# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co # implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr2 # composition = AlCoNi2 # 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 2022-05-24 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 3.680042234e+04 3.680042234e+04 1.12 3.301759138e+04 3.301759138e+04 1.14 2.952329773e+04 2.952329773e+04 1.16 2.629760312e+04 2.629760312e+04 1.18 2.332048921e+04 2.332048921e+04 1.20 2.057508848e+04 2.057508848e+04 1.22 1.804613758e+04 1.804613758e+04 1.24 1.572164670e+04 1.572164670e+04 1.26 1.359259024e+04 1.359259024e+04 1.28 1.164822862e+04 1.164822862e+04 1.30 9.875530652e+03 9.875530652e+03 1.32 8.262509383e+03 8.262509383e+03 1.34 6.825298083e+03 6.825298083e+03 1.36 5.713326350e+03 5.713326350e+03 1.38 4.852702117e+03 4.852702117e+03 1.40 4.151199521e+03 4.151199521e+03 1.42 3.544936679e+03 3.544936679e+03 1.44 3.010976675e+03 3.010976675e+03 1.46 2.543498653e+03 2.543498653e+03 1.48 2.136829292e+03 2.136829292e+03 1.50 1.785354935e+03 1.785354935e+03 1.52 1.483658504e+03 1.483658504e+03 1.54 1.226557972e+03 1.226557972e+03 1.56 1.009137222e+03 1.009137222e+03 1.58 8.267714179e+02 8.267714179e+02 1.60 6.750698254e+02 6.750698254e+02 1.62 5.498151423e+02 5.498151423e+02 1.64 4.471223035e+02 4.471223035e+02 1.66 3.634623278e+02 3.634623278e+02 1.68 2.956441587e+02 2.956441587e+02 1.70 2.408227856e+02 2.408227856e+02 1.72 1.965164060e+02 1.965164060e+02 1.74 1.606074055e+02 1.606074055e+02 1.76 1.313267782e+02 1.313267782e+02 1.78 1.072366502e+02 1.072366502e+02 1.80 8.724915812e+01 8.724915812e+01 1.82 7.064918684e+01 7.064918684e+01 1.84 5.694290245e+01 5.694290245e+01 1.86 4.568906468e+01 4.568906468e+01 1.88 3.648291338e+01 3.648291338e+01 1.90 2.896396954e+01 2.896396954e+01 1.92 2.281775592e+01 2.281775592e+01 1.94 1.777709284e+01 1.777709284e+01 1.96 1.362229189e+01 1.362229189e+01 1.98 1.017976987e+01 1.017976987e+01 2.00 7.317943467e+00 7.317943467e+00 2.02 4.940534011e+00 4.940534011e+00 2.04 2.972255520e+00 2.972255520e+00 2.06 1.354756446e+00 1.354756446e+00 2.08 4.579593030e-02 4.579593030e-02 2.10 -9.923579263e-01 -9.923579263e-01 2.12 -1.800010605e+00 -1.800010605e+00 2.14 -2.418453098e+00 -2.418453098e+00 2.16 -2.886319342e+00 -2.886319342e+00 2.18 -3.237929893e+00 -3.237929893e+00 2.20 -3.502203266e+00 -3.502203266e+00 2.22 -3.702225303e+00 -3.702225303e+00 2.24 -3.856343028e+00 -3.856343028e+00 2.26 -3.978225111e+00 -3.978225111e+00 2.28 -4.077081566e+00 -4.077081566e+00 2.30 -4.158004957e+00 -4.158004957e+00 2.32 -4.222072812e+00 -4.222072812e+00 2.34 -4.268392244e+00 -4.268392244e+00 2.36 -4.296615802e+00 -4.296615802e+00 2.38 -4.308720051e+00 -4.308720051e+00 2.40 -4.310336754e+00 -4.310336754e+00 2.42 -4.309381455e+00 -4.309381455e+00 2.44 -4.311119024e+00 -4.311119024e+00 2.46 -4.315212857e+00 -4.315212857e+00 2.48 -4.318126779e+00 -4.318126779e+00 2.50 -4.316699921e+00 -4.316699921e+00 2.52 -4.309836563e+00 -4.309836563e+00 2.54 -4.297796095e+00 -4.297796095e+00 2.56 -4.280965826e+00 -4.280965826e+00 2.58 -4.259740328e+00 -4.259740328e+00 2.60 -4.234535375e+00 -4.234535375e+00 2.62 -4.205779408e+00 -4.205779408e+00 2.64 -4.173872611e+00 -4.173872611e+00 2.66 -4.139150597e+00 -4.139150597e+00 2.68 -4.101853273e+00 -4.101853273e+00 2.70 -4.062095823e+00 -4.062095823e+00 2.72 -4.019864002e+00 -4.019864002e+00 2.74 -3.975062786e+00 -3.975062786e+00 2.76 -3.927664080e+00 -3.927664080e+00 2.78 -3.877924644e+00 -3.877924644e+00 2.80 -3.826562644e+00 -3.826562644e+00 2.82 -3.774677009e+00 -3.774677009e+00 2.84 -3.723362494e+00 -3.723362494e+00 2.86 -3.673254573e+00 -3.673254573e+00 2.88 -3.624346401e+00 -3.624346401e+00 2.90 -3.576173050e+00 -3.576173050e+00 2.92 -3.528102839e+00 -3.528102839e+00 2.94 -3.479548668e+00 -3.479548668e+00 2.96 -3.430060358e+00 -3.430060358e+00 2.98 -3.379321127e+00 -3.379321127e+00 3.00 -3.327024226e+00 -3.327024226e+00 3.02 -3.272755305e+00 -3.272755305e+00 3.04 -3.215971523e+00 -3.215971523e+00 3.06 -3.156025702e+00 -3.156025702e+00 3.08 -3.092280179e+00 -3.092280179e+00 3.10 -3.024388231e+00 -3.024388231e+00 3.12 -2.952757203e+00 -2.952757203e+00 3.14 -2.878997590e+00 -2.878997590e+00 3.16 -2.805837409e+00 -2.805837409e+00 3.18 -2.736083213e+00 -2.736083213e+00 3.20 -2.671124250e+00 -2.671124250e+00 3.22 -2.610280077e+00 -2.610280077e+00 3.24 -2.551837067e+00 -2.551837067e+00 3.26 -2.495151301e+00 -2.495151301e+00 3.28 -2.441123981e+00 -2.441123981e+00 3.30 -2.390056126e+00 -2.390056126e+00 3.32 -2.341120836e+00 -2.341120836e+00 3.34 -2.293368872e+00 -2.293368872e+00 3.36 -2.246191252e+00 -2.246191252e+00 3.38 -2.200908332e+00 -2.200908332e+00 3.40 -2.161421718e+00 -2.161421718e+00 3.42 -2.127256113e+00 -2.127256113e+00 3.44 -2.095788650e+00 -2.095788650e+00 3.46 -2.065704204e+00 -2.065704204e+00 3.48 -2.036443562e+00 -2.036443562e+00 3.50 -2.007755875e+00 -2.007755875e+00 3.52 -1.979524037e+00 -1.979524037e+00 3.54 -1.951673457e+00 -1.951673457e+00 3.56 -1.924157645e+00 -1.924157645e+00 3.58 -1.896950237e+00 -1.896950237e+00 3.60 -1.870040897e+00 -1.870040897e+00 3.62 -1.843438751e+00 -1.843438751e+00 3.64 -1.817165240e+00 -1.817165240e+00 3.66 -1.791250174e+00 -1.791250174e+00 3.68 -1.765728416e+00 -1.765728416e+00 3.70 -1.740635828e+00 -1.740635828e+00 3.72 -1.716004405e+00 -1.716004405e+00 3.74 -1.691859731e+00 -1.691859731e+00 3.76 -1.668220654e+00 -1.668220654e+00 3.78 -1.645099150e+00 -1.645099150e+00 3.80 -1.622500921e+00 -1.622500921e+00 3.82 -1.600426314e+00 -1.600426314e+00 3.84 -1.578870993e+00 -1.578870993e+00 3.86 -1.557825311e+00 -1.557825311e+00 3.88 -1.537278604e+00 -1.537278604e+00 3.90 -1.517220049e+00 -1.517220049e+00 3.92 -1.497636078e+00 -1.497636078e+00 3.94 -1.478510774e+00 -1.478510774e+00 3.96 -1.459825472e+00 -1.459825472e+00 3.98 -1.441557762e+00 -1.441557762e+00 4.00 -1.423681027e+00 -1.423681027e+00 4.02 -1.406169092e+00 -1.406169092e+00 4.04 -1.388992270e+00 -1.388992270e+00 4.06 -1.372118623e+00 -1.372118623e+00 4.08 -1.355514122e+00 -1.355514122e+00 4.10 -1.339142818e+00 -1.339142818e+00 4.12 -1.322967007e+00 -1.322967007e+00 4.14 -1.306947436e+00 -1.306947436e+00 4.16 -1.291043498e+00 -1.291043498e+00 4.18 -1.275213466e+00 -1.275213466e+00 4.20 -1.259414726e+00 -1.259414726e+00 4.22 -1.243604049e+00 -1.243604049e+00 4.24 -1.227739158e+00 -1.227739158e+00 4.26 -1.211782454e+00 -1.211782454e+00 4.28 -1.195700058e+00 -1.195700058e+00 4.30 -1.179467197e+00 -1.179467197e+00 4.32 -1.163062686e+00 -1.163062686e+00 4.34 -1.146467378e+00 -1.146467378e+00 4.36 -1.129664408e+00 -1.129664408e+00 4.38 -1.112639656e+00 -1.112639656e+00 4.40 -1.095382454e+00 -1.095382454e+00 4.42 -1.077886073e+00 -1.077886073e+00 4.44 -1.060148214e+00 -1.060148214e+00 4.46 -1.042171495e+00 -1.042171495e+00 4.48 -1.023963917e+00 -1.023963917e+00 4.50 -1.005539114e+00 -1.005539114e+00 4.52 -9.869154031e-01 -9.869154031e-01 4.54 -9.681147938e-01 -9.681147938e-01 4.56 -9.491623202e-01 -9.491623202e-01 4.58 -9.300867097e-01 -9.300867097e-01 4.60 -9.109204645e-01 -9.109204645e-01 4.62 -8.916996609e-01 -8.916996609e-01 4.64 -8.724636165e-01 -8.724636165e-01 4.66 -8.532544779e-01 -8.532544779e-01 4.68 -8.341165816e-01 -8.341165816e-01 4.70 -8.150960474e-01 -8.150960474e-01 4.72 -7.962396007e-01 -7.962396007e-01 4.74 -7.775894792e-01 -7.775894792e-01 4.76 -7.591841370e-01 -7.591841370e-01 4.78 -7.410605073e-01 -7.410605073e-01 4.80 -7.232518564e-01 -7.232518564e-01 4.82 -7.057885958e-01 -7.057885958e-01 4.84 -6.886972344e-01 -6.886972344e-01 4.86 -6.720039952e-01 -6.720039952e-01 4.88 -6.557320950e-01 -6.557320950e-01 4.90 -6.399001960e-01 -6.399001960e-01 4.92 -6.245120910e-01 -6.245120910e-01 4.94 -6.095526416e-01 -6.095526416e-01 4.96 -5.950055903e-01 -5.950055903e-01 4.98 -5.808686470e-01 -5.808686470e-01 5.00 -5.672003392e-01 -5.672003392e-01 5.02 -5.540234730e-01 -5.540234730e-01 5.04 -5.413470169e-01 -5.413470169e-01 5.06 -5.289746846e-01 -5.289746846e-01 5.08 -5.167674854e-01 -5.167674854e-01 5.10 -5.046254929e-01 -5.046254929e-01 5.12 -4.925299115e-01 -4.925299115e-01 5.14 -4.806217828e-01 -4.806217828e-01 5.16 -4.689852590e-01 -4.689852590e-01 5.18 -4.575847188e-01 -4.575847188e-01 5.20 -4.464292397e-01 -4.464292397e-01 5.22 -4.354974011e-01 -4.354974011e-01 5.24 -4.247424944e-01 -4.247424944e-01 5.26 -4.141116405e-01 -4.141116405e-01 5.28 -4.035587224e-01 -4.035587224e-01 5.30 -3.930515963e-01 -3.930515963e-01 5.32 -3.825757021e-01 -3.825757021e-01 5.34 -3.721353311e-01 -3.721353311e-01 5.36 -3.617523498e-01 -3.617523498e-01 5.38 -3.514612244e-01 -3.514612244e-01 5.40 -3.413022767e-01 -3.413022767e-01 5.42 -3.313140988e-01 -3.313140988e-01 5.44 -3.215267701e-01 -3.215267701e-01 5.46 -3.119573169e-01 -3.119573169e-01 5.48 -3.026080438e-01 -3.026080438e-01 5.50 -2.934670635e-01 -2.934670635e-01 5.52 -2.845114591e-01 -2.845114591e-01 5.54 -2.757126052e-01 -2.757126052e-01 5.56 -2.670387669e-01 -2.670387669e-01 5.58 -2.584578334e-01 -2.584578334e-01 5.60 -2.499400601e-01 -2.499400601e-01 5.62 -2.414604023e-01 -2.414604023e-01 5.64 -2.329976571e-01 -2.329976571e-01 5.66 -2.245341227e-01 -2.245341227e-01 5.68 -2.160557521e-01 -2.160557521e-01 5.70 -2.075504570e-01 -2.075504570e-01 5.72 -1.990051021e-01 -1.990051021e-01 5.74 -1.904050441e-01 -1.904050441e-01 5.76 -1.817346028e-01 -1.817346028e-01 5.78 -1.729762530e-01 -1.729762530e-01 5.80 -1.641139128e-01 -1.641139128e-01 5.82 -1.551332218e-01 -1.551332218e-01 5.84 -1.460132621e-01 -1.460132621e-01 5.86 -1.367445552e-01 -1.367445552e-01 5.88 -1.273303432e-01 -1.273303432e-01 5.90 -1.177712314e-01 -1.177712314e-01 5.92 -1.081284896e-01 -1.081284896e-01 5.94 -9.838689371e-02 -9.838689371e-02 5.96 -8.827301596e-02 -8.827301596e-02 5.98 -7.850869688e-02 -7.850869688e-02 6.00 -6.945086149e-02 -6.945086149e-02