# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Co2NiZr # 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 2024-04-11 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 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 1.717052956e+02 1.717052956e+02 1.30 1.579621845e+02 1.579621845e+02 1.32 1.452907727e+02 1.452907727e+02 1.34 1.336007337e+02 1.336007337e+02 1.36 1.228111021e+02 1.228111021e+02 1.38 1.128501585e+02 1.128501585e+02 1.40 1.036539026e+02 1.036539026e+02 1.42 9.516383695e+01 9.516383695e+01 1.44 8.732512484e+01 8.732512484e+01 1.46 8.008599083e+01 8.008599083e+01 1.48 7.339826014e+01 7.339826014e+01 1.50 6.721790876e+01 6.721790876e+01 1.52 6.150491857e+01 6.150491857e+01 1.54 5.622270339e+01 5.622270339e+01 1.56 5.133773452e+01 5.133773452e+01 1.58 4.681941637e+01 4.681941637e+01 1.60 4.263990656e+01 4.263990656e+01 1.62 3.877375296e+01 3.877375296e+01 1.64 3.519748548e+01 3.519748548e+01 1.66 3.188930136e+01 3.188930136e+01 1.68 2.882894206e+01 2.882894206e+01 1.70 2.599776527e+01 2.599776527e+01 1.72 2.337871226e+01 2.337871226e+01 1.74 2.095631253e+01 2.095631253e+01 1.76 1.871659166e+01 1.871659166e+01 1.78 1.664605240e+01 1.664605240e+01 1.80 1.473268895e+01 1.473268895e+01 1.82 1.296612945e+01 1.296612945e+01 1.84 1.133574909e+01 1.133574909e+01 1.86 9.831722709e+00 9.831722709e+00 1.88 8.445000292e+00 8.445000292e+00 1.90 7.167252199e+00 7.167252199e+00 1.92 5.990778138e+00 5.990778138e+00 1.94 4.908395804e+00 4.908395804e+00 1.96 3.913338396e+00 3.913338396e+00 1.98 2.999232451e+00 2.999232451e+00 2.00 2.160125809e+00 2.160125809e+00 2.02 1.390515511e+00 1.390515511e+00 2.04 6.853454027e-01 6.853454027e-01 2.06 3.996235669e-02 3.996235669e-02 2.08 -5.499551321e-01 -5.499551321e-01 2.10 -1.088452769e+00 -1.088452769e+00 2.12 -1.579328857e+00 -1.579328857e+00 2.14 -2.026135416e+00 -2.026135416e+00 2.16 -2.432156826e+00 -2.432156826e+00 2.18 -2.800404868e+00 -2.800404868e+00 2.20 -3.133629617e+00 -3.133629617e+00 2.22 -3.434364654e+00 -3.434364654e+00 2.24 -3.704970140e+00 -3.704970140e+00 2.26 -3.947661575e+00 -3.947661575e+00 2.28 -4.164531223e+00 -4.164531223e+00 2.30 -4.357532977e+00 -4.357532977e+00 2.32 -4.528506477e+00 -4.528506477e+00 2.34 -4.679160657e+00 -4.679160657e+00 2.36 -4.811090681e+00 -4.811090681e+00 2.38 -4.925774493e+00 -4.925774493e+00 2.40 -5.024573424e+00 -5.024573424e+00 2.42 -5.108743794e+00 -5.108743794e+00 2.44 -5.179477340e+00 -5.179477340e+00 2.46 -5.237911932e+00 -5.237911932e+00 2.48 -5.284999036e+00 -5.284999036e+00 2.50 -5.321652646e+00 -5.321652646e+00 2.52 -5.348751000e+00 -5.348751000e+00 2.54 -5.367128056e+00 -5.367128056e+00 2.56 -5.377568578e+00 -5.377568578e+00 2.58 -5.380799785e+00 -5.380799785e+00 2.60 -5.377363571e+00 -5.377363571e+00 2.62 -5.367659860e+00 -5.367659860e+00 2.64 -5.352091073e+00 -5.352091073e+00 2.66 -5.331043694e+00 -5.331043694e+00 2.68 -5.304903121e+00 -5.304903121e+00 2.70 -5.274110441e+00 -5.274110441e+00 2.72 -5.238987801e+00 -5.238987801e+00 2.74 -5.199845114e+00 -5.199845114e+00 2.76 -5.157009594e+00 -5.157009594e+00 2.78 -5.110812743e+00 -5.110812743e+00 2.80 -5.061573896e+00 -5.061573896e+00 2.82 -5.009490387e+00 -5.009490387e+00 2.84 -4.954714679e+00 -4.954714679e+00 2.86 -4.897401778e+00 -4.897401778e+00 2.88 -4.837654412e+00 -4.837654412e+00 2.90 -4.775524960e+00 -4.775524960e+00 2.92 -4.711085352e+00 -4.711085352e+00 2.94 -4.644429739e+00 -4.644429739e+00 2.96 -4.575673789e+00 -4.575673789e+00 2.98 -4.504953971e+00 -4.504953971e+00 3.00 -4.432426252e+00 -4.432426252e+00 3.02 -4.358263524e+00 -4.358263524e+00 3.04 -4.282649160e+00 -4.282649160e+00 3.06 -4.205779921e+00 -4.205779921e+00 3.08 -4.127844894e+00 -4.127844894e+00 3.10 -4.049029663e+00 -4.049029663e+00 3.12 -3.969507556e+00 -3.969507556e+00 3.14 -3.889447999e+00 -3.889447999e+00 3.16 -3.809003233e+00 -3.809003233e+00 3.18 -3.728321803e+00 -3.728321803e+00 3.20 -3.647548890e+00 -3.647548890e+00 3.22 -3.566829170e+00 -3.566829170e+00 3.24 -3.486309075e+00 -3.486309075e+00 3.26 -3.406138267e+00 -3.406138267e+00 3.28 -3.326469840e+00 -3.326469840e+00 3.30 -3.247458592e+00 -3.247458592e+00 3.32 -3.169256952e+00 -3.169256952e+00 3.34 -3.092008867e+00 -3.092008867e+00 3.36 -3.015842827e+00 -3.015842827e+00 3.38 -2.940865685e+00 -2.940865685e+00 3.40 -2.867157643e+00 -2.867157643e+00 3.42 -2.794776160e+00 -2.794776160e+00 3.44 -2.723750241e+00 -2.723750241e+00 3.46 -2.654089619e+00 -2.654089619e+00 3.48 -2.585787797e+00 -2.585787797e+00 3.50 -2.518826356e+00 -2.518826356e+00 3.52 -2.453178496e+00 -2.453178496e+00 3.54 -2.388811644e+00 -2.388811644e+00 3.56 -2.325689200e+00 -2.325689200e+00 3.58 -2.263771652e+00 -2.263771652e+00 3.60 -2.203017327e+00 -2.203017327e+00 3.62 -2.143383029e+00 -2.143383029e+00 3.64 -2.084824792e+00 -2.084824792e+00 3.66 -2.027298915e+00 -2.027298915e+00 3.68 -1.970763386e+00 -1.970763386e+00 3.70 -1.915179757e+00 -1.915179757e+00 3.72 -1.860515417e+00 -1.860515417e+00 3.74 -1.806746175e+00 -1.806746175e+00 3.76 -1.753858896e+00 -1.753858896e+00 3.78 -1.701853900e+00 -1.701853900e+00 3.80 -1.650746669e+00 -1.650746669e+00 3.82 -1.600568442e+00 -1.600568442e+00 3.84 -1.551365243e+00 -1.551365243e+00 3.86 -1.503195107e+00 -1.503195107e+00 3.88 -1.456123520e+00 -1.456123520e+00 3.90 -1.410217487e+00 -1.410217487e+00 3.92 -1.365537552e+00 -1.365537552e+00 3.94 -1.322137618e+00 -1.322137618e+00 3.96 -1.280050553e+00 -1.280050553e+00 3.98 -1.239291989e+00 -1.239291989e+00 4.00 -1.199857837e+00 -1.199857837e+00 4.02 -1.161725628e+00 -1.161725628e+00 4.04 -1.124857355e+00 -1.124857355e+00 4.06 -1.089203184e+00 -1.089203184e+00 4.08 -1.054705411e+00 -1.054705411e+00 4.10 -1.021298417e+00 -1.021298417e+00 4.12 -9.889277985e-01 -9.889277985e-01 4.14 -9.575279489e-01 -9.575279489e-01 4.16 -9.270417536e-01 -9.270417536e-01 4.18 -8.974173751e-01 -8.974173751e-01 4.20 -8.686092504e-01 -8.686092504e-01 4.22 -8.405786533e-01 -8.405786533e-01 4.24 -8.132938492e-01 -8.132938492e-01 4.26 -7.867298637e-01 -7.867298637e-01 4.28 -7.608678924e-01 -7.608678924e-01 4.30 -7.356944111e-01 -7.356944111e-01 4.32 -7.112000871e-01 -7.112000871e-01 4.34 -6.873786254e-01 -6.873786254e-01 4.36 -6.642256927e-01 -6.642256927e-01 4.38 -6.417380304e-01 -6.417380304e-01 4.40 -6.199128132e-01 -6.199128132e-01 4.42 -5.987472309e-01 -5.987472309e-01 4.44 -5.782382142e-01 -5.782382142e-01 4.46 -5.583821943e-01 -5.583821943e-01 4.48 -5.391747993e-01 -5.391747993e-01 4.50 -5.206104335e-01 -5.206104335e-01 4.52 -5.026817502e-01 -5.026817502e-01 4.54 -4.853790787e-01 -4.853790787e-01 4.56 -4.686899024e-01 -4.686899024e-01 4.58 -4.525984876e-01 -4.525984876e-01 4.60 -4.370857371e-01 -4.370857371e-01 4.62 -4.221293067e-01 -4.221293067e-01 4.64 -4.077039790e-01 -4.077039790e-01 4.66 -3.937822531e-01 -3.937822531e-01 4.68 -3.803350922e-01 -3.803350922e-01 4.70 -3.673327621e-01 -3.673327621e-01 4.72 -3.547457030e-01 -3.547457030e-01 4.74 -3.425453874e-01 -3.425453874e-01 4.76 -3.307051311e-01 -3.307051311e-01 4.78 -3.192008348e-01 -3.192008348e-01 4.80 -3.080084849e-01 -3.080084849e-01 4.82 -2.971178254e-01 -2.971178254e-01 4.84 -2.865121614e-01 -2.865121614e-01 4.86 -2.761829874e-01 -2.761829874e-01 4.88 -2.661261991e-01 -2.661261991e-01 4.90 -2.563418528e-01 -2.563418528e-01 4.92 -2.468336524e-01 -2.468336524e-01 4.94 -2.376081708e-01 -2.376081708e-01 4.96 -2.286738400e-01 -2.286738400e-01 4.98 -2.200397865e-01 -2.200397865e-01 5.00 -2.117146139e-01 -2.117146139e-01 5.02 -2.037052563e-01 -2.037052563e-01 5.04 -1.960160148e-01 -1.960160148e-01 5.06 -1.886478699e-01 -1.886478699e-01 5.08 -1.815979933e-01 -1.815979933e-01 5.10 -1.748598897e-01 -1.748598897e-01 5.12 -1.684238657e-01 -1.684238657e-01 5.14 -1.622772226e-01 -1.622772226e-01 5.16 -1.564049153e-01 -1.564049153e-01 5.18 -1.507902804e-01 -1.507902804e-01 5.20 -1.454157586e-01 -1.454157586e-01 5.22 -1.402635624e-01 -1.402635624e-01 5.24 -1.353162570e-01 -1.353162570e-01 5.26 -1.305572404e-01 -1.305572404e-01 5.28 -1.259711240e-01 -1.259711240e-01 5.30 -1.215440169e-01 -1.215440169e-01 5.32 -1.172637274e-01 -1.172637274e-01 5.34 -1.131198864e-01 -1.131198864e-01 5.36 -1.091040037e-01 -1.091040037e-01 5.38 -1.052094572e-01 -1.052094572e-01 5.40 -1.014314185e-01 -1.014314185e-01 5.42 -9.776671386e-02 -9.776671386e-02 5.44 -9.421362340e-02 -9.421362340e-02 5.46 -9.077162231e-02 -9.077162231e-02 5.48 -8.744107535e-02 -8.744107535e-02 5.50 -8.422289973e-02 -8.422289973e-02 5.52 -8.111821878e-02 -8.111821878e-02 5.54 -7.812802918e-02 -7.812802918e-02 5.56 -7.525290586e-02 -7.525290586e-02 5.58 -7.249276502e-02 -7.249276502e-02 5.60 -6.984662160e-02 -6.984662160e-02 5.62 -6.731257028e-02 -6.731257028e-02 5.64 -6.488796878e-02 -6.488796878e-02 5.66 -6.256927288e-02 -6.256927288e-02 5.68 -6.035214169e-02 -6.035214169e-02 5.70 -5.823158136e-02 -5.823158136e-02 5.72 -5.620210413e-02 -5.620210413e-02 5.74 -5.425788743e-02 -5.425788743e-02 5.76 -5.239292185e-02 -5.239292185e-02 5.78 -5.060114028e-02 -5.060114028e-02 5.80 -4.887652446e-02 -4.887652446e-02 5.82 -4.721318822e-02 -4.721318822e-02 5.84 -4.560543874e-02 -4.560543874e-02 5.86 -4.404781891e-02 -4.404781891e-02 5.88 -4.253513451e-02 -4.253513451e-02 5.90 -4.106247017e-02 -4.106247017e-02 5.92 -3.962519813e-02 -3.962519813e-02 5.94 -3.821898332e-02 -3.821898332e-02 5.96 -3.683978804e-02 -3.683978804e-02 5.98 -3.548387873e-02 -3.548387873e-02 6.00 -3.414783701e-02 -3.414783701e-02