# 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 = PbPdW2 # 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 5.040364929e+02 5.040364929e+02 1.30 4.688791450e+02 4.688791450e+02 1.32 4.362540332e+02 4.362540332e+02 1.34 4.059529116e+02 4.059529116e+02 1.36 3.777936164e+02 3.777936164e+02 1.38 3.516161428e+02 3.516161428e+02 1.40 3.272778349e+02 3.272778349e+02 1.42 3.046479986e+02 3.046479986e+02 1.44 2.836036673e+02 2.836036673e+02 1.46 2.640277502e+02 2.640277502e+02 1.48 2.458091597e+02 2.458091597e+02 1.50 2.288437850e+02 2.288437850e+02 1.52 2.130354255e+02 2.130354255e+02 1.54 1.982962369e+02 1.982962369e+02 1.56 1.845464415e+02 1.845464415e+02 1.58 1.717134431e+02 1.717134431e+02 1.60 1.597306694e+02 1.597306694e+02 1.62 1.485365625e+02 1.485365625e+02 1.64 1.380738699e+02 1.380738699e+02 1.66 1.282892538e+02 1.282892538e+02 1.68 1.191331285e+02 1.191331285e+02 1.70 1.105597024e+02 1.105597024e+02 1.72 1.025272312e+02 1.025272312e+02 1.74 9.499842367e+01 9.499842367e+01 1.76 8.794082864e+01 8.794082864e+01 1.78 8.132690581e+01 8.132690581e+01 1.80 7.513350733e+01 7.513350733e+01 1.82 6.934074037e+01 6.934074037e+01 1.84 6.393078938e+01 6.393078938e+01 1.86 5.888675844e+01 5.888675844e+01 1.88 5.418988126e+01 5.418988126e+01 1.90 4.982030750e+01 4.982030750e+01 1.92 4.577219260e+01 4.577219260e+01 1.94 4.203065952e+01 4.203065952e+01 1.96 3.857110625e+01 3.857110625e+01 1.98 3.537049597e+01 3.537049597e+01 2.00 3.240759042e+01 3.240759042e+01 2.02 2.966294583e+01 2.966294583e+01 2.04 2.711876892e+01 2.711876892e+01 2.06 2.475872331e+01 2.475872331e+01 2.08 2.256775101e+01 2.256775101e+01 2.10 2.053194107e+01 2.053194107e+01 2.12 1.863847180e+01 1.863847180e+01 2.14 1.687560676e+01 1.687560676e+01 2.16 1.523272475e+01 1.523272475e+01 2.18 1.370034314e+01 1.370034314e+01 2.20 1.227009719e+01 1.227009719e+01 2.22 1.093466757e+01 1.093466757e+01 2.24 9.687657851e+00 9.687657851e+00 2.26 8.523444831e+00 8.523444831e+00 2.28 7.437025167e+00 7.437025167e+00 2.30 6.423875396e+00 6.423875396e+00 2.32 5.479832654e+00 5.479832654e+00 2.34 4.601010539e+00 4.601010539e+00 2.36 3.783728919e+00 3.783728919e+00 2.38 3.024469496e+00 3.024469496e+00 2.40 2.319846577e+00 2.319846577e+00 2.42 1.666592513e+00 1.666592513e+00 2.44 1.061554529e+00 1.061554529e+00 2.46 5.017303562e-01 5.017303562e-01 2.48 -1.561128195e-02 -1.561128195e-02 2.50 -4.933185856e-01 -4.933185856e-01 2.52 -9.340794128e-01 -9.340794128e-01 2.54 -1.340340684e+00 -1.340340684e+00 2.56 -1.714303023e+00 -1.714303023e+00 2.58 -2.057930443e+00 -2.057930443e+00 2.60 -2.372974794e+00 -2.372974794e+00 2.62 -2.660990247e+00 -2.660990247e+00 2.64 -2.923039612e+00 -2.923039612e+00 2.66 -3.159845516e+00 -3.159845516e+00 2.68 -3.372167914e+00 -3.372167914e+00 2.70 -3.560814103e+00 -3.560814103e+00 2.72 -3.726634496e+00 -3.726634496e+00 2.74 -3.870516252e+00 -3.870516252e+00 2.76 -3.993375642e+00 -3.993375642e+00 2.78 -4.096150638e+00 -4.096150638e+00 2.80 -4.179795444e+00 -4.179795444e+00 2.82 -4.245278606e+00 -4.245278606e+00 2.84 -4.293585604e+00 -4.293585604e+00 2.86 -4.325725983e+00 -4.325725983e+00 2.88 -4.342743752e+00 -4.342743752e+00 2.90 -4.345728639e+00 -4.345728639e+00 2.92 -4.335824973e+00 -4.335824973e+00 2.94 -4.314234772e+00 -4.314234772e+00 2.96 -4.282438526e+00 -4.282438526e+00 2.98 -4.241856298e+00 -4.241856298e+00 3.00 -4.193614212e+00 -4.193614212e+00 3.02 -4.138847636e+00 -4.138847636e+00 3.04 -4.078659435e+00 -4.078659435e+00 3.06 -4.014080665e+00 -4.014080665e+00 3.08 -3.946031221e+00 -3.946031221e+00 3.10 -3.875295356e+00 -3.875295356e+00 3.12 -3.802529064e+00 -3.802529064e+00 3.14 -3.728278926e+00 -3.728278926e+00 3.16 -3.652935901e+00 -3.652935901e+00 3.18 -3.576751425e+00 -3.576751425e+00 3.20 -3.499857430e+00 -3.499857430e+00 3.22 -3.422289561e+00 -3.422289561e+00 3.24 -3.344010678e+00 -3.344010678e+00 3.26 -3.264933870e+00 -3.264933870e+00 3.28 -3.184944802e+00 -3.184944802e+00 3.30 -3.103923286e+00 -3.103923286e+00 3.32 -3.021763826e+00 -3.021763826e+00 3.34 -2.938400955e+00 -2.938400955e+00 3.36 -2.853887154e+00 -2.853887154e+00 3.38 -2.768141631e+00 -2.768141631e+00 3.40 -2.681122470e+00 -2.681122470e+00 3.42 -2.592906179e+00 -2.592906179e+00 3.44 -2.503669370e+00 -2.503669370e+00 3.46 -2.413624221e+00 -2.413624221e+00 3.48 -2.323083669e+00 -2.323083669e+00 3.50 -2.232468159e+00 -2.232468159e+00 3.52 -2.142276539e+00 -2.142276539e+00 3.54 -2.053051808e+00 -2.053051808e+00 3.56 -1.965345180e+00 -1.965345180e+00 3.58 -1.879682193e+00 -1.879682193e+00 3.60 -1.796534119e+00 -1.796534119e+00 3.62 -1.716296929e+00 -1.716296929e+00 3.64 -1.639278798e+00 -1.639278798e+00 3.66 -1.565695899e+00 -1.565695899e+00 3.68 -1.495675244e+00 -1.495675244e+00 3.70 -1.429262768e+00 -1.429262768e+00 3.72 -1.366434659e+00 -1.366434659e+00 3.74 -1.307110125e+00 -1.307110125e+00 3.76 -1.251164172e+00 -1.251164172e+00 3.78 -1.198439418e+00 -1.198439418e+00 3.80 -1.148756461e+00 -1.148756461e+00 3.82 -1.101922626e+00 -1.101922626e+00 3.84 -1.057739152e+00 -1.057739152e+00 3.86 -1.016007005e+00 -1.016007005e+00 3.88 -9.765314952e-01 -9.765314952e-01 3.90 -9.391258904e-01 -9.391258904e-01 3.92 -9.036138156e-01 -9.036138156e-01 3.94 -8.698327532e-01 -8.698327532e-01 3.96 -8.376331169e-01 -8.376331169e-01 3.98 -8.068807647e-01 -8.068807647e-01 4.00 -7.774569789e-01 -7.774569789e-01 4.02 -7.492584751e-01 -7.492584751e-01 4.04 -7.221970215e-01 -7.221970215e-01 4.06 -6.961986726e-01 -6.961986726e-01 4.08 -6.712026065e-01 -6.712026065e-01 4.10 -6.471581263e-01 -6.471581263e-01 4.12 -6.240287866e-01 -6.240287866e-01 4.14 -6.017807021e-01 -6.017807021e-01 4.16 -5.803868954e-01 -5.803868954e-01 4.18 -5.598232356e-01 -5.598232356e-01 4.20 -5.400663681e-01 -5.400663681e-01 4.22 -5.210920286e-01 -5.210920286e-01 4.24 -5.028738583e-01 -5.028738583e-01 4.26 -4.853827704e-01 -4.853827704e-01 4.28 -4.685868167e-01 -4.685868167e-01 4.30 -4.524514593e-01 -4.524514593e-01 4.32 -4.369401395e-01 -4.369401395e-01 4.34 -4.220149612e-01 -4.220149612e-01 4.36 -4.076367597e-01 -4.076367597e-01 4.38 -3.937677574e-01 -3.937677574e-01 4.40 -3.803711276e-01 -3.803711276e-01 4.42 -3.674110741e-01 -3.674110741e-01 4.44 -3.548533765e-01 -3.548533765e-01 4.46 -3.426657856e-01 -3.426657856e-01 4.48 -3.308183154e-01 -3.308183154e-01 4.50 -3.192834730e-01 -3.192834730e-01 4.52 -3.080364627e-01 -3.080364627e-01 4.54 -2.970553867e-01 -2.970553867e-01 4.56 -2.863214583e-01 -2.863214583e-01 4.58 -2.758192270e-01 -2.758192270e-01 4.60 -2.655368062e-01 -2.655368062e-01 4.62 -2.554660803e-01 -2.554660803e-01 4.64 -2.456028583e-01 -2.456028583e-01 4.66 -2.359469345e-01 -2.359469345e-01 4.68 -2.265020135e-01 -2.265020135e-01 4.70 -2.172754604e-01 -2.172754604e-01 4.72 -2.082778512e-01 -2.082778512e-01 4.74 -1.995223130e-01 -1.995223130e-01 4.76 -1.910236745e-01 -1.910236745e-01 4.78 -1.827974688e-01 -1.827974688e-01 4.80 -1.748580650e-01 -1.748580650e-01 4.82 -1.672209153e-01 -1.672209153e-01 4.84 -1.598964150e-01 -1.598964150e-01 4.86 -1.528927364e-01 -1.528927364e-01 4.88 -1.462143479e-01 -1.462143479e-01 4.90 -1.398617581e-01 -1.398617581e-01 4.92 -1.338315366e-01 -1.338315366e-01 4.94 -1.281165793e-01 -1.281165793e-01 4.96 -1.227065663e-01 -1.227065663e-01 4.98 -1.175885517e-01 -1.175885517e-01 5.00 -1.127476185e-01 -1.127476185e-01 5.02 -1.081675415e-01 -1.081675415e-01 5.04 -1.038314137e-01 -1.038314137e-01 5.06 -9.972220201e-02 -9.972220201e-02 5.08 -9.582321591e-02 -9.582321591e-02 5.10 -9.211847884e-02 -9.211847884e-02 5.12 -8.859300488e-02 -8.859300488e-02 5.14 -8.523298730e-02 -8.523298730e-02 5.16 -8.202590811e-02 -8.202590811e-02 5.18 -7.896057950e-02 -7.896057950e-02 5.20 -7.602712780e-02 -7.602712780e-02 5.22 -7.321693030e-02 -7.321693030e-02 5.24 -7.052251466e-02 -7.052251466e-02 5.26 -6.793742279e-02 -6.793742279e-02 5.28 -6.545603429e-02 -6.545603429e-02 5.30 -6.307349830e-02 -6.307349830e-02 5.32 -6.078552864e-02 -6.078552864e-02 5.34 -5.858824011e-02 -5.858824011e-02 5.36 -5.647801044e-02 -5.647801044e-02 5.38 -5.445136250e-02 -5.445136250e-02 5.40 -5.250487083e-02 -5.250487083e-02 5.42 -5.063509390e-02 -5.063509390e-02 5.44 -4.883853189e-02 -4.883853189e-02 5.46 -4.711160749e-02 -4.711160749e-02 5.48 -4.545066597e-02 -4.545066597e-02 5.50 -4.385199010e-02 -4.385199010e-02 5.52 -4.231182506e-02 -4.231182506e-02 5.54 -4.082640913e-02 -4.082640913e-02 5.56 -3.939200634e-02 -3.939200634e-02 5.58 -3.800493840e-02 -3.800493840e-02 5.60 -3.666161393e-02 -3.666161393e-02 5.62 -3.535855418e-02 -3.535855418e-02 5.64 -3.409241463e-02 -3.409241463e-02 5.66 -3.286000327e-02 -3.286000327e-02 5.68 -3.165829590e-02 -3.165829590e-02 5.70 -3.048444948e-02 -3.048444948e-02 5.72 -2.933581435e-02 -2.933581435e-02 5.74 -2.820994641e-02 -2.820994641e-02 5.76 -2.710461986e-02 -2.710461986e-02 5.78 -2.601784120e-02 -2.601784120e-02 5.80 -2.494786473e-02 -2.494786473e-02 5.82 -2.389320945e-02 -2.389320945e-02 5.84 -2.285267727e-02 -2.285267727e-02 5.86 -2.182537145e-02 -2.182537145e-02 5.88 -2.081071459e-02 -2.081071459e-02 5.90 -1.980846442e-02 -1.980846442e-02 5.92 -1.881872590e-02 -1.881872590e-02 5.94 -1.784194404e-02 -1.784194404e-02 5.96 -1.687885019e-02 -1.687885019e-02 5.98 -1.593060274e-02 -1.593060274e-02 6.00 -1.499869558e-02 -1.499869558e-02