385700 f= O N= 1 rho[g/cc]= 14.863006 V[A^3]= 1.78750000 T[K]= 500000 P[GPa]= 21944.869 33.556 E[Ha]= -63.21348800 0.01000000 f= O N= 1 rho[g/cc]= 14.863006 V[A^3]= 1.78750000 T[K]= 750000 P[GPa]= 33292.847 69.451 E[Ha]= -55.75743700 0.04000000 f= O N= 1 rho[g/cc]= 14.863006 V[A^3]= 1.78750000 T[K]= 1000000 P[GPa]= 45273.916 63.895 E[Ha]= -47.95441000 0.04000000 f= O N= 1 rho[g/cc]= 14.863006 V[A^3]= 1.78750000 T[K]= 2020960 P[GPa]= 99599.005 98.103 E[Ha]= -5.97183571 0.05825404 f= O N= 1 rho[g/cc]= 14.863006 V[A^3]= 1.78750000 T[K]= 4041920 P[GPa]= 237349.501 67.385 E[Ha]= 103.40947465 0.04729579 f= O N= 1 rho[g/cc]= 14.863006 V[A^3]= 1.78750000 T[K]= 8083850 P[GPa]= 527444.883 141.124 E[Ha]= 299.19733275 0.09835964 f= O N= 1 rho[g/cc]= 14.863006 V[A^3]= 1.78750000 T[K]= 16167700 P[GPa]= 1096035.405 363.537 E[Ha]= 655.34729650 0.23819595 f= O N= 1 rho[g/cc]= 14.863006 V[A^3]= 1.78750000 T[K]= 99497670 P[GPa]= 6899764.716 3226.041 E[Ha]= 4230.34306500 1.98651225 f= O N= 1 rho[g/cc]= 14.863006 V[A^3]= 1.78750000 T[K]= 1034730000 P[GPa]= 71917072.780 5787.086 E[Ha]= 44217.03041250 3.58299425 f= O N= 1 rho[g/cc]= 49.997880 V[A^3]= 0.53137500 T[K]= 50000 P[GPa]= 80321.680 2705.480 E[Ha]= -67.59436700 0.03127991 f= O N= 1 rho[g/cc]= 49.997880 V[A^3]= 0.53137500 T[K]= 100000 P[GPa]= 82851.281 2533.900 E[Ha]= -67.18801100 0.03110889 f= O N= 1 rho[g/cc]= 49.997880 V[A^3]= 0.53137500 T[K]= 250000 P[GPa]= 97060.102 4329.553 E[Ha]= -64.90045300 0.05859094 f= O N= 1 rho[g/cc]= 49.997880 V[A^3]= 0.53137500 T[K]= 500000 P[GPa]= 124571.600 4082.366 E[Ha]= -60.02204300 0.05957722 f= O N= 1 rho[g/cc]= 49.997880 V[A^3]= 0.53137500 T[K]= 1000000 P[GPa]= 195622.690 3421.283 E[Ha]= -47.16772200 0.05647595 f= O N= 1 rho[g/cc]= 49.997880 V[A^3]= 0.53137500 T[K]= 2020960 P[GPa]= 351315.063 213.896 E[Ha]= -13.10704837 0.04108881 f= O N= 1 rho[g/cc]= 49.997880 V[A^3]= 0.53137500 T[K]= 4041920 P[GPa]= 768044.441 164.464 E[Ha]= 78.28934125 0.03270394 f= O N= 1 rho[g/cc]= 49.997880 V[A^3]= 0.53137500 T[K]= 8083850 P[GPa]= 1721015.974 318.376 E[Ha]= 272.08255313 0.06462960 f= O N= 1 rho[g/cc]= 49.997880 V[A^3]= 0.53137500 T[K]= 16167700 P[GPa]= 3638714.147 751.456 E[Ha]= 633.85457362 0.14274706 f= O N= 1 rho[g/cc]= 49.997880 V[A^3]= 0.53137500 T[K]= 99497670 P[GPa]= 23165567.710 7204.203 E[Ha]= 4214.56951750 1.31605237 f= O N= 1 rho[g/cc]= 49.997880 V[A^3]= 0.53137500 T[K]= 1034730000 P[GPa]= 241912168.000 8060.841 E[Ha]= 44208.36037500 1.46511963 f= O N= 1 rho[g/cc]= 100.019288 V[A^3]= 0.26562500 T[K]= 50000 P[GPa]= 318450.020 4947.033 E[Ha]= -58.49365400 0.03528700 f= O N= 1 rho[g/cc]= 100.019288 V[A^3]= 0.26562500 T[K]= 100000 P[GPa]= 322380.140 4968.540 E[Ha]= -58.15763300 0.03562446 f= O N= 1 rho[g/cc]= 100.019288 V[A^3]= 0.26562500 T[K]= 250000 P[GPa]= 347047.950 9212.824 E[Ha]= -56.14815100 0.06961316 f= O N= 1 rho[g/cc]= 100.019288 V[A^3]= 0.26562500 T[K]= 2020960 P[GPa]= 793542.951 497.483 E[Ha]= -10.07002334 0.04596218 f= O N= 1 rho[g/cc]= 100.019288 V[A^3]= 0.26562500 T[K]= 4041920 P[GPa]= 1553593.704 378.320 E[Ha]= 68.30901679 0.03715342 f= O N= 1 rho[g/cc]= 100.019288 V[A^3]= 0.26562500 T[K]= 8083850 P[GPa]= 3396955.738 706.014 E[Ha]= 254.72840612 0.07033866 f= O N= 1 rho[g/cc]= 100.019288 V[A^3]= 0.26562500 T[K]= 16167700 P[GPa]= 7213881.694 1457.977 E[Ha]= 617.34811538 0.13341976 f= O N= 1 rho[g/cc]= 100.019288 V[A^3]= 0.26562500 T[K]= 99497670 P[GPa]= 46258879.970 13162.820 E[Ha]= 4201.76376875 1.20740753 f= O N= 1 rho[g/cc]= 100.019288 V[A^3]= 0.26562500 T[K]= 1034730000 P[GPa]= 483702750.000 18187.730 E[Ha]= 44192.66530000 1.66406400