# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Wang-J-Oh-S-H-Lee-B-J--Cu-Co # implementation = 2020--Wang-J--Cu-Co--LAMMPS--ipr1 # composition = CoCu2 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 4.201455241e+02 0.76 3.923450097e+02 0.78 3.663220715e+02 0.80 3.419627909e+02 0.82 3.191606939e+02 0.84 2.978162662e+02 0.86 2.778364950e+02 0.88 2.591344397e+02 0.90 2.416288273e+02 0.92 2.252436745e+02 0.94 2.099079321e+02 0.96 1.955551549e+02 0.98 1.821231912e+02 1.00 1.695538952e+02 1.02 1.577928568e+02 1.04 1.467891524e+02 1.06 1.364951105e+02 1.08 1.268660957e+02 1.10 1.178603063e+02 1.12 1.094385867e+02 1.14 1.015642531e+02 1.16 9.420293105e+01 1.18 8.732240465e+01 1.20 8.089247595e+01 1.22 7.488483446e+01 1.24 6.927293547e+01 1.26 6.403188692e+01 1.28 5.913834385e+01 1.30 5.457041015e+01 1.32 5.030754693e+01 1.34 4.633048705e+01 1.36 4.262115528e+01 1.38 3.916259388e+01 1.40 3.593889299e+01 1.42 3.293512558e+01 1.44 3.013728662e+01 1.46 2.753223621e+01 1.48 2.510764630e+01 1.50 2.285195084e+01 1.52 2.075429905e+01 1.54 1.880451167e+01 1.56 1.699303991e+01 1.58 1.531092700e+01 1.60 1.374977204e+01 1.62 1.230169620e+01 1.64 1.095931091e+01 1.66 9.715688011e+00 1.68 8.564331735e+00 1.70 7.499152423e+00 1.72 6.514441787e+00 1.74 5.604849698e+00 1.76 4.765362371e+00 1.78 3.991281869e+00 1.80 3.278206836e+00 1.82 2.622014393e+00 1.84 2.018843124e+00 1.86 1.465077079e+00 1.88 9.573307410e-01 1.90 4.924348951e-01 1.92 6.742334418e-02 1.94 -3.204795764e-01 1.96 -6.738707361e-01 1.98 -9.951792409e-01 2.00 -1.286676801e+00 2.02 -1.550487477e+00 2.04 -1.788596838e+00 2.06 -2.002860569e+00 2.08 -2.195012556e+00 2.10 -2.366672490e+00 2.12 -2.519353004e+00 2.14 -2.654466381e+00 2.16 -2.773330854e+00 2.18 -2.877176529e+00 2.20 -2.967150937e+00 2.22 -3.044324261e+00 2.24 -3.109694232e+00 2.26 -3.164190732e+00 2.28 -3.208680118e+00 2.30 -3.243969271e+00 2.32 -3.270809406e+00 2.34 -3.289899643e+00 2.36 -3.301890354e+00 2.38 -3.307386313e+00 2.40 -3.306949639e+00 2.42 -3.301102566e+00 2.44 -3.290330032e+00 2.46 -3.275082116e+00 2.48 -3.255776314e+00 2.50 -3.232799678e+00 2.52 -3.206510817e+00 2.54 -3.177241774e+00 2.56 -3.145299786e+00 2.58 -3.110968931e+00 2.60 -3.074511669e+00 2.62 -3.036170287e+00 2.64 -2.996168254e+00 2.66 -2.954711488e+00 2.68 -2.911989538e+00 2.70 -2.868176698e+00 2.72 -2.823433044e+00 2.74 -2.777905407e+00 2.76 -2.731728281e+00 2.78 -2.685024677e+00 2.80 -2.637906916e+00 2.82 -2.590477376e+00 2.84 -2.542829189e+00 2.86 -2.495046893e+00 2.88 -2.447207042e+00 2.90 -2.399378779e+00 2.92 -2.351624366e+00 2.94 -2.303999692e+00 2.96 -2.256554737e+00 2.98 -2.209334012e+00 3.00 -2.162376976e+00 3.02 -2.115718418e+00 3.04 -2.069388825e+00 3.06 -2.023414725e+00 3.08 -1.977819006e+00 3.10 -1.932621229e+00 3.12 -1.887837708e+00 3.14 -1.841780711e+00 3.16 -1.778267030e+00 3.18 -1.664608061e+00 3.20 -1.515769464e+00 3.22 -1.470269442e+00 3.24 -1.432780304e+00 3.26 -1.395667366e+00 3.28 -1.358932539e+00 3.30 -1.322576904e+00 3.32 -1.286600905e+00 3.34 -1.251004527e+00 3.36 -1.215787488e+00 3.38 -1.180949414e+00 3.40 -1.146490029e+00 3.42 -1.112409334e+00 3.44 -1.078707791e+00 3.46 -1.045386506e+00 3.48 -1.012447403e+00 3.50 -9.798934068e-01 3.52 -9.477286104e-01 3.54 -9.159584413e-01 3.56 -8.845898197e-01 3.58 -8.536313040e-01 3.60 -8.230932246e-01 3.62 -7.915713205e-01 3.64 -7.415084337e-01 3.66 -6.256819417e-01 3.68 -3.637734085e-01 3.70 -2.102303372e-22 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00