# 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 = PbPdPt2 # 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 4.173329271e+02 4.173329271e+02 1.30 3.900452961e+02 3.900452961e+02 1.32 3.645472908e+02 3.645472908e+02 1.34 3.407028974e+02 3.407028974e+02 1.36 3.183863483e+02 3.183863483e+02 1.38 2.974854079e+02 2.974854079e+02 1.40 2.779045150e+02 2.779045150e+02 1.42 2.595641087e+02 2.595641087e+02 1.44 2.423931518e+02 2.423931518e+02 1.46 2.263200039e+02 2.263200039e+02 1.48 2.112694287e+02 2.112694287e+02 1.50 1.971656254e+02 1.971656254e+02 1.52 1.839355960e+02 1.839355960e+02 1.54 1.715103071e+02 1.715103071e+02 1.56 1.598253440e+02 1.598253440e+02 1.58 1.488222495e+02 1.488222495e+02 1.60 1.384497332e+02 1.384497332e+02 1.62 1.286634874e+02 1.286634874e+02 1.64 1.194246243e+02 1.194246243e+02 1.66 1.106978906e+02 1.106978906e+02 1.68 1.024509586e+02 1.024509586e+02 1.70 9.465482678e+01 9.465482678e+01 1.72 8.728416086e+01 8.728416086e+01 1.74 8.031633711e+01 8.031633711e+01 1.76 7.374039688e+01 7.374039688e+01 1.78 6.763973072e+01 6.763973072e+01 1.80 6.200415568e+01 6.200415568e+01 1.82 5.679419437e+01 5.679419437e+01 1.84 5.197492258e+01 5.197492258e+01 1.86 4.751665388e+01 4.751665388e+01 1.88 4.339446596e+01 4.339446596e+01 1.90 3.958677008e+01 3.958677008e+01 1.92 3.607355716e+01 3.607355716e+01 1.94 3.283504458e+01 3.283504458e+01 1.96 2.985120544e+01 2.985120544e+01 1.98 2.710204369e+01 2.710204369e+01 2.00 2.456821430e+01 2.456821430e+01 2.02 2.223159912e+01 2.223159912e+01 2.04 2.007564362e+01 2.007564362e+01 2.06 1.808544039e+01 1.808544039e+01 2.08 1.624763244e+01 1.624763244e+01 2.10 1.455022528e+01 1.455022528e+01 2.12 1.298237302e+01 1.298237302e+01 2.14 1.153419424e+01 1.153419424e+01 2.16 1.019663751e+01 1.019663751e+01 2.18 8.961404748e+00 8.961404748e+00 2.20 7.820910279e+00 7.820910279e+00 2.22 6.768254400e+00 6.768254400e+00 2.24 5.797188630e+00 5.797188630e+00 2.26 4.902067438e+00 4.902067438e+00 2.28 4.077787194e+00 4.077787194e+00 2.30 3.319717555e+00 3.319717555e+00 2.32 2.623628354e+00 2.623628354e+00 2.34 1.985615758e+00 1.985615758e+00 2.36 1.402031324e+00 1.402031324e+00 2.38 8.694163640e-01 8.694163640e-01 2.40 3.844462541e-01 3.844462541e-01 2.42 -5.610993693e-02 -5.610993693e-02 2.44 -4.554110358e-01 -4.554110358e-01 2.46 -8.165437633e-01 -8.165437633e-01 2.48 -1.142506824e+00 -1.142506824e+00 2.50 -1.436187266e+00 -1.436187266e+00 2.52 -1.700344297e+00 -1.700344297e+00 2.54 -1.939339837e+00 -1.939339837e+00 2.56 -2.156369977e+00 -2.156369977e+00 2.58 -2.352921350e+00 -2.352921350e+00 2.60 -2.530408879e+00 -2.530408879e+00 2.62 -2.690138080e+00 -2.690138080e+00 2.64 -2.833284617e+00 -2.833284617e+00 2.66 -2.960886892e+00 -2.960886892e+00 2.68 -3.073859380e+00 -3.073859380e+00 2.70 -3.173011317e+00 -3.173011317e+00 2.72 -3.259067612e+00 -3.259067612e+00 2.74 -3.332687112e+00 -3.332687112e+00 2.76 -3.394476906e+00 -3.394476906e+00 2.78 -3.445003410e+00 -3.445003410e+00 2.80 -3.484802620e+00 -3.484802620e+00 2.82 -3.514458361e+00 -3.514458361e+00 2.84 -3.534692212e+00 -3.534692212e+00 2.86 -3.545938260e+00 -3.545938260e+00 2.88 -3.548649244e+00 -3.548649244e+00 2.90 -3.543344306e+00 -3.543344306e+00 2.92 -3.530622997e+00 -3.530622997e+00 2.94 -3.511170908e+00 -3.511170908e+00 2.96 -3.485751705e+00 -3.485751705e+00 2.98 -3.455182854e+00 -3.455182854e+00 3.00 -3.420296884e+00 -3.420296884e+00 3.02 -3.381901960e+00 -3.381901960e+00 3.04 -3.340748838e+00 -3.340748838e+00 3.06 -3.297476917e+00 -3.297476917e+00 3.08 -3.252591159e+00 -3.252591159e+00 3.10 -3.206467697e+00 -3.206467697e+00 3.12 -3.159369244e+00 -3.159369244e+00 3.14 -3.111472986e+00 -3.111472986e+00 3.16 -3.062890770e+00 -3.062890770e+00 3.18 -3.013695359e+00 -3.013695359e+00 3.20 -2.963936211e+00 -2.963936211e+00 3.22 -2.913650590e+00 -2.913650590e+00 3.24 -2.862870082e+00 -2.862870082e+00 3.26 -2.811624170e+00 -2.811624170e+00 3.28 -2.759942416e+00 -2.759942416e+00 3.30 -2.707856239e+00 -2.707856239e+00 3.32 -2.655400705e+00 -2.655400705e+00 3.34 -2.602616238e+00 -2.602616238e+00 3.36 -2.549549933e+00 -2.549549933e+00 3.38 -2.496256213e+00 -2.496256213e+00 3.40 -2.442824900e+00 -2.442824900e+00 3.42 -2.389441206e+00 -2.389441206e+00 3.44 -2.336252097e+00 -2.336252097e+00 3.46 -2.283383362e+00 -2.283383362e+00 3.48 -2.230948414e+00 -2.230948414e+00 3.50 -2.179048136e+00 -2.179048136e+00 3.52 -2.127770635e+00 -2.127770635e+00 3.54 -2.077191069e+00 -2.077191069e+00 3.56 -2.027371655e+00 -2.027371655e+00 3.58 -1.978361892e+00 -1.978361892e+00 3.60 -1.930198869e+00 -1.930198869e+00 3.62 -1.882905387e+00 -1.882905387e+00 3.64 -1.836489451e+00 -1.836489451e+00 3.66 -1.790950153e+00 -1.790950153e+00 3.68 -1.746278952e+00 -1.746278952e+00 3.70 -1.702460726e+00 -1.702460726e+00 3.72 -1.659474858e+00 -1.659474858e+00 3.74 -1.617296319e+00 -1.617296319e+00 3.76 -1.575896708e+00 -1.575896708e+00 3.78 -1.535245262e+00 -1.535245262e+00 3.80 -1.495309803e+00 -1.495309803e+00 3.82 -1.456057659e+00 -1.456057659e+00 3.84 -1.417456540e+00 -1.417456540e+00 3.86 -1.379475374e+00 -1.379475374e+00 3.88 -1.342085094e+00 -1.342085094e+00 3.90 -1.305259374e+00 -1.305259374e+00 3.92 -1.268975008e+00 -1.268975008e+00 3.94 -1.233213902e+00 -1.233213902e+00 3.96 -1.197961706e+00 -1.197961706e+00 3.98 -1.163210022e+00 -1.163210022e+00 4.00 -1.128956837e+00 -1.128956837e+00 4.02 -1.095207370e+00 -1.095207370e+00 4.04 -1.061974866e+00 -1.061974866e+00 4.06 -1.029281197e+00 -1.029281197e+00 4.08 -9.971570728e-01 -9.971570728e-01 4.10 -9.656409956e-01 -9.656409956e-01 4.12 -9.347809348e-01 -9.347809348e-01 4.14 -9.046278514e-01 -9.046278514e-01 4.16 -8.752359870e-01 -8.752359870e-01 4.18 -8.466584743e-01 -8.466584743e-01 4.20 -8.189434233e-01 -8.189434233e-01 4.22 -7.921300604e-01 -7.921300604e-01 4.24 -7.662453749e-01 -7.662453749e-01 4.26 -7.413016699e-01 -7.413016699e-01 4.28 -7.172952795e-01 -7.172952795e-01 4.30 -6.942065317e-01 -6.942065317e-01 4.32 -6.720008524e-01 -6.720008524e-01 4.34 -6.506307579e-01 -6.506307579e-01 4.36 -6.300384037e-01 -6.300384037e-01 4.38 -6.101583474e-01 -6.101583474e-01 4.40 -5.909202327e-01 -5.909202327e-01 4.42 -5.722511844e-01 -5.722511844e-01 4.44 -5.540777978e-01 -5.540777978e-01 4.46 -5.363276932e-01 -5.363276932e-01 4.48 -5.189306710e-01 -5.189306710e-01 4.50 -5.018195455e-01 -5.018195455e-01 4.52 -4.849307595e-01 -4.849307595e-01 4.54 -4.682048856e-01 -4.682048856e-01 4.56 -4.515871147e-01 -4.515871147e-01 4.58 -4.350278144e-01 -4.350278144e-01 4.60 -4.184832228e-01 -4.184832228e-01 4.62 -4.019163147e-01 -4.019163147e-01 4.64 -3.852978497e-01 -3.852978497e-01 4.66 -3.686075778e-01 -3.686075778e-01 4.68 -3.518355420e-01 -3.518355420e-01 4.70 -3.349833804e-01 -3.349833804e-01 4.72 -3.180654944e-01 -3.180654944e-01 4.74 -3.011099178e-01 -3.011099178e-01 4.76 -2.841587113e-01 -2.841587113e-01 4.78 -2.672677059e-01 -2.672677059e-01 4.80 -2.505047424e-01 -2.505047424e-01 4.82 -2.339507116e-01 -2.339507116e-01 4.84 -2.176921536e-01 -2.176921536e-01 4.86 -2.018209462e-01 -2.018209462e-01 4.88 -1.864294154e-01 -1.864294154e-01 4.90 -1.716060793e-01 -1.716060793e-01 4.92 -1.574315428e-01 -1.574315428e-01 4.94 -1.439749043e-01 -1.439749043e-01 4.96 -1.312909747e-01 -1.312909747e-01 4.98 -1.194185112e-01 -1.194185112e-01 5.00 -1.083795448e-01 -1.083795448e-01 5.02 -9.817975446e-02 -9.817975446e-02 5.04 -8.880973512e-02 -8.880973512e-02 5.06 -8.024694167e-02 -8.024694167e-02 5.08 -7.245805619e-02 -7.245805619e-02 5.10 -6.540153643e-02 -6.540153643e-02 5.12 -5.903013468e-02 -5.903013468e-02 5.14 -5.329321817e-02 -5.329321817e-02 5.16 -4.813880572e-02 -4.813880572e-02 5.18 -4.351524496e-02 -4.351524496e-02 5.20 -3.937250812e-02 -3.937250812e-02 5.22 -3.566312934e-02 -3.566312934e-02 5.24 -3.234283296e-02 -3.234283296e-02 5.26 -2.937070741e-02 -2.937070741e-02 5.28 -2.670912286e-02 -2.670912286e-02 5.30 -2.432515196e-02 -2.432515196e-02 5.32 -2.218916520e-02 -2.218916520e-02 5.34 -2.027455446e-02 -2.027455446e-02 5.36 -1.855753453e-02 -1.855753453e-02 5.38 -1.701686880e-02 -1.701686880e-02 5.40 -1.563357638e-02 -1.563357638e-02 5.42 -1.439084032e-02 -1.439084032e-02 5.44 -1.327362920e-02 -1.327362920e-02 5.46 -1.226847295e-02 -1.226847295e-02 5.48 -1.136328164e-02 -1.136328164e-02 5.50 -1.054719044e-02 -1.054719044e-02 5.52 -9.810428195e-03 -9.810428195e-03 5.54 -9.144205939e-03 -9.144205939e-03 5.56 -8.540621641e-03 -8.540621641e-03 5.58 -7.992577575e-03 -7.992577575e-03 5.60 -7.493707218e-03 -7.493707218e-03 5.62 -7.038309139e-03 -7.038309139e-03 5.64 -6.621289534e-03 -6.621289534e-03 5.66 -6.238106415e-03 -6.238106415e-03 5.68 -5.884718799e-03 -5.884718799e-03 5.70 -5.557539973e-03 -5.557539973e-03 5.72 -5.253394444e-03 -5.253394444e-03 5.74 -4.969478496e-03 -4.969478496e-03 5.76 -4.703324329e-03 -4.703324329e-03 5.78 -4.452767709e-03 -4.452767709e-03 5.80 -4.215919023e-03 -4.215919023e-03 5.82 -3.991137569e-03 -3.991137569e-03 5.84 -3.777008848e-03 -3.777008848e-03 5.86 -3.572324547e-03 -3.572324547e-03 5.88 -3.376064849e-03 -3.376064849e-03 5.90 -3.187382658e-03 -3.187382658e-03 5.92 -3.005589267e-03 -3.005589267e-03 5.94 -2.830185340e-03 -2.830185340e-03 5.96 -2.661019849e-03 -2.661019849e-03 5.98 -2.497781027e-03 -2.497781027e-03 6.00 -2.340211308e-03 -2.340211308e-03