################################################################################################################# # # # 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 these 2 articles: # # # # B. Militzer, K. P Driver, # # "Development of Path Integral Monte Carlo Simulations with Localized Nodal Surfaces for Second-Row Elements", # # Phys. Rev. Lett. 115 (2015) 176403 # # https://doi.org/10.1103/PhysRevLett.115.176403 # # # # S. X. Hu, B. Militzer, L. A. Collins, K. P. Driver, and J. D. Kress, # # "First-Principles Prediction of the Softening of the Silicon Shock Hugoniot Curve", # # Phys. Rev. B 94 (2016) 094109 # # https://doi.org/10.1103/PhysRevB.94.094109 # # # # Hugoniot initial condition E0[Ha]= -289.1657910000 # # Hugoniot initial condition P0[GPa]= 0.0000000000 # # Hugoniot initial condition V0[A^3]= 20.0245000006 # # # ################################################################################################################# f= Si N= 1 rho[g/cc]= 2.329000 V[A^3]= 20.02450000 T[K]= 250000 P[GPa]= 691.000 0.400 E[Ha]= -282.80300000 0.00000000 f= Si N= 1 rho[g/cc]= 2.329000 V[A^3]= 20.02450000 T[K]= 505239 P[GPa]= 1872.200 0.100 E[Ha]= -266.90100000 0.00100000 f= Si N= 1 rho[g/cc]= 2.329000 V[A^3]= 20.02450000 T[K]= 750000 P[GPa]= 3386.900 0.100 E[Ha]= -247.15700000 0.00100000 f= Si N= 1 rho[g/cc]= 2.329000 V[A^3]= 20.02450000 T[K]= 2020958 P[GPa]= 14663.800 211.600 E[Ha]= -128.43200000 1.45800000 f= Si N= 1 rho[g/cc]= 2.329000 V[A^3]= 20.02450000 T[K]= 4041916 P[GPa]= 33636.600 151.500 E[Ha]= 35.63800000 1.05600000 f= Si N= 1 rho[g/cc]= 2.329000 V[A^3]= 20.02450000 T[K]= 8083831 P[GPa]= 78489.300 203.000 E[Ha]= 482.32700000 1.45700000 f= Si N= 1 rho[g/cc]= 2.329000 V[A^3]= 20.02450000 T[K]= 16167663 P[GPa]= 163533.000 271.700 E[Ha]= 1100.32000000 1.88000000 f= Si N= 1 rho[g/cc]= 2.329000 V[A^3]= 20.02450000 T[K]= 32335325 P[GPa]= 331901.200 470.400 E[Ha]= 2265.35200000 3.25500000 f= Si N= 1 rho[g/cc]= 2.329000 V[A^3]= 20.02450000 T[K]= 64670651 P[GPa]= 666626.400 507.100 E[Ha]= 4574.11800000 3.49800000 f= Si N= 1 rho[g/cc]= 2.329000 V[A^3]= 20.02450000 T[K]= 129341301 P[GPa]= 1335190.700 526.000 E[Ha]= 9181.89300000 3.61800000 f= Si N= 1 rho[g/cc]= 4.658000 V[A^3]= 10.01225000 T[K]= 50000 P[GPa]= 358.800 4.300 E[Ha]= -288.40700000 0.00600000 f= Si N= 1 rho[g/cc]= 4.658000 V[A^3]= 10.01225000 T[K]= 100000 P[GPa]= 629.700 4.100 E[Ha]= -287.43700000 0.00800000 f= Si N= 1 rho[g/cc]= 4.658000 V[A^3]= 10.01225000 T[K]= 250000 P[GPa]= 1602.700 5.800 E[Ha]= -283.23400000 0.00600000 f= Si N= 1 rho[g/cc]= 4.658000 V[A^3]= 10.01225000 T[K]= 505239 P[GPa]= 3866.400 8.600 E[Ha]= -269.64400000 0.00400000 f= Si N= 1 rho[g/cc]= 4.658000 V[A^3]= 10.01225000 T[K]= 750000 P[GPa]= 6724.300 4.300 E[Ha]= -252.44300000 0.00300000 f= Si N= 1 rho[g/cc]= 4.658000 V[A^3]= 10.01225000 T[K]= 1010479 P[GPa]= 10398.800 5.300 E[Ha]= -231.90700000 0.00300000 f= Si N= 1 rho[g/cc]= 4.658000 V[A^3]= 10.01225000 T[K]= 2020958 P[GPa]= 27553.500 396.800 E[Ha]= -146.20800000 1.36400000 f= Si N= 1 rho[g/cc]= 4.658000 V[A^3]= 10.01225000 T[K]= 4041916 P[GPa]= 65200.400 346.300 E[Ha]= 12.32700000 1.19500000 f= Si N= 1 rho[g/cc]= 4.658000 V[A^3]= 10.01225000 T[K]= 8083831 P[GPa]= 152336.700 445.700 E[Ha]= 439.57500000 1.64300000 f= Si N= 1 rho[g/cc]= 4.658000 V[A^3]= 10.01225000 T[K]= 16167663 P[GPa]= 324383.100 514.100 E[Ha]= 1080.90400000 1.78600000 f= Si N= 1 rho[g/cc]= 4.658000 V[A^3]= 10.01225000 T[K]= 32335325 P[GPa]= 661773.800 965.200 E[Ha]= 2251.52600000 3.33500000 f= Si N= 1 rho[g/cc]= 4.658000 V[A^3]= 10.01225000 T[K]= 64670651 P[GPa]= 1331789.000 969.200 E[Ha]= 4563.56000000 3.33400000 f= Si N= 1 rho[g/cc]= 4.658000 V[A^3]= 10.01225000 T[K]= 129341301 P[GPa]= 2668660.300 1008.100 E[Ha]= 9171.03800000 3.48100000 f= Si N= 1 rho[g/cc]= 6.987000 V[A^3]= 6.67483300 T[K]= 50000 P[GPa]= 823.500 7.800 E[Ha]= -288.23100000 0.00900000 f= Si N= 1 rho[g/cc]= 6.987000 V[A^3]= 6.67483300 T[K]= 100000 P[GPa]= 1237.000 5.800 E[Ha]= -287.29200000 0.00700000 f= Si N= 1 rho[g/cc]= 6.987000 V[A^3]= 6.67483300 T[K]= 250000 P[GPa]= 2653.200 7.800 E[Ha]= -283.35800000 0.01300000 f= Si N= 1 rho[g/cc]= 6.987000 V[A^3]= 6.67483300 T[K]= 505239 P[GPa]= 6020.600 27.000 E[Ha]= -270.94500000 0.01500000 f= Si N= 1 rho[g/cc]= 6.987000 V[A^3]= 6.67483300 T[K]= 750000 P[GPa]= 10228.100 21.000 E[Ha]= -255.15200000 0.00200000 f= Si N= 1 rho[g/cc]= 6.987000 V[A^3]= 6.67483300 T[K]= 1010479 P[GPa]= 15607.200 27.400 E[Ha]= -236.15400000 0.00600000 f= Si N= 1 rho[g/cc]= 6.987000 V[A^3]= 6.67483300 T[K]= 2020958 P[GPa]= 38095.500 789.100 E[Ha]= -159.52000000 1.80800000 f= Si N= 1 rho[g/cc]= 6.987000 V[A^3]= 6.67483300 T[K]= 4041916 P[GPa]= 96497.200 677.600 E[Ha]= 0.82500000 1.55600000 f= Si N= 1 rho[g/cc]= 6.987000 V[A^3]= 6.67483300 T[K]= 8083831 P[GPa]= 223935.300 835.200 E[Ha]= 408.99700000 1.97300000 f= Si N= 1 rho[g/cc]= 6.987000 V[A^3]= 6.67483300 T[K]= 16167663 P[GPa]= 483879.200 956.500 E[Ha]= 1067.90700000 2.20800000 f= Si N= 1 rho[g/cc]= 6.987000 V[A^3]= 6.67483300 T[K]= 32335325 P[GPa]= 987707.600 1428.800 E[Ha]= 2235.41600000 3.29400000 f= Si N= 1 rho[g/cc]= 6.987000 V[A^3]= 6.67483300 T[K]= 64670651 P[GPa]= 1992509.200 1532.700 E[Ha]= 4547.54400000 3.52200000 f= Si N= 1 rho[g/cc]= 6.987000 V[A^3]= 6.67483300 T[K]= 129341301 P[GPa]= 4003930.000 1348.800 E[Ha]= 9169.19700000 3.10600000 f= Si N= 1 rho[g/cc]= 9.316000 V[A^3]= 5.00612500 T[K]= 50000 P[GPa]= 1491.600 7.200 E[Ha]= -287.99900000 0.00600000 f= Si N= 1 rho[g/cc]= 9.316000 V[A^3]= 5.00612500 T[K]= 100000 P[GPa]= 2035.800 9.700 E[Ha]= -287.07600000 0.01000000 f= Si N= 1 rho[g/cc]= 9.316000 V[A^3]= 5.00612500 T[K]= 250000 P[GPa]= 3897.300 7.700 E[Ha]= -283.32400000 0.00800000 f= Si N= 1 rho[g/cc]= 9.316000 V[A^3]= 5.00612500 T[K]= 505239 P[GPa]= 8399.000 19.800 E[Ha]= -271.69100000 0.00900000 f= Si N= 1 rho[g/cc]= 9.316000 V[A^3]= 5.00612500 T[K]= 750000 P[GPa]= 14000.300 44.500 E[Ha]= -256.86400000 0.01400000 f= Si N= 1 rho[g/cc]= 9.316000 V[A^3]= 5.00612500 T[K]= 1010479 P[GPa]= 21127.600 48.500 E[Ha]= -238.92700000 0.00900000 f= Si N= 1 rho[g/cc]= 9.316000 V[A^3]= 5.00612500 T[K]= 2020958 P[GPa]= 51815.100 518.400 E[Ha]= -162.72300000 0.88200000 f= Si N= 1 rho[g/cc]= 9.316000 V[A^3]= 5.00612500 T[K]= 2694610 P[GPa]= 77593.700 954.100 E[Ha]= -109.36200000 1.64400000 f= Si N= 1 rho[g/cc]= 9.316000 V[A^3]= 5.00612500 T[K]= 4041916 P[GPa]= 126325.600 723.000 E[Ha]= -9.09200000 1.24700000 f= Si N= 1 rho[g/cc]= 9.316000 V[A^3]= 5.00612500 T[K]= 8083831 P[GPa]= 295039.800 953.000 E[Ha]= 390.65600000 1.75000000 f= Si N= 1 rho[g/cc]= 9.316000 V[A^3]= 5.00612500 T[K]= 16167663 P[GPa]= 644388.000 1408.000 E[Ha]= 1059.14600000 2.45100000 f= Si N= 1 rho[g/cc]= 9.316000 V[A^3]= 5.00612500 T[K]= 32335325 P[GPa]= 1315670.200 2006.900 E[Ha]= 2228.92500000 3.46300000 f= Si N= 1 rho[g/cc]= 9.316000 V[A^3]= 5.00612500 T[K]= 64670651 P[GPa]= 2660714.000 2077.300 E[Ha]= 4551.16300000 3.57800000 f= Si N= 1 rho[g/cc]= 9.316000 V[A^3]= 5.00612500 T[K]= 129341301 P[GPa]= 5335104.800 2020.100 E[Ha]= 9160.59600000 3.48400000 f= Si N= 1 rho[g/cc]= 11.645000 V[A^3]= 4.00490000 T[K]= 50000 P[GPa]= 2420.600 6.600 E[Ha]= -287.69900000 0.00500000 f= Si N= 1 rho[g/cc]= 11.645000 V[A^3]= 4.00490000 T[K]= 100000 P[GPa]= 3078.900 7.000 E[Ha]= -286.79500000 0.00700000 f= Si N= 1 rho[g/cc]= 11.645000 V[A^3]= 4.00490000 T[K]= 250000 P[GPa]= 5363.500 12.800 E[Ha]= -283.16800000 0.01300000 f= Si N= 1 rho[g/cc]= 11.645000 V[A^3]= 4.00490000 T[K]= 505239 P[GPa]= 10955.400 23.800 E[Ha]= -272.16300000 0.01000000 f= Si N= 1 rho[g/cc]= 11.645000 V[A^3]= 4.00490000 T[K]= 750000 P[GPa]= 18026.400 43.700 E[Ha]= -258.05900000 0.00900000 f= Si N= 1 rho[g/cc]= 11.645000 V[A^3]= 4.00490000 T[K]= 1010479 P[GPa]= 26892.200 107.700 E[Ha]= -240.85600000 0.02700000 f= Si N= 1 rho[g/cc]= 11.645000 V[A^3]= 4.00490000 T[K]= 2020958 P[GPa]= 67206.600 97.100 E[Ha]= -166.77400000 0.07100000 f= Si N= 1 rho[g/cc]= 11.645000 V[A^3]= 4.00490000 T[K]= 4041916 P[GPa]= 156361.800 993.200 E[Ha]= -16.35400000 1.36200000 f= Si N= 1 rho[g/cc]= 11.645000 V[A^3]= 4.00490000 T[K]= 8083831 P[GPa]= 364447.700 1143.300 E[Ha]= 371.39000000 1.67600000 f= Si N= 1 rho[g/cc]= 11.645000 V[A^3]= 4.00490000 T[K]= 16167663 P[GPa]= 800998.200 1306.900 E[Ha]= 1047.81300000 1.82100000 f= Si N= 1 rho[g/cc]= 11.645000 V[A^3]= 4.00490000 T[K]= 32335325 P[GPa]= 1643487.200 1214.900 E[Ha]= 2224.00500000 1.67800000 f= Si N= 1 rho[g/cc]= 11.645000 V[A^3]= 4.00490000 T[K]= 64670651 P[GPa]= 3317133.600 1210.400 E[Ha]= 4536.30900000 1.67000000 f= Si N= 1 rho[g/cc]= 11.645000 V[A^3]= 4.00490000 T[K]= 129341301 P[GPa]= 6666339.600 1194.900 E[Ha]= 9154.77100000 1.64600000 f= Si N= 1 rho[g/cc]= 13.973999 V[A^3]= 3.33741700 T[K]= 50000 P[GPa]= 3613.340 6.120 E[Ha]= -287.58654000 0.00632396 f= Si N= 1 rho[g/cc]= 13.973999 V[A^3]= 3.33741700 T[K]= 100000 P[GPa]= 4361.514 9.358 E[Ha]= -286.68506000 0.01113230 f= Si N= 1 rho[g/cc]= 13.973999 V[A^3]= 3.33741700 T[K]= 250000 P[GPa]= 7014.200 18.500 E[Ha]= -282.98500000 0.01600000 f= Si N= 1 rho[g/cc]= 13.973999 V[A^3]= 3.33741700 T[K]= 505239 P[GPa]= 13834.100 93.400 E[Ha]= -272.43500000 0.03700000 f= Si N= 1 rho[g/cc]= 13.973999 V[A^3]= 3.33741700 T[K]= 750000 P[GPa]= 22007.200 80.100 E[Ha]= -258.96200000 0.01800000 f= Si N= 1 rho[g/cc]= 13.973999 V[A^3]= 3.33741700 T[K]= 1010479 P[GPa]= 32508.100 136.800 E[Ha]= -242.36600000 0.04700000 f= Si N= 1 rho[g/cc]= 13.973999 V[A^3]= 3.33741700 T[K]= 2020958 P[GPa]= 80923.800 182.800 E[Ha]= -169.96500000 0.13900000 f= Si N= 1 rho[g/cc]= 13.973999 V[A^3]= 3.33741700 T[K]= 4041916 P[GPa]= 190435.900 1688.300 E[Ha]= -17.68700000 1.94100000 f= Si N= 1 rho[g/cc]= 13.973999 V[A^3]= 3.33741700 T[K]= 8083831 P[GPa]= 435422.900 1865.300 E[Ha]= 361.24500000 2.20600000 f= Si N= 1 rho[g/cc]= 13.973999 V[A^3]= 3.33741700 T[K]= 16167663 P[GPa]= 957890.700 2124.000 E[Ha]= 1038.49100000 2.49700000 f= Si N= 1 rho[g/cc]= 13.973999 V[A^3]= 3.33741700 T[K]= 32335325 P[GPa]= 1972368.700 2960.800 E[Ha]= 2220.76200000 3.41700000 f= Si N= 1 rho[g/cc]= 13.973999 V[A^3]= 3.33741700 T[K]= 64670651 P[GPa]= 3986259.300 2943.900 E[Ha]= 4540.01700000 3.37600000 f= Si N= 1 rho[g/cc]= 13.973999 V[A^3]= 3.33741700 T[K]= 129341301 P[GPa]= 7992810.700 3087.800 E[Ha]= 9144.67100000 3.54800000 f= Si N= 1 rho[g/cc]= 18.631996 V[A^3]= 2.50306300 T[K]= 50000 P[GPa]= 6677.578 4.836 E[Ha]= -286.80795000 0.00688388 f= Si N= 1 rho[g/cc]= 18.631996 V[A^3]= 2.50306300 T[K]= 100000 P[GPa]= 7577.927 6.279 E[Ha]= -285.93187000 0.00699717 f= Si N= 1 rho[g/cc]= 18.631996 V[A^3]= 2.50306300 T[K]= 250000 P[GPa]= 11047.400 16.900 E[Ha]= -282.44900000 0.00800000 f= Si N= 1 rho[g/cc]= 18.631996 V[A^3]= 2.50306300 T[K]= 505239 P[GPa]= 19547.600 32.500 E[Ha]= -272.79800000 0.00600000 f= Si N= 1 rho[g/cc]= 18.631996 V[A^3]= 2.50306300 T[K]= 750000 P[GPa]= 31467.400 246.700 E[Ha]= -260.03400000 0.04900000 f= Si N= 1 rho[g/cc]= 18.631996 V[A^3]= 2.50306300 T[K]= 1010479 P[GPa]= 44810.900 106.400 E[Ha]= -244.53100000 0.01800000 f= Si N= 1 rho[g/cc]= 18.631996 V[A^3]= 2.50306300 T[K]= 2020958 P[GPa]= 109041.100 174.000 E[Ha]= -175.01800000 0.07700000 f= Si N= 1 rho[g/cc]= 18.631996 V[A^3]= 2.50306300 T[K]= 4041916 P[GPa]= 252032.900 1535.400 E[Ha]= -25.88500000 1.31700000 f= Si N= 1 rho[g/cc]= 18.631996 V[A^3]= 2.50306300 T[K]= 8083831 P[GPa]= 572026.000 2134.000 E[Ha]= 340.26900000 1.89400000 f= Si N= 1 rho[g/cc]= 18.631996 V[A^3]= 2.50306300 T[K]= 16167663 P[GPa]= 1268337.800 2234.700 E[Ha]= 1022.12500000 1.96400000 f= Si N= 1 rho[g/cc]= 18.631996 V[A^3]= 2.50306300 T[K]= 32335325 P[GPa]= 2617832.700 4099.800 E[Ha]= 2205.05000000 3.54900000 f= Si N= 1 rho[g/cc]= 18.631996 V[A^3]= 2.50306300 T[K]= 64670651 P[GPa]= 5300935.900 3908.000 E[Ha]= 4523.41600000 3.38000000 f= Si N= 1 rho[g/cc]= 18.631996 V[A^3]= 2.50306300 T[K]= 129341301 P[GPa]= 10652592.700 4018.600 E[Ha]= 9137.05600000 3.46500000