# 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 = Au2MgW # 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 4.562774731e+02 4.562774731e+02 1.30 4.228232477e+02 4.228232477e+02 1.32 3.918648915e+02 3.918648915e+02 1.34 3.631998222e+02 3.631998222e+02 1.36 3.366466662e+02 3.366466662e+02 1.38 3.120428874e+02 3.120428874e+02 1.40 2.892416092e+02 2.892416092e+02 1.42 2.681078407e+02 2.681078407e+02 1.44 2.485154216e+02 2.485154216e+02 1.46 2.303454509e+02 2.303454509e+02 1.48 2.134861485e+02 2.134861485e+02 1.50 1.978337157e+02 1.978337157e+02 1.52 1.832933257e+02 1.832933257e+02 1.54 1.697792992e+02 1.697792992e+02 1.56 1.572142754e+02 1.572142754e+02 1.58 1.455278662e+02 1.455278662e+02 1.60 1.346553725e+02 1.346553725e+02 1.62 1.245367930e+02 1.245367930e+02 1.64 1.151161366e+02 1.151161366e+02 1.66 1.063410254e+02 1.063410254e+02 1.68 9.816263661e+01 9.816263661e+01 1.70 9.053593875e+01 9.053593875e+01 1.72 8.342003617e+01 8.342003617e+01 1.74 7.677839487e+01 7.677839487e+01 1.76 7.057881745e+01 7.057881745e+01 1.78 6.479355193e+01 6.479355193e+01 1.80 5.939795821e+01 5.939795821e+01 1.82 5.438762498e+01 5.438762498e+01 1.84 4.975219133e+01 4.975219133e+01 1.86 4.546757211e+01 4.546757211e+01 1.88 4.151040822e+01 4.151040822e+01 1.90 3.785794621e+01 3.785794621e+01 1.92 3.448819969e+01 3.448819969e+01 1.94 3.138011282e+01 3.138011282e+01 1.96 2.851367187e+01 2.851367187e+01 1.98 2.586997060e+01 2.586997060e+01 2.00 2.343127612e+01 2.343127612e+01 2.02 2.118110363e+01 2.118110363e+01 2.04 1.910426381e+01 1.910426381e+01 2.06 1.718684078e+01 1.718684078e+01 2.08 1.541609923e+01 1.541609923e+01 2.10 1.378036212e+01 1.378036212e+01 2.12 1.226890146e+01 1.226890146e+01 2.14 1.087186864e+01 1.087186864e+01 2.16 9.580257813e+00 9.580257813e+00 2.18 8.385882150e+00 8.385882150e+00 2.20 7.281343648e+00 7.281343648e+00 2.22 6.259982948e+00 6.259982948e+00 2.24 5.315811168e+00 5.315811168e+00 2.26 4.443430543e+00 4.443430543e+00 2.28 3.637951844e+00 3.637951844e+00 2.30 2.894918247e+00 2.894918247e+00 2.32 2.210236361e+00 2.210236361e+00 2.34 1.580118769e+00 1.580118769e+00 2.36 1.001114704e+00 1.001114704e+00 2.38 4.699092652e-01 4.699092652e-01 2.40 -1.669826437e-02 -1.669826437e-02 2.42 -4.617068104e-01 -4.617068104e-01 2.44 -8.679338196e-01 -8.679338196e-01 2.46 -1.238032667e+00 -1.238032667e+00 2.48 -1.574507985e+00 -1.574507985e+00 2.50 -1.879722719e+00 -1.879722719e+00 2.52 -2.155738603e+00 -2.155738603e+00 2.54 -2.404373853e+00 -2.404373853e+00 2.56 -2.627419304e+00 -2.627419304e+00 2.58 -2.826639632e+00 -2.826639632e+00 2.60 -3.003758806e+00 -3.003758806e+00 2.62 -3.160438644e+00 -3.160438644e+00 2.64 -3.298253262e+00 -3.298253262e+00 2.66 -3.418664588e+00 -3.418664588e+00 2.68 -3.523006246e+00 -3.523006246e+00 2.70 -3.612479406e+00 -3.612479406e+00 2.72 -3.688160753e+00 -3.688160753e+00 2.74 -3.751018725e+00 -3.751018725e+00 2.76 -3.801932837e+00 -3.801932837e+00 2.78 -3.841711640e+00 -3.841711640e+00 2.80 -3.871109435e+00 -3.871109435e+00 2.82 -3.890968359e+00 -3.890968359e+00 2.84 -3.901915141e+00 -3.901915141e+00 2.86 -3.904437556e+00 -3.904437556e+00 2.88 -3.899028410e+00 -3.899028410e+00 2.90 -3.886183378e+00 -3.886183378e+00 2.92 -3.866399446e+00 -3.866399446e+00 2.94 -3.840173851e+00 -3.840173851e+00 2.96 -3.808003142e+00 -3.808003142e+00 2.98 -3.770375252e+00 -3.770375252e+00 3.00 -3.727760936e+00 -3.727760936e+00 3.02 -3.680624610e+00 -3.680624610e+00 3.04 -3.629420513e+00 -3.629420513e+00 3.06 -3.574586205e+00 -3.574586205e+00 3.08 -3.516532188e+00 -3.516532188e+00 3.10 -3.455634471e+00 -3.455634471e+00 3.12 -3.392226883e+00 -3.392226883e+00 3.14 -3.326597206e+00 -3.326597206e+00 3.16 -3.258985518e+00 -3.258985518e+00 3.18 -3.189587875e+00 -3.189587875e+00 3.20 -3.118565987e+00 -3.118565987e+00 3.22 -3.046074503e+00 -3.046074503e+00 3.24 -2.972193682e+00 -2.972193682e+00 3.26 -2.896996182e+00 -2.896996182e+00 3.28 -2.820569112e+00 -2.820569112e+00 3.30 -2.743019742e+00 -2.743019742e+00 3.32 -2.664481136e+00 -2.664481136e+00 3.34 -2.585113178e+00 -2.585113178e+00 3.36 -2.505079519e+00 -2.505079519e+00 3.38 -2.424575261e+00 -2.424575261e+00 3.40 -2.343844549e+00 -2.343844549e+00 3.42 -2.263173896e+00 -2.263173896e+00 3.44 -2.182883061e+00 -2.182883061e+00 3.46 -2.103314184e+00 -2.103314184e+00 3.48 -2.024818786e+00 -2.024818786e+00 3.50 -1.947743614e+00 -1.947743614e+00 3.52 -1.872416375e+00 -1.872416375e+00 3.54 -1.799132595e+00 -1.799132595e+00 3.56 -1.728144745e+00 -1.728144745e+00 3.58 -1.659654531e+00 -1.659654531e+00 3.60 -1.593808780e+00 -1.593808780e+00 3.62 -1.530698938e+00 -1.530698938e+00 3.64 -1.470363780e+00 -1.470363780e+00 3.66 -1.412794648e+00 -1.412794648e+00 3.68 -1.357942399e+00 -1.357942399e+00 3.70 -1.305725230e+00 -1.305725230e+00 3.72 -1.256036672e+00 -1.256036672e+00 3.74 -1.208753151e+00 -1.208753151e+00 3.76 -1.163740763e+00 -1.163740763e+00 3.78 -1.120860998e+00 -1.120860998e+00 3.80 -1.079975352e+00 -1.079975352e+00 3.82 -1.040948824e+00 -1.040948824e+00 3.84 -1.003652372e+00 -1.003652372e+00 3.86 -9.679644690e-01 -9.679644690e-01 3.88 -9.337718925e-01 -9.337718925e-01 3.90 -9.009699218e-01 -9.009699218e-01 3.92 -8.694619825e-01 -8.694619825e-01 3.94 -8.391597200e-01 -8.391597200e-01 3.96 -8.099815187e-01 -8.099815187e-01 3.98 -7.818525186e-01 -7.818525186e-01 4.00 -7.547039014e-01 -7.547039014e-01 4.02 -7.284724418e-01 -7.284724418e-01 4.04 -7.031001686e-01 -7.031001686e-01 4.06 -6.785341330e-01 -6.785341330e-01 4.08 -6.547262754e-01 -6.547262754e-01 4.10 -6.316330915e-01 -6.316330915e-01 4.12 -6.092168896e-01 -6.092168896e-01 4.14 -5.874439506e-01 -5.874439506e-01 4.16 -5.662860241e-01 -5.662860241e-01 4.18 -5.457200864e-01 -5.457200864e-01 4.20 -5.257284042e-01 -5.257284042e-01 4.22 -5.062984785e-01 -5.062984785e-01 4.24 -4.874228002e-01 -4.874228002e-01 4.26 -4.690983628e-01 -4.690983628e-01 4.28 -4.513258964e-01 -4.513258964e-01 4.30 -4.341088241e-01 -4.341088241e-01 4.32 -4.174519857e-01 -4.174519857e-01 4.34 -4.013602217e-01 -4.013602217e-01 4.36 -3.858369396e-01 -3.858369396e-01 4.38 -3.708828072e-01 -3.708828072e-01 4.40 -3.564947005e-01 -3.564947005e-01 4.42 -3.426650047e-01 -3.426650047e-01 4.44 -3.293813132e-01 -3.293813132e-01 4.46 -3.166265155e-01 -3.166265155e-01 4.48 -3.043792174e-01 -3.043792174e-01 4.50 -2.926144035e-01 -2.926144035e-01 4.52 -2.813042431e-01 -2.813042431e-01 4.54 -2.704189443e-01 -2.704189443e-01 4.56 -2.599275804e-01 -2.599275804e-01 4.58 -2.497988385e-01 -2.497988385e-01 4.60 -2.400016633e-01 -2.400016633e-01 4.62 -2.305057924e-01 -2.305057924e-01 4.64 -2.212821941e-01 -2.212821941e-01 4.66 -2.123034281e-01 -2.123034281e-01 4.68 -2.035439549e-01 -2.035439549e-01 4.70 -1.949804165e-01 -1.949804165e-01 4.72 -1.865919110e-01 -1.865919110e-01 4.74 -1.783602729e-01 -1.783602729e-01 4.76 -1.702703676e-01 -1.702703676e-01 4.78 -1.623103957e-01 -1.623103957e-01 4.80 -1.544720008e-01 -1.544720008e-01 4.82 -1.467513539e-01 -1.467513539e-01 4.84 -1.391481048e-01 -1.391481048e-01 4.86 -1.316663944e-01 -1.316663944e-01 4.88 -1.243146080e-01 -1.243146080e-01 4.90 -1.171051866e-01 -1.171051866e-01 4.92 -1.100542313e-01 -1.100542313e-01 4.94 -1.031808861e-01 -1.031808861e-01 4.96 -9.650650519e-02 -9.650650519e-02 4.98 -9.005363728e-02 -9.005363728e-02 5.00 -8.384488504e-02 -8.384488504e-02 5.02 -7.790171910e-02 -7.790171910e-02 5.04 -7.224333772e-02 -7.224333772e-02 5.06 -6.688566414e-02 -6.688566414e-02 5.08 -6.184056046e-02 -6.184056046e-02 5.10 -5.711531869e-02 -5.711531869e-02 5.12 -5.271243513e-02 -5.271243513e-02 5.14 -4.862968401e-02 -4.862968401e-02 5.16 -4.486045905e-02 -4.486045905e-02 5.18 -4.139430568e-02 -4.139430568e-02 5.20 -3.821752636e-02 -3.821752636e-02 5.22 -3.531324244e-02 -3.531324244e-02 5.24 -3.266403760e-02 -3.266403760e-02 5.26 -3.025165116e-02 -3.025165116e-02 5.28 -2.805715832e-02 -2.805715832e-02 5.30 -2.606166383e-02 -2.606166383e-02 5.32 -2.424695244e-02 -2.424695244e-02 5.34 -2.259566448e-02 -2.259566448e-02 5.36 -2.109152821e-02 -2.109152821e-02 5.38 -1.971957059e-02 -1.971957059e-02 5.40 -1.846619847e-02 -1.846619847e-02 5.42 -1.731918737e-02 -1.731918737e-02 5.44 -1.626763928e-02 -1.626763928e-02 5.46 -1.530190163e-02 -1.530190163e-02 5.48 -1.441346000e-02 -1.441346000e-02 5.50 -1.359481557e-02 -1.359481557e-02 5.52 -1.283935708e-02 -1.283935708e-02 5.54 -1.214123507e-02 -1.214123507e-02 5.56 -1.149524502e-02 -1.149524502e-02 5.58 -1.089672362e-02 -1.089672362e-02 5.60 -1.034146085e-02 -1.034146085e-02 5.62 -9.825628454e-03 -9.825628454e-03 5.64 -9.345724247e-03 -9.345724247e-03 5.66 -8.898530023e-03 -8.898530023e-03 5.68 -8.481080726e-03 -8.481080726e-03 5.70 -8.090641974e-03 -8.090641974e-03 5.72 -7.724693358e-03 -7.724693358e-03 5.74 -7.380915286e-03 -7.380915286e-03 5.76 -7.057177695e-03 -7.057177695e-03 5.78 -6.751529493e-03 -6.751529493e-03 5.80 -6.462188048e-03 -6.462188048e-03 5.82 -6.187528474e-03 -6.187528474e-03 5.84 -5.926072702e-03 -5.926072702e-03 5.86 -5.676478497e-03 -5.676478497e-03 5.88 -5.437528700e-03 -5.437528700e-03 5.90 -5.208120976e-03 -5.208120976e-03 5.92 -4.987258336e-03 -4.987258336e-03 5.94 -4.774040686e-03 -4.774040686e-03 5.96 -4.567657589e-03 -4.567657589e-03 5.98 -4.367382354e-03 -4.367382354e-03 6.00 -4.172567555e-03 -4.172567555e-03