# 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 = CoCu2Ni # 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 -3.825326432e+02 -3.825326432e+02 1.06 -3.613147408e+02 -3.613147408e+02 1.08 -3.413311716e+02 -3.413311716e+02 1.10 -3.223204706e+02 -3.223204706e+02 1.12 -3.033481586e+02 -3.033481586e+02 1.14 -2.842519057e+02 -2.842519057e+02 1.16 -2.660343065e+02 -2.660343065e+02 1.18 -2.489484714e+02 -2.489484714e+02 1.20 -2.341519506e+02 -2.341519506e+02 1.22 -2.218682841e+02 -2.218682841e+02 1.24 -2.108866339e+02 -2.108866339e+02 1.26 -2.001338614e+02 -2.001338614e+02 1.28 -1.904418681e+02 -1.904418681e+02 1.30 -1.810757118e+02 -1.810757118e+02 1.32 -1.718811279e+02 -1.718811279e+02 1.34 -1.624545845e+02 -1.624545845e+02 1.36 -1.533834411e+02 -1.533834411e+02 1.38 -1.447942944e+02 -1.447942944e+02 1.40 -1.372566684e+02 -1.372566684e+02 1.42 -1.300180967e+02 -1.300180967e+02 1.44 -1.226346950e+02 -1.226346950e+02 1.46 -1.153358476e+02 -1.153358476e+02 1.48 -1.077332119e+02 -1.077332119e+02 1.50 -1.002043959e+02 -1.002043959e+02 1.52 -9.296549918e+01 -9.296549918e+01 1.54 -8.600231952e+01 -8.600231952e+01 1.56 -7.908352051e+01 -7.908352051e+01 1.58 -7.195697407e+01 -7.195697407e+01 1.60 -6.430267941e+01 -6.430267941e+01 1.62 -5.600727821e+01 -5.600727821e+01 1.64 -4.751893864e+01 -4.751893864e+01 1.66 -3.949885414e+01 -3.949885414e+01 1.68 -3.194723020e+01 -3.194723020e+01 1.70 -2.501581703e+01 -2.501581703e+01 1.72 -1.871930546e+01 -1.871930546e+01 1.74 -1.324762353e+01 -1.324762353e+01 1.76 -8.657441350e+00 -8.657441350e+00 1.78 -5.272767218e+00 -5.272767218e+00 1.80 -3.071853437e+00 -3.071853437e+00 1.82 -1.603918573e+00 -1.603918573e+00 1.84 -6.435430855e-01 -6.435430855e-01 1.86 -5.370298792e-02 -5.370298792e-02 1.88 2.352578426e-01 2.352578426e-01 1.90 3.028897536e-01 3.028897536e-01 1.92 2.249084897e-01 2.249084897e-01 1.94 5.564768565e-02 5.564768565e-02 1.96 -1.724621359e-01 -1.724621359e-01 1.98 -4.387025994e-01 -4.387025994e-01 2.00 -7.356323366e-01 -7.356324705e-01 2.02 -1.054177422e+00 -1.054177422e+00 2.04 -1.378019693e+00 -1.378019693e+00 2.06 -1.705540158e+00 -1.705540158e+00 2.08 -2.029774042e+00 -2.029774042e+00 2.10 -2.341670364e+00 -2.341670364e+00 2.12 -2.630681410e+00 -2.630681410e+00 2.14 -2.894071365e+00 -2.894071365e+00 2.16 -3.115190125e+00 -3.115190125e+00 2.18 -3.294229088e+00 -3.294229088e+00 2.20 -3.431752209e+00 -3.431752209e+00 2.22 -3.531624538e+00 -3.531624538e+00 2.24 -3.599559273e+00 -3.599559273e+00 2.26 -3.641398427e+00 -3.641398427e+00 2.28 -3.666838370e+00 -3.666838370e+00 2.30 -3.685597759e+00 -3.685597759e+00 2.32 -3.705411373e+00 -3.705411373e+00 2.34 -3.727907405e+00 -3.727907405e+00 2.36 -3.752262675e+00 -3.752262675e+00 2.38 -3.778371145e+00 -3.778371145e+00 2.40 -3.801109392e+00 -3.801109392e+00 2.42 -3.822021918e+00 -3.822021918e+00 2.44 -3.837355144e+00 -3.837355144e+00 2.46 -3.846175640e+00 -3.846175640e+00 2.48 -3.848899397e+00 -3.848899397e+00 2.50 -3.846038072e+00 -3.846038072e+00 2.52 -3.837718988e+00 -3.837718988e+00 2.54 -3.824162682e+00 -3.824162682e+00 2.56 -3.805690547e+00 -3.805690547e+00 2.58 -3.782726688e+00 -3.782726688e+00 2.60 -3.755776639e+00 -3.755776639e+00 2.62 -3.725834905e+00 -3.725834905e+00 2.64 -3.693628963e+00 -3.693628963e+00 2.66 -3.659909626e+00 -3.659909626e+00 2.68 -3.625111235e+00 -3.625111235e+00 2.70 -3.589425495e+00 -3.589425495e+00 2.72 -3.552882333e+00 -3.552882333e+00 2.74 -3.515374660e+00 -3.515374660e+00 2.76 -3.476725189e+00 -3.476725189e+00 2.78 -3.436696201e+00 -3.436696201e+00 2.80 -3.394933049e+00 -3.394933049e+00 2.82 -3.350983007e+00 -3.350983007e+00 2.84 -3.304369598e+00 -3.304369598e+00 2.86 -3.254749597e+00 -3.254749597e+00 2.88 -3.201516949e+00 -3.201516949e+00 2.90 -3.144246899e+00 -3.144246899e+00 2.92 -3.083010477e+00 -3.083010477e+00 2.94 -3.018194105e+00 -3.018194105e+00 2.96 -2.950176373e+00 -2.950176373e+00 2.98 -2.879045676e+00 -2.879045676e+00 3.00 -2.805410439e+00 -2.805410439e+00 3.02 -2.730187459e+00 -2.730187459e+00 3.04 -2.652569288e+00 -2.652569288e+00 3.06 -2.573947501e+00 -2.573947501e+00 3.08 -2.495012430e+00 -2.495012430e+00 3.10 -2.416242291e+00 -2.416242291e+00 3.12 -2.338024202e+00 -2.338024202e+00 3.14 -2.269434328e+00 -2.269434328e+00 3.16 -2.199882659e+00 -2.199882659e+00 3.18 -2.134702845e+00 -2.134702845e+00 3.20 -2.074389655e+00 -2.074389655e+00 3.22 -2.018926884e+00 -2.018926884e+00 3.24 -1.967876112e+00 -1.967876112e+00 3.26 -1.920444296e+00 -1.920444296e+00 3.28 -1.875567226e+00 -1.875567226e+00 3.30 -1.832042957e+00 -1.832042957e+00 3.32 -1.788701692e+00 -1.788701692e+00 3.34 -1.744580982e+00 -1.744580982e+00 3.36 -1.699115754e+00 -1.699115754e+00 3.38 -1.652203669e+00 -1.652203669e+00 3.40 -1.604125070e+00 -1.604125070e+00 3.42 -1.555433130e+00 -1.555433130e+00 3.44 -1.506809520e+00 -1.506809520e+00 3.46 -1.458916660e+00 -1.458916660e+00 3.48 -1.412283600e+00 -1.412283600e+00 3.50 -1.367242770e+00 -1.367242770e+00 3.52 -1.323915889e+00 -1.323915889e+00 3.54 -1.282238811e+00 -1.282238811e+00 3.56 -1.242010697e+00 -1.242010697e+00 3.58 -1.202957617e+00 -1.202957617e+00 3.60 -1.164777578e+00 -1.164777578e+00 3.62 -1.127150848e+00 -1.127150848e+00 3.64 -1.089748644e+00 -1.089748644e+00 3.66 -1.052264898e+00 -1.052264898e+00 3.68 -1.022205252e+00 -1.022205252e+00 3.70 -9.881518100e-01 -9.881518100e-01 3.72 -9.545934331e-01 -9.545934331e-01 3.74 -9.214379866e-01 -9.214379866e-01 3.76 -8.885911348e-01 -8.885911348e-01 3.78 -8.559563921e-01 -8.559563921e-01 3.80 -8.234352641e-01 -8.234352641e-01 3.82 -7.909271014e-01 -7.909271014e-01 3.84 -7.583290072e-01 -7.583290072e-01 3.86 -7.255469878e-01 -7.255469878e-01 3.88 -6.925845177e-01 -6.925845177e-01 3.90 -6.594977745e-01 -6.594977745e-01 3.92 -6.263461885e-01 -6.263461885e-01 3.94 -5.931859724e-01 -5.931859724e-01 3.96 -5.600643782e-01 -5.600643782e-01 3.98 -5.270293859e-01 -5.270293859e-01 4.00 -4.941306975e-01 -4.941306975e-01 4.02 -4.614199810e-01 -4.614199810e-01 4.04 -4.289508728e-01 -4.289508728e-01 4.06 -3.967790262e-01 -3.967790262e-01 4.08 -3.649620321e-01 -3.649620321e-01 4.10 -3.335594647e-01 -3.335594647e-01 4.12 -3.026325839e-01 -3.026325839e-01 4.14 -2.722448364e-01 -2.722448364e-01 4.16 -2.427404917e-01 -2.427404917e-01 4.18 -2.146393814e-01 -2.146393814e-01 4.20 -1.882633047e-01 -1.882633047e-01 4.22 -1.637674327e-01 -1.637674327e-01 4.24 -1.411468629e-01 -1.411468629e-01 4.26 -1.202562799e-01 -1.202562799e-01 4.28 -1.008426212e-01 -1.008426212e-01 4.30 -8.258072691e-02 -8.258072691e-02 4.32 -6.511094322e-02 -6.511094322e-02 4.34 -4.807791235e-02 -4.807791235e-02 4.36 -3.116924956e-02 -3.116924956e-02 4.38 -1.415189499e-02 -1.415189499e-02 4.40 3.096082643e-03 3.096082643e-03 4.42 2.056248535e-02 2.056248535e-02 4.44 3.809982970e-02 3.809982970e-02 4.46 5.632014138e-02 5.632014138e-02 4.48 7.648317242e-02 7.648317242e-02 4.50 9.746505021e-02 9.746505021e-02 4.52 1.173074652e-01 1.173074652e-01 4.54 1.340131281e-01 1.340131281e-01 4.56 1.458267997e-01 1.458267997e-01 4.58 1.514105087e-01 1.514105087e-01 4.60 1.499680367e-01 1.499680367e-01 4.62 1.412954751e-01 1.412954751e-01 4.64 1.257494350e-01 1.257494350e-01 4.66 1.041451977e-01 1.041451977e-01 4.68 7.758387140e-02 7.758387140e-02 4.70 4.728766610e-02 4.728766610e-02 4.72 1.464031888e-02 1.464031888e-02 4.74 -1.893511794e-02 -1.893511794e-02 4.76 -5.212084931e-02 -5.212084931e-02 4.78 -8.381045036e-02 -8.381045036e-02 4.80 -1.131805233e-01 -1.131805233e-01 4.82 -1.397148242e-01 -1.397148242e-01 4.84 -1.631730277e-01 -1.631730277e-01 4.86 -1.835152563e-01 -1.835152563e-01 4.88 -2.008101948e-01 -2.008101948e-01 4.90 -2.151406319e-01 -2.151406319e-01 4.92 -2.265297022e-01 -2.265297022e-01 4.94 -2.348914443e-01 -2.348914443e-01 4.96 -2.400162975e-01 -2.400162975e-01 4.98 -2.415963532e-01 -2.415963532e-01 5.00 -2.392626575e-01 -2.392626575e-01 5.02 -2.326414842e-01 -2.326414842e-01 5.04 -2.214390696e-01 -2.214390696e-01 5.06 -2.055158720e-01 -2.055158720e-01 5.08 -1.849391082e-01 -1.849391082e-01 5.10 -1.600126757e-01 -1.600126757e-01 5.12 -1.312900840e-01 -1.312900840e-01 5.14 -9.958137724e-02 -9.958137724e-02 5.16 -6.593154370e-02 -6.593154370e-02 5.18 -3.158292955e-02 -3.158292955e-02 5.20 -1.917171581e-02 -1.917171581e-02 5.22 6.992923446e-03 6.992923446e-03 5.24 2.970125056e-02 2.970125056e-02 5.26 4.807378774e-02 4.807378774e-02 5.28 6.155109879e-02 6.155109879e-02 5.30 6.994004953e-02 6.994004953e-02 5.32 7.342393011e-02 7.342393011e-02 5.34 7.253074754e-02 7.253074754e-02 5.36 6.806013937e-02 6.806013937e-02 5.38 6.097871929e-02 6.097871929e-02 5.40 5.230025147e-02 5.230025147e-02 5.42 4.297237791e-02 4.297237791e-02 5.44 3.378910419e-02 3.378910419e-02 5.46 2.534067368e-02 2.534067368e-02 5.48 1.800248225e-02 1.800248225e-02 5.50 1.195561939e-02 1.195561939e-02 5.52 7.225558389e-03 7.225558389e-03 5.54 3.727579511e-03 3.727579511e-03 5.56 1.308538940e-03 1.308538940e-03 5.58 -2.193319819e-04 -2.193319819e-04 5.60 -1.053379000e-03 -1.053379000e-03 5.62 -1.382294668e-03 -1.382294668e-03 5.64 -1.374563643e-03 -1.374563643e-03 5.66 -1.171195831e-03 -1.171195831e-03 5.68 -8.826322788e-04 -8.826322788e-04 5.70 -5.885151960e-04 -5.885151960e-04 5.72 -3.393225252e-04 -3.393225252e-04 5.74 -1.600059591e-04 -1.600059591e-04 5.76 -5.418534512e-05 -5.418534512e-05 5.78 -8.928594632e-06 -8.928594632e-06 5.80 -4.392178994e-08 -4.392178994e-08 5.82 2.861801683e-06 2.861801683e-06 5.84 3.196952984e-05 3.196952984e-05 5.86 1.194914341e-04 1.194914341e-04 5.88 2.976378435e-04 2.976378435e-04 5.90 5.986231294e-04 5.986231294e-04 5.92 1.054691235e-03 1.054691235e-03 5.94 1.697918821e-03 1.697918821e-03 5.96 2.560306166e-03 2.560306166e-03 5.98 3.673714650e-03 3.673714650e-03 6.00 2.408465865e-03 2.463784160e-03