# 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 = AuPdTi2 # 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 3.287231726e+02 3.287231726e+02 1.30 3.051610081e+02 3.051610081e+02 1.32 2.833228676e+02 2.833228676e+02 1.34 2.630738284e+02 2.630738284e+02 1.36 2.442886342e+02 2.442886342e+02 1.38 2.268511097e+02 2.268511097e+02 1.40 2.106550974e+02 2.106550974e+02 1.42 1.956045473e+02 1.956045473e+02 1.44 1.816123344e+02 1.816123344e+02 1.46 1.685987318e+02 1.685987318e+02 1.48 1.564903619e+02 1.564903619e+02 1.50 1.452197583e+02 1.452197583e+02 1.52 1.347251064e+02 1.347251064e+02 1.54 1.249497658e+02 1.249497658e+02 1.56 1.158414877e+02 1.158414877e+02 1.58 1.073515292e+02 1.073515292e+02 1.60 9.943411658e+01 9.943411658e+01 1.62 9.204649751e+01 9.204649751e+01 1.64 8.514930925e+01 8.514930925e+01 1.66 7.870680868e+01 7.870680868e+01 1.68 7.268680999e+01 7.268680999e+01 1.70 6.706039414e+01 6.706039414e+01 1.72 6.180139426e+01 6.180139426e+01 1.74 5.688568132e+01 5.688568132e+01 1.76 5.229050927e+01 5.229050927e+01 1.78 4.799421375e+01 4.799421375e+01 1.80 4.397664817e+01 4.397664817e+01 1.82 4.022898814e+01 4.022898814e+01 1.84 3.674846603e+01 3.674846603e+01 1.86 3.351890977e+01 3.351890977e+01 1.88 3.052266749e+01 3.052266749e+01 1.90 2.774351021e+01 2.774351021e+01 1.92 2.516647373e+01 2.516647373e+01 1.94 2.277771839e+01 2.277771839e+01 1.96 2.056436775e+01 2.056436775e+01 1.98 1.851433221e+01 1.851433221e+01 2.00 1.661618008e+01 1.661618008e+01 2.02 1.485909341e+01 1.485909341e+01 2.04 1.323288562e+01 1.323288562e+01 2.06 1.172803590e+01 1.172803590e+01 2.08 1.033571577e+01 1.033571577e+01 2.10 9.047799156e+00 9.047799156e+00 2.12 7.856845595e+00 7.856845595e+00 2.14 6.756051697e+00 6.756051697e+00 2.16 5.739178018e+00 5.739178018e+00 2.18 4.800468110e+00 4.800468110e+00 2.20 3.934575200e+00 3.934575200e+00 2.22 3.136504928e+00 3.136504928e+00 2.24 2.401579585e+00 2.401579585e+00 2.26 1.725424111e+00 1.725424111e+00 2.28 1.103966567e+00 1.103966567e+00 2.30 5.334395116e-01 5.334395116e-01 2.32 1.036713341e-02 1.036713341e-02 2.34 -4.684642074e-01 -4.684642074e-01 2.36 -9.060435642e-01 -9.060435642e-01 2.38 -1.305170397e+00 -1.305170397e+00 2.40 -1.668482097e+00 -1.668482097e+00 2.42 -1.998475380e+00 -1.998475380e+00 2.44 -2.297523297e+00 -2.297523297e+00 2.46 -2.567888225e+00 -2.567888225e+00 2.48 -2.811728356e+00 -2.811728356e+00 2.50 -3.031095933e+00 -3.031095933e+00 2.52 -3.227927553e+00 -3.227927553e+00 2.54 -3.404030205e+00 -3.404030205e+00 2.56 -3.561068990e+00 -3.561068990e+00 2.58 -3.700561766e+00 -3.700561766e+00 2.60 -3.823882489e+00 -3.823882489e+00 2.62 -3.932271172e+00 -3.932271172e+00 2.64 -4.026846949e+00 -4.026846949e+00 2.66 -4.108690778e+00 -4.108690778e+00 2.68 -4.178742173e+00 -4.178742173e+00 2.70 -4.237718212e+00 -4.237718212e+00 2.72 -4.286295899e+00 -4.286295899e+00 2.74 -4.325117979e+00 -4.325117979e+00 2.76 -4.354797127e+00 -4.354797127e+00 2.78 -4.375919752e+00 -4.375919752e+00 2.80 -4.389049788e+00 -4.389049788e+00 2.82 -4.394724428e+00 -4.394724428e+00 2.84 -4.393571233e+00 -4.393571233e+00 2.86 -4.385902261e+00 -4.385902261e+00 2.88 -4.371894052e+00 -4.371894052e+00 2.90 -4.351747751e+00 -4.351747751e+00 2.92 -4.325730308e+00 -4.325730308e+00 2.94 -4.294162247e+00 -4.294162247e+00 2.96 -4.257406179e+00 -4.257406179e+00 2.98 -4.215857327e+00 -4.215857327e+00 3.00 -4.169955290e+00 -4.169955290e+00 3.02 -4.120184114e+00 -4.120184114e+00 3.04 -4.067020250e+00 -4.067020250e+00 3.06 -4.010924957e+00 -4.010924957e+00 3.08 -3.952333471e+00 -3.952333471e+00 3.10 -3.891642747e+00 -3.891642747e+00 3.12 -3.829201963e+00 -3.829201963e+00 3.14 -3.765309015e+00 -3.765309015e+00 3.16 -3.700212199e+00 -3.700212199e+00 3.18 -3.634117086e+00 -3.634117086e+00 3.20 -3.567195157e+00 -3.567195157e+00 3.22 -3.499592574e+00 -3.499592574e+00 3.24 -3.431437666e+00 -3.431437666e+00 3.26 -3.362846561e+00 -3.362846561e+00 3.28 -3.293927028e+00 -3.293927028e+00 3.30 -3.224780846e+00 -3.224780846e+00 3.32 -3.155505175e+00 -3.155505175e+00 3.34 -3.086193313e+00 -3.086193313e+00 3.36 -3.016935218e+00 -3.016935218e+00 3.38 -2.947818052e+00 -2.947818052e+00 3.40 -2.878926945e+00 -2.878926945e+00 3.42 -2.810346237e+00 -2.810346237e+00 3.44 -2.742160841e+00 -2.742160841e+00 3.46 -2.674458122e+00 -2.674458122e+00 3.48 -2.607329565e+00 -2.607329565e+00 3.50 -2.540871898e+00 -2.540871898e+00 3.52 -2.475187059e+00 -2.475187059e+00 3.54 -2.410380491e+00 -2.410380491e+00 3.56 -2.346557541e+00 -2.346557541e+00 3.58 -2.283818286e+00 -2.283818286e+00 3.60 -2.222251589e+00 -2.222251589e+00 3.62 -2.161929596e+00 -2.161929596e+00 3.64 -2.102903790e+00 -2.102903790e+00 3.66 -2.045203365e+00 -2.045203365e+00 3.68 -1.988836007e+00 -1.988836007e+00 3.70 -1.933790664e+00 -1.933790664e+00 3.72 -1.880041517e+00 -1.880041517e+00 3.74 -1.827552350e+00 -1.827552350e+00 3.76 -1.776280685e+00 -1.776280685e+00 3.78 -1.726181296e+00 -1.726181296e+00 3.80 -1.677208942e+00 -1.677208942e+00 3.82 -1.629320324e+00 -1.629320324e+00 3.84 -1.582475374e+00 -1.582475374e+00 3.86 -1.536637993e+00 -1.536637993e+00 3.88 -1.491776380e+00 -1.491776380e+00 3.90 -1.447863075e+00 -1.447863075e+00 3.92 -1.404874767e+00 -1.404874767e+00 3.94 -1.362792258e+00 -1.362792258e+00 3.96 -1.321599882e+00 -1.321599882e+00 3.98 -1.281285473e+00 -1.281285473e+00 4.00 -1.241840088e+00 -1.241840088e+00 4.02 -1.203257815e+00 -1.203257815e+00 4.04 -1.165535581e+00 -1.165535581e+00 4.06 -1.128672904e+00 -1.128672904e+00 4.08 -1.092671554e+00 -1.092671554e+00 4.10 -1.057534946e+00 -1.057534946e+00 4.12 -1.023267991e+00 -1.023267991e+00 4.14 -9.898755312e-01 -9.898755312e-01 4.16 -9.573620196e-01 -9.573620196e-01 4.18 -9.257305011e-01 -9.257305011e-01 4.20 -8.949818338e-01 -8.949818338e-01 4.22 -8.651140819e-01 -8.651140819e-01 4.24 -8.361221295e-01 -8.361221295e-01 4.26 -8.079975184e-01 -8.079975184e-01 4.28 -7.807284745e-01 -7.807284745e-01 4.30 -7.543000634e-01 -7.543000634e-01 4.32 -7.286944091e-01 -7.286944091e-01 4.34 -7.038909257e-01 -7.038909257e-01 4.36 -6.798665350e-01 -6.798665350e-01 4.38 -6.565958719e-01 -6.565958719e-01 4.40 -6.340514973e-01 -6.340514973e-01 4.42 -6.122041445e-01 -6.122041445e-01 4.44 -5.910230252e-01 -5.910230252e-01 4.46 -5.704762064e-01 -5.704762064e-01 4.48 -5.505310581e-01 -5.505310581e-01 4.50 -5.311547589e-01 -5.311547589e-01 4.52 -5.123148410e-01 -5.123148410e-01 4.54 -4.939797535e-01 -4.939797535e-01 4.56 -4.761194211e-01 -4.761194211e-01 4.58 -4.587057823e-01 -4.587057823e-01 4.60 -4.417132866e-01 -4.417132866e-01 4.62 -4.251193342e-01 -4.251193342e-01 4.64 -4.089046370e-01 -4.089046370e-01 4.66 -3.930534804e-01 -3.930534804e-01 4.68 -3.775538626e-01 -3.775538626e-01 4.70 -3.623974926e-01 -3.623974926e-01 4.72 -3.475796366e-01 -3.475796366e-01 4.74 -3.330988158e-01 -3.330988158e-01 4.76 -3.189563743e-01 -3.189563743e-01 4.78 -3.051559563e-01 -3.051559563e-01 4.80 -2.917028629e-01 -2.917028629e-01 4.82 -2.786038576e-01 -2.786038576e-01 4.84 -2.658661693e-01 -2.658661693e-01 4.86 -2.534975304e-01 -2.534975304e-01 4.88 -2.415058772e-01 -2.415058772e-01 4.90 -2.298992706e-01 -2.298992706e-01 4.92 -2.186858946e-01 -2.186858946e-01 4.94 -2.078740679e-01 -2.078740679e-01 4.96 -1.974721957e-01 -1.974721957e-01 4.98 -1.874885993e-01 -1.874885993e-01 5.00 -1.779311837e-01 -1.779311837e-01 5.02 -1.688069417e-01 -1.688069417e-01 5.04 -1.601213272e-01 -1.601213272e-01 5.06 -1.518775674e-01 -1.518775674e-01 5.08 -1.440760016e-01 -1.440760016e-01 5.10 -1.367135395e-01 -1.367135395e-01 5.12 -1.297833140e-01 -1.297833140e-01 5.14 -1.232745751e-01 -1.232745751e-01 5.16 -1.171728372e-01 -1.171728372e-01 5.18 -1.114602580e-01 -1.114602580e-01 5.20 -1.061161918e-01 -1.061161918e-01 5.22 -1.011176324e-01 -1.011176324e-01 5.24 -9.644007228e-02 -9.644007228e-02 5.26 -9.205893108e-02 -9.205893108e-02 5.28 -8.794934161e-02 -8.794934161e-02 5.30 -8.408670841e-02 -8.408670841e-02 5.32 -8.044717325e-02 -8.044717325e-02 5.34 -7.700795274e-02 -7.700795274e-02 5.36 -7.374756242e-02 -7.374756242e-02 5.38 -7.064594663e-02 -7.064594663e-02 5.40 -6.768453567e-02 -6.768453567e-02 5.42 -6.484625080e-02 -6.484625080e-02 5.44 -6.211547616e-02 -6.211547616e-02 5.46 -5.947801382e-02 -5.947801382e-02 5.48 -5.692103531e-02 -5.692103531e-02 5.50 -5.443303993e-02 -5.443303993e-02 5.52 -5.200382745e-02 -5.200382745e-02 5.54 -4.962448985e-02 -4.962448985e-02 5.56 -4.728742413e-02 -4.728742413e-02 5.58 -4.498636526e-02 -4.498636526e-02 5.60 -4.271643578e-02 -4.271643578e-02 5.62 -4.047420519e-02 -4.047420519e-02 5.64 -3.825774966e-02 -3.825774966e-02 5.66 -3.606670039e-02 -3.606670039e-02 5.68 -3.390226390e-02 -3.390226390e-02 5.70 -3.176720368e-02 -3.176720368e-02 5.72 -2.966576669e-02 -2.966576669e-02 5.74 -2.760354379e-02 -2.760354379e-02 5.76 -2.558725862e-02 -2.558725862e-02 5.78 -2.362448590e-02 -2.362448590e-02 5.80 -2.172331148e-02 -2.172331148e-02 5.82 -1.989194588e-02 -1.989194588e-02 5.84 -1.813832059e-02 -1.813832059e-02 5.86 -1.646969640e-02 -1.646969640e-02 5.88 -1.489231282e-02 -1.489231282e-02 5.90 -1.341110471e-02 -1.341110471e-02 5.92 -1.202943190e-02 -1.202943190e-02 5.94 -1.074895269e-02 -1.074895269e-02 5.96 -9.570015781e-03 -9.570015781e-03 5.98 -8.491426385e-03 -8.491426385e-03 6.00 -7.510582657e-03 -7.510582657e-03