# 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 = CoCrCu2 # 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 -3.881142946e+02 -3.881142946e+02 1.06 -3.665230540e+02 -3.665230540e+02 1.08 -3.461746434e+02 -3.461746434e+02 1.10 -3.268254045e+02 -3.268254045e+02 1.12 -3.075249109e+02 -3.075249109e+02 1.14 -2.881210934e+02 -2.881210934e+02 1.16 -2.696244650e+02 -2.696244650e+02 1.18 -2.523108201e+02 -2.523108201e+02 1.20 -2.373774515e+02 -2.373774515e+02 1.22 -2.250252257e+02 -2.250252257e+02 1.24 -2.139632293e+02 -2.139632293e+02 1.26 -2.030769345e+02 -2.030769345e+02 1.28 -1.932110700e+02 -1.932110700e+02 1.30 -1.836578108e+02 -1.836578108e+02 1.32 -1.742596293e+02 -1.742596293e+02 1.34 -1.646101696e+02 -1.646101696e+02 1.36 -1.553236934e+02 -1.553236934e+02 1.38 -1.465619357e+02 -1.465619357e+02 1.40 -1.389058083e+02 -1.389058083e+02 1.42 -1.315859322e+02 -1.315859322e+02 1.44 -1.241300192e+02 -1.241300192e+02 1.46 -1.167574320e+02 -1.167574320e+02 1.48 -1.090896273e+02 -1.090896273e+02 1.50 -1.015148779e+02 -1.015148779e+02 1.52 -9.425307491e+01 -9.425307491e+01 1.54 -8.728416087e+01 -8.728416087e+01 1.56 -8.035889439e+01 -8.035889439e+01 1.58 -7.319612349e+01 -7.319612349e+01 1.60 -6.545369572e+01 -6.545369572e+01 1.62 -5.701977803e+01 -5.701977803e+01 1.64 -4.836662439e+01 -4.836662439e+01 1.66 -4.018125981e+01 -4.018125981e+01 1.68 -3.248185590e+01 -3.248185590e+01 1.70 -2.542795793e+01 -2.542795793e+01 1.72 -1.903880006e+01 -1.903880006e+01 1.74 -1.350605064e+01 -1.350605064e+01 1.76 -8.906641921e+00 -8.906641921e+00 1.78 -5.463642867e+00 -5.463642867e+00 1.80 -3.223585057e+00 -3.223585057e+00 1.82 -1.727477414e+00 -1.727477414e+00 1.84 -7.460712695e-01 -7.460712695e-01 1.86 -1.388776488e-01 -1.388776488e-01 1.88 1.653193098e-01 1.653193098e-01 1.90 2.468728359e-01 2.468728359e-01 1.92 1.816764089e-01 1.816764089e-01 1.94 2.398255495e-02 2.398255495e-02 1.96 -1.940474429e-01 -1.940474429e-01 1.98 -4.517798471e-01 -4.517798471e-01 2.00 -7.424773586e-01 -7.424774526e-01 2.02 -1.057060616e+00 -1.057060616e+00 2.04 -1.377610625e+00 -1.377610625e+00 2.06 -1.702654227e+00 -1.702654227e+00 2.08 -2.024592130e+00 -2.024592130e+00 2.10 -2.333460915e+00 -2.333460915e+00 2.12 -2.617669778e+00 -2.617669778e+00 2.14 -2.876523848e+00 -2.876523848e+00 2.16 -3.090238683e+00 -3.090238683e+00 2.18 -3.261358360e+00 -3.261358360e+00 2.20 -3.391986972e+00 -3.391986972e+00 2.22 -3.487187251e+00 -3.487187251e+00 2.24 -3.553147310e+00 -3.553147310e+00 2.26 -3.594721159e+00 -3.594721159e+00 2.28 -3.619543465e+00 -3.619543465e+00 2.30 -3.636991671e+00 -3.636991671e+00 2.32 -3.654642946e+00 -3.654642946e+00 2.34 -3.676747805e+00 -3.676747805e+00 2.36 -3.700668971e+00 -3.700668971e+00 2.38 -3.726565721e+00 -3.726565721e+00 2.40 -3.750984472e+00 -3.750984472e+00 2.42 -3.772621700e+00 -3.772621700e+00 2.44 -3.789068025e+00 -3.789068025e+00 2.46 -3.799122895e+00 -3.799122895e+00 2.48 -3.802782719e+00 -3.802782719e+00 2.50 -3.800643336e+00 -3.800643336e+00 2.52 -3.793039810e+00 -3.793039810e+00 2.54 -3.780225040e+00 -3.780225040e+00 2.56 -3.762521318e+00 -3.762521318e+00 2.58 -3.740355076e+00 -3.740355076e+00 2.60 -3.714526841e+00 -3.714526841e+00 2.62 -3.685717894e+00 -3.685717894e+00 2.64 -3.654801204e+00 -3.654801204e+00 2.66 -3.622530331e+00 -3.622530331e+00 2.68 -3.589340876e+00 -3.589340876e+00 2.70 -3.555418169e+00 -3.555418169e+00 2.72 -3.520776165e+00 -3.520776165e+00 2.74 -3.485280483e+00 -3.485280483e+00 2.76 -3.448703792e+00 -3.448703792e+00 2.78 -3.410737042e+00 -3.410737042e+00 2.80 -3.370922746e+00 -3.370922746e+00 2.82 -3.328690756e+00 -3.328690756e+00 2.84 -3.283455276e+00 -3.283455276e+00 2.86 -3.234869745e+00 -3.234869745e+00 2.88 -3.182857113e+00 -3.182857113e+00 2.90 -3.127181447e+00 -3.127181447e+00 2.92 -3.067833366e+00 -3.067833366e+00 2.94 -3.004938438e+00 -3.004938438e+00 2.96 -2.938727117e+00 -2.938727117e+00 2.98 -2.869473279e+00 -2.869473279e+00 3.00 -2.798031018e+00 -2.798031018e+00 3.02 -2.725341717e+00 -2.725341717e+00 3.04 -2.650339438e+00 -2.650339438e+00 3.06 -2.574359946e+00 -2.574359946e+00 3.08 -2.498140102e+00 -2.498140102e+00 3.10 -2.422227953e+00 -2.422227953e+00 3.12 -2.347137512e+00 -2.347137512e+00 3.14 -2.282953411e+00 -2.282953411e+00 3.16 -2.217726370e+00 -2.217726370e+00 3.18 -2.156986969e+00 -2.156986969e+00 3.20 -2.101002250e+00 -2.101002250e+00 3.22 -2.049615353e+00 -2.049615353e+00 3.24 -2.002300206e+00 -2.002300206e+00 3.26 -1.958205268e+00 -1.958205268e+00 3.28 -1.916224280e+00 -1.916224280e+00 3.30 -1.875122410e+00 -1.875122410e+00 3.32 -1.833704253e+00 -1.833704253e+00 3.34 -1.790992551e+00 -1.790992551e+00 3.36 -1.746419576e+00 -1.746419576e+00 3.38 -1.699899395e+00 -1.699899395e+00 3.40 -1.651750116e+00 -1.651750116e+00 3.42 -1.602571680e+00 -1.602571680e+00 3.44 -1.553103996e+00 -1.553103996e+00 3.46 -1.504072157e+00 -1.504072157e+00 3.48 -1.456064388e+00 -1.456064388e+00 3.50 -1.409463388e+00 -1.409463388e+00 3.52 -1.364429755e+00 -1.364429755e+00 3.54 -1.320926456e+00 -1.320926456e+00 3.56 -1.278769990e+00 -1.278769990e+00 3.58 -1.237696749e+00 -1.237696749e+00 3.60 -1.197410496e+00 -1.197410496e+00 3.62 -1.157593400e+00 -1.157593400e+00 3.64 -1.117913551e+00 -1.117913551e+00 3.66 -1.078054108e+00 -1.078054108e+00 3.68 -1.046127860e+00 -1.046127860e+00 3.70 -1.009830352e+00 -1.009830352e+00 3.72 -9.740124198e-01 -9.740124198e-01 3.74 -9.385836669e-01 -9.385836669e-01 3.76 -9.034502507e-01 -9.034502507e-01 3.78 -8.685149197e-01 -8.685149197e-01 3.80 -8.336770736e-01 -8.336770736e-01 3.82 -7.988326692e-01 -7.988326692e-01 3.84 -7.638739674e-01 -7.638739674e-01 3.86 -7.287010951e-01 -7.287010951e-01 3.88 -6.933154575e-01 -6.933154575e-01 3.90 -6.577740476e-01 -6.577740476e-01 3.92 -6.221375639e-01 -6.221375639e-01 3.94 -5.864622024e-01 -5.864622024e-01 3.96 -5.507922293e-01 -5.507922293e-01 3.98 -5.151726035e-01 -5.151726035e-01 4.00 -4.796504302e-01 -4.796504302e-01 4.02 -4.442752208e-01 -4.442752208e-01 4.04 -4.090990413e-01 -4.090990413e-01 4.06 -3.741765497e-01 -3.741765497e-01 4.08 -3.395650530e-01 -3.395650530e-01 4.10 -3.055193446e-01 -3.055193446e-01 4.12 -2.731932346e-01 -2.731932346e-01 4.14 -2.436864040e-01 -2.436864040e-01 4.16 -2.177094665e-01 -2.177094665e-01 4.18 -1.956196592e-01 -1.956196592e-01 4.20 -1.774556966e-01 -1.774556966e-01 4.22 -1.629966418e-01 -1.629966418e-01 4.24 -1.517790513e-01 -1.517790513e-01 4.26 -1.431298226e-01 -1.431298226e-01 4.28 -1.362160604e-01 -1.362160604e-01 4.30 -1.300991252e-01 -1.300991252e-01 4.32 -1.237947491e-01 -1.237947491e-01 4.34 -1.163359149e-01 -1.163359149e-01 4.36 -1.068390602e-01 -1.068390602e-01 4.38 -9.456934439e-02 -9.456934439e-02 4.40 -7.900400086e-02 -7.900400086e-02 4.42 -6.000752198e-02 -6.000752198e-02 4.44 -3.885462562e-02 -3.885462562e-02 4.46 -1.720154297e-02 -1.720154297e-02 4.48 3.674051414e-03 3.674051414e-03 4.50 2.225358188e-02 2.225358188e-02 4.52 3.681087736e-02 3.681087736e-02 4.54 4.554302703e-02 4.554302703e-02 4.56 4.682660784e-02 4.682660784e-02 4.58 3.941540140e-02 3.941540140e-02 4.60 2.256712083e-02 2.256712083e-02 4.62 -3.899520828e-03 -3.899520828e-03 4.64 -3.963103811e-02 -3.963103811e-02 4.66 -8.384127780e-02 -8.384127780e-02 4.68 -1.354598874e-01 -1.354598874e-01 4.70 -1.932852055e-01 -1.932852055e-01 4.72 -2.561029234e-01 -2.561029234e-01 4.74 -3.227444841e-01 -3.227444841e-01 4.76 -3.920923908e-01 -3.920923908e-01 4.78 -4.630364098e-01 -4.630364098e-01 4.80 -5.344292230e-01 -5.344292230e-01 4.82 -6.050530128e-01 -6.050530128e-01 4.84 -6.735975459e-01 -6.735975459e-01 4.86 -7.386523307e-01 -7.386523307e-01 4.88 -7.987180426e-01 -7.987180426e-01 4.90 -8.522368270e-01 -8.522368270e-01 4.92 -8.976373279e-01 -8.976373279e-01 4.94 -9.333964804e-01 -9.333964804e-01 4.96 -9.581066649e-01 -9.581066649e-01 4.98 -9.705478508e-01 -9.705478508e-01 5.00 -9.697607293e-01 -9.697607293e-01 5.02 -9.551137835e-01 -9.551137835e-01 5.04 -9.263684767e-01 -9.263684767e-01 5.06 -8.837326810e-01 -8.837326810e-01 5.08 -8.279037567e-01 -8.279037567e-01 5.10 -7.600964533e-01 -7.600964533e-01 5.12 -6.820467515e-01 -6.820467515e-01 5.14 -5.959896477e-01 -5.959896477e-01 5.16 -5.045998486e-01 -5.045998486e-01 5.18 -4.108938008e-01 -4.108938008e-01 5.20 -3.297751586e-01 -3.297751586e-01 5.22 -2.443963608e-01 -2.443963608e-01 5.24 -1.665534743e-01 -1.665534743e-01 5.26 -9.880184150e-02 -9.880184150e-02 5.28 -4.289919105e-02 -4.289919105e-02 5.30 3.155893984e-04 3.155893984e-04 5.32 3.095272467e-02 3.095272467e-02 5.34 4.999704416e-02 4.999704416e-02 5.36 5.913079473e-02 5.913079473e-02 5.38 6.047792317e-02 6.047792317e-02 5.40 5.631316631e-02 5.631316631e-02 5.42 4.878922160e-02 4.878922160e-02 5.44 3.972961290e-02 3.972961290e-02 5.46 3.051484771e-02 3.051484771e-02 5.48 2.206279922e-02 2.206279922e-02 5.50 1.488228391e-02 1.488228391e-02 5.52 9.165470734e-03 9.165470734e-03 5.54 4.889436479e-03 4.889436479e-03 5.56 1.904457554e-03 1.904457554e-03 5.58 -3.012151015e-06 -3.012151015e-06 5.60 -1.066869686e-03 -1.066869686e-03 5.62 -1.513721437e-03 -1.513721437e-03 5.64 -1.546556216e-03 -1.546556216e-03 5.66 -1.335624447e-03 -1.335624447e-03 5.68 -1.014526617e-03 -1.014526617e-03 5.70 -6.798566457e-04 -6.798566457e-04 5.72 -3.932919119e-04 -3.932919119e-04 5.74 -1.858688483e-04 -1.858688483e-04 5.76 -6.302645414e-05 -6.302645414e-05 5.78 -1.039816255e-05 -1.039816255e-05 5.80 -5.045671394e-08 -5.045671394e-08 5.82 3.336179978e-06 3.336179978e-06 5.84 3.724888371e-05 3.724888371e-05 5.86 1.391633163e-04 1.391633163e-04 5.88 3.466344361e-04 3.466344361e-04 5.90 6.971206957e-04 6.971206957e-04 5.92 1.228146658e-03 1.228146658e-03 5.94 1.976941343e-03 1.976941343e-03 5.96 2.980533900e-03 2.980533900e-03 5.98 4.275549839e-03 4.275549839e-03 6.00 2.813588483e-03 2.857256552e-03