# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = Co2CrCu # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 -3.962100190e+02 -3.962100190e+02 1.06 -3.742777341e+02 -3.742777341e+02 1.08 -3.537040382e+02 -3.537040382e+02 1.10 -3.341562455e+02 -3.341562455e+02 1.12 -3.148317080e+02 -3.148317080e+02 1.14 -2.955952146e+02 -2.955952146e+02 1.16 -2.772423687e+02 -2.772423687e+02 1.18 -2.599451745e+02 -2.599451745e+02 1.20 -2.445919698e+02 -2.445919698e+02 1.22 -2.313835986e+02 -2.313835986e+02 1.24 -2.194300351e+02 -2.194300351e+02 1.26 -2.079362757e+02 -2.079362757e+02 1.28 -1.975712388e+02 -1.975712388e+02 1.30 -1.877065102e+02 -1.877065102e+02 1.32 -1.781697572e+02 -1.781697572e+02 1.34 -1.685892066e+02 -1.685892066e+02 1.36 -1.593832755e+02 -1.593832755e+02 1.38 -1.506143010e+02 -1.506143010e+02 1.40 -1.427135119e+02 -1.427135119e+02 1.42 -1.350768256e+02 -1.350768256e+02 1.44 -1.273562825e+02 -1.273562825e+02 1.46 -1.197235210e+02 -1.197235210e+02 1.48 -1.118520262e+02 -1.118520262e+02 1.50 -1.040422832e+02 -1.040422832e+02 1.52 -9.647871595e+01 -9.647871595e+01 1.54 -8.916752505e+01 -8.916752505e+01 1.56 -8.194534697e+01 -8.194534697e+01 1.58 -7.463608461e+01 -7.463608461e+01 1.60 -6.700474213e+01 -6.700474213e+01 1.62 -5.895717424e+01 -5.895717424e+01 1.64 -5.083846807e+01 -5.083846807e+01 1.66 -4.316813317e+01 -4.316813317e+01 1.68 -3.594068117e+01 -3.594068117e+01 1.70 -2.926464095e+01 -2.926464095e+01 1.72 -2.313865115e+01 -2.313865115e+01 1.74 -1.770309681e+01 -1.770309681e+01 1.76 -1.298378113e+01 -1.298378113e+01 1.78 -8.875741423e+00 -8.875741423e+00 1.80 -5.722550260e+00 -5.722550260e+00 1.82 -3.484644616e+00 -3.484644616e+00 1.84 -1.947680600e+00 -1.947680600e+00 1.86 -9.468813496e-01 -9.468813496e-01 1.88 -3.711995882e-01 -3.711995882e-01 1.90 -1.034039127e-01 -1.034039127e-01 1.92 -4.067765470e-02 -4.067765470e-02 1.94 -1.113160497e-01 -1.113160497e-01 1.96 -2.727980670e-01 -2.727980670e-01 1.98 -4.979570371e-01 -4.979570371e-01 2.00 -7.698663522e-01 -7.698660223e-01 2.02 -1.072132934e+00 -1.072132934e+00 2.04 -1.389203211e+00 -1.389203211e+00 2.06 -1.712095470e+00 -1.712095470e+00 2.08 -2.030872814e+00 -2.030872814e+00 2.10 -2.335468076e+00 -2.335468076e+00 2.12 -2.616644380e+00 -2.616644380e+00 2.14 -2.869080238e+00 -2.869080238e+00 2.16 -3.086961161e+00 -3.086961161e+00 2.18 -3.269511957e+00 -3.269511957e+00 2.20 -3.416253052e+00 -3.416253052e+00 2.22 -3.529524421e+00 -3.529524421e+00 2.24 -3.615895285e+00 -3.615895285e+00 2.26 -3.682978163e+00 -3.682978163e+00 2.28 -3.737344559e+00 -3.737344559e+00 2.30 -3.784502934e+00 -3.784502934e+00 2.32 -3.827526712e+00 -3.827526712e+00 2.34 -3.862605700e+00 -3.862605700e+00 2.36 -3.897640214e+00 -3.897640214e+00 2.38 -3.932219292e+00 -3.932219292e+00 2.40 -3.957970522e+00 -3.957970522e+00 2.42 -3.984647997e+00 -3.984647997e+00 2.44 -4.006469635e+00 -4.006469635e+00 2.46 -4.022069259e+00 -4.022069259e+00 2.48 -4.030755207e+00 -4.030755207e+00 2.50 -4.033158553e+00 -4.033158553e+00 2.52 -4.029286853e+00 -4.029286853e+00 2.54 -4.018947459e+00 -4.018947459e+00 2.56 -4.002188303e+00 -4.002188303e+00 2.58 -3.979213016e+00 -3.979213016e+00 2.60 -3.949598413e+00 -3.949598413e+00 2.62 -3.915220351e+00 -3.915220351e+00 2.64 -3.876339636e+00 -3.876339636e+00 2.66 -3.833659814e+00 -3.833659814e+00 2.68 -3.787658080e+00 -3.787658080e+00 2.70 -3.738654399e+00 -3.738654399e+00 2.72 -3.686891074e+00 -3.686891074e+00 2.74 -3.632585697e+00 -3.632585697e+00 2.76 -3.576019506e+00 -3.576019506e+00 2.78 -3.517510414e+00 -3.517510414e+00 2.80 -3.457363142e+00 -3.457363142e+00 2.82 -3.395785222e+00 -3.395785222e+00 2.84 -3.332841669e+00 -3.332841669e+00 2.86 -3.268584285e+00 -3.268584285e+00 2.88 -3.202979319e+00 -3.202979319e+00 2.90 -3.135712283e+00 -3.135712283e+00 2.92 -3.066626741e+00 -3.066626741e+00 2.94 -2.995692908e+00 -2.995692908e+00 2.96 -2.922939118e+00 -2.922939118e+00 2.98 -2.848335103e+00 -2.848335103e+00 3.00 -2.771926153e+00 -2.771926154e+00 3.02 -2.693959645e+00 -2.693959645e+00 3.04 -2.615028250e+00 -2.615028250e+00 3.06 -2.535743062e+00 -2.535743062e+00 3.08 -2.456715262e+00 -2.456715262e+00 3.10 -2.378413064e+00 -2.378413064e+00 3.12 -2.301300491e+00 -2.301300491e+00 3.14 -2.228413525e+00 -2.228413525e+00 3.16 -2.157148071e+00 -2.157148071e+00 3.18 -2.089102148e+00 -2.089102148e+00 3.20 -2.024555982e+00 -2.024555982e+00 3.22 -1.963543274e+00 -1.963543274e+00 3.24 -1.905863994e+00 -1.905863994e+00 3.26 -1.851088695e+00 -1.851088695e+00 3.28 -1.798585664e+00 -1.798585664e+00 3.30 -1.747592421e+00 -1.747592421e+00 3.32 -1.697324929e+00 -1.697324929e+00 3.34 -1.647104484e+00 -1.647104484e+00 3.36 -1.596508185e+00 -1.596508185e+00 3.38 -1.545433594e+00 -1.545433594e+00 3.40 -1.494065084e+00 -1.494065084e+00 3.42 -1.442826393e+00 -1.442826393e+00 3.44 -1.392245860e+00 -1.392245860e+00 3.46 -1.342842073e+00 -1.342842073e+00 3.48 -1.295040117e+00 -1.295040117e+00 3.50 -1.249124428e+00 -1.249124428e+00 3.52 -1.205227256e+00 -1.205227256e+00 3.54 -1.163345074e+00 -1.163345074e+00 3.56 -1.123372778e+00 -1.123372778e+00 3.58 -1.085147308e+00 -1.085147308e+00 3.60 -1.048478904e+00 -1.048478904e+00 3.62 -1.013159114e+00 -1.013159114e+00 3.64 -9.789652309e-01 -9.789652309e-01 3.66 -9.456841440e-01 -9.456841440e-01 3.68 -9.174663899e-01 -9.174663899e-01 3.70 -8.878920316e-01 -8.878920316e-01 3.72 -8.594115008e-01 -8.594115008e-01 3.74 -8.319150687e-01 -8.319150687e-01 3.76 -8.052870478e-01 -8.052870478e-01 3.78 -7.794058203e-01 -7.794058203e-01 3.80 -7.541437003e-01 -7.541437003e-01 3.82 -7.293669433e-01 -7.293669433e-01 3.84 -7.049350625e-01 -7.049350625e-01 3.86 -6.807093653e-01 -6.807093653e-01 3.88 -6.566233759e-01 -6.566233759e-01 3.90 -6.326488587e-01 -6.326488587e-01 3.92 -6.087566400e-01 -6.087566400e-01 3.94 -5.849177880e-01 -5.849177880e-01 3.96 -5.611054982e-01 -5.611054982e-01 3.98 -5.372949111e-01 -5.372949111e-01 4.00 -5.134631891e-01 -5.134631891e-01 4.02 -4.895899378e-01 -4.895899378e-01 4.04 -4.656577763e-01 -4.656577763e-01 4.06 -4.416527335e-01 -4.416527335e-01 4.08 -4.175645123e-01 -4.175645123e-01 4.10 -3.933871829e-01 -3.933871829e-01 4.12 -3.691191979e-01 -3.691191979e-01 4.14 -3.447544141e-01 -3.447544141e-01 4.16 -3.202763133e-01 -3.202763133e-01 4.18 -2.956727160e-01 -2.956727160e-01 4.20 -2.709448879e-01 -2.709448879e-01 4.22 -2.461399144e-01 -2.461399144e-01 4.24 -2.213247942e-01 -2.213247942e-01 4.26 -1.965731753e-01 -1.965731753e-01 4.28 -1.719653829e-01 -1.719653829e-01 4.30 -1.475884018e-01 -1.475884018e-01 4.32 -1.235345039e-01 -1.235345039e-01 4.34 -9.989254631e-02 -9.989254631e-02 4.36 -7.676446789e-02 -7.676446789e-02 4.38 -5.479898417e-02 -5.479898417e-02 4.40 -3.660242428e-02 -3.660242428e-02 4.42 -2.451164489e-02 -2.451164489e-02 4.44 -1.997818595e-02 -1.997818595e-02 4.46 -2.360901844e-02 -2.360901844e-02 4.48 -3.524701725e-02 -3.524701725e-02 4.50 -5.408916761e-02 -5.408916761e-02 4.52 -7.884670435e-02 -7.884670435e-02 4.54 -1.080481565e-01 -1.080481565e-01 4.56 -1.403095108e-01 -1.403095108e-01 4.58 -1.744365659e-01 -1.744365659e-01 4.60 -2.095157670e-01 -2.095157670e-01 4.62 -2.449654134e-01 -2.449654134e-01 4.64 -2.805413700e-01 -2.805413700e-01 4.66 -3.162955916e-01 -3.162955916e-01 4.68 -3.524935451e-01 -3.524935451e-01 4.70 -3.895040383e-01 -3.895040383e-01 4.72 -4.276696690e-01 -4.276696690e-01 4.74 -4.671814305e-01 -4.671814305e-01 4.76 -5.079694776e-01 -5.079694776e-01 4.78 -5.496185904e-01 -5.496185904e-01 4.80 -5.913450120e-01 -5.913450120e-01 4.82 -6.320393382e-01 -6.320393382e-01 4.84 -6.703343963e-01 -6.703343963e-01 4.86 -7.047221208e-01 -7.047221208e-01 4.88 -7.336787397e-01 -7.336787397e-01 4.90 -7.557959251e-01 -7.557959251e-01 4.92 -7.698892112e-01 -7.698892112e-01 4.94 -7.750755300e-01 -7.750755300e-01 4.96 -7.708233983e-01 -7.708233983e-01 4.98 -7.569678336e-01 -7.569678336e-01 5.00 -7.336927803e-01 -7.336927803e-01 5.02 -7.014986215e-01 -7.014986215e-01 5.04 -6.611551910e-01 -6.611551910e-01 5.06 -6.136555133e-01 -6.136555133e-01 5.08 -5.601810637e-01 -5.601810637e-01 5.10 -5.020803593e-01 -5.020803593e-01 5.12 -4.408388338e-01 -4.408388338e-01 5.14 -3.780377894e-01 -3.780377894e-01 5.16 -3.153085432e-01 -3.153085432e-01 5.18 -2.542745475e-01 -2.542745475e-01 5.20 -1.809007038e-01 -1.809007038e-01 5.22 -1.247819364e-01 -1.247819364e-01 5.24 -7.515000875e-02 -7.515000875e-02 5.26 -3.319814614e-02 -3.319814614e-02 5.28 3.595368465e-04 3.595368465e-04 5.30 2.533961883e-02 2.533961883e-02 5.32 4.209122700e-02 4.209122700e-02 5.34 5.144253882e-02 5.144253882e-02 5.36 5.459224125e-02 5.459224125e-02 5.38 5.296045660e-02 5.296045660e-02 5.40 4.802236925e-02 4.802236925e-02 5.42 4.115363322e-02 4.115363322e-02 5.44 3.351339022e-02 3.351339022e-02 5.46 2.598029883e-02 2.598029883e-02 5.48 1.914185011e-02 1.914185011e-02 5.50 1.332617594e-02 1.332617594e-02 5.52 8.657175734e-03 8.657175734e-03 5.54 5.113327710e-03 5.113327710e-03 5.56 2.579455350e-03 2.579455350e-03 5.58 8.940903804e-04 8.940903804e-04 5.60 -1.195864223e-04 -1.195864223e-04 5.62 -6.337584291e-04 -6.337584291e-04 5.64 -8.034889284e-04 -8.034889284e-04 5.66 -7.596792540e-04 -7.596792540e-04 5.68 -6.059809178e-04 -6.059809178e-04 5.70 -4.183533507e-04 -4.183533507e-04 5.72 -2.466956275e-04 -2.466956275e-04 5.74 -1.180783187e-04 -1.180783187e-04 5.76 -4.037438464e-05 -4.037438464e-05 5.78 -6.698963923e-06 -6.698963923e-06 5.80 -4.068251074e-08 -4.068251074e-08 5.82 2.144209113e-06 2.144209113e-06 5.84 2.400720000e-05 2.400720000e-05 5.86 8.969214461e-05 8.969214461e-05 5.88 2.233982123e-04 2.233982123e-04 5.90 4.492771203e-04 4.492771203e-04 5.92 7.915350301e-04 7.915350301e-04 5.94 1.274165205e-03 1.274165205e-03 5.96 1.921093810e-03 1.921093810e-03 5.98 2.756151352e-03 2.756151352e-03 6.00 1.864838900e-03 1.791006885e-03