# 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 = AgCu2Fe # 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 1.533019115e+02 1.533019115e+02 1.30 1.406621999e+02 1.406621999e+02 1.32 1.290458121e+02 1.290458121e+02 1.34 1.183611968e+02 1.183611968e+02 1.36 1.085269899e+02 1.085269899e+02 1.38 9.947178209e+01 9.947178209e+01 1.40 9.113253715e+01 9.113253715e+01 1.42 8.345277660e+01 8.345277660e+01 1.44 7.638094912e+01 7.638094912e+01 1.46 6.986918916e+01 6.986918916e+01 1.48 6.387274107e+01 6.387274107e+01 1.50 5.835006584e+01 5.835006584e+01 1.52 5.326317357e+01 5.326317357e+01 1.54 4.857759113e+01 4.857759113e+01 1.56 4.426178865e+01 4.426178865e+01 1.58 4.028797998e+01 4.028797998e+01 1.60 3.663014470e+01 3.663014470e+01 1.62 3.326374944e+01 3.326374944e+01 1.64 3.016674313e+01 3.016674313e+01 1.66 2.731900080e+01 2.731900080e+01 1.68 2.470172220e+01 2.470172220e+01 1.70 2.229693455e+01 2.229693455e+01 1.72 2.008726597e+01 2.008726597e+01 1.74 1.805602537e+01 1.805602537e+01 1.76 1.618751592e+01 1.618751592e+01 1.78 1.446742048e+01 1.446742048e+01 1.80 1.288307325e+01 1.288307325e+01 1.82 1.142350081e+01 1.142350081e+01 1.84 1.007922724e+01 1.007922724e+01 1.86 8.841933283e+00 8.841933283e+00 1.88 7.704095141e+00 7.704095141e+00 1.90 6.658699011e+00 6.658699011e+00 1.92 5.699070446e+00 5.699070446e+00 1.94 4.818813902e+00 4.818813902e+00 1.96 4.011832801e+00 4.011832801e+00 1.98 3.272387642e+00 3.272387642e+00 2.00 2.595151287e+00 2.595151287e+00 2.02 1.975237780e+00 1.975237780e+00 2.04 1.408200986e+00 1.408200986e+00 2.06 8.900094375e-01 8.900094375e-01 2.08 4.170055869e-01 4.170055869e-01 2.10 -1.414262604e-02 -1.414262604e-02 2.12 -4.064911282e-01 -4.064911282e-01 2.14 -7.628655256e-01 -7.628655256e-01 2.16 -1.085901197e+00 -1.085901197e+00 2.18 -1.378076363e+00 -1.378076363e+00 2.20 -1.641736773e+00 -1.641736773e+00 2.22 -1.879111376e+00 -1.879111376e+00 2.24 -2.092320641e+00 -2.092320641e+00 2.26 -2.283381723e+00 -2.283381723e+00 2.28 -2.454213968e+00 -2.454213968e+00 2.30 -2.606642838e+00 -2.606642838e+00 2.32 -2.742394386e+00 -2.742394386e+00 2.34 -2.863073421e+00 -2.863073421e+00 2.36 -2.970128805e+00 -2.970128805e+00 2.38 -3.064820883e+00 -3.064820883e+00 2.40 -3.148208445e+00 -3.148208445e+00 2.42 -3.221163160e+00 -3.221163160e+00 2.44 -3.284406131e+00 -3.284406131e+00 2.46 -3.338556281e+00 -3.338556281e+00 2.48 -3.384243392e+00 -3.384243392e+00 2.50 -3.422432743e+00 -3.422432743e+00 2.52 -3.453219157e+00 -3.453219157e+00 2.54 -3.476617043e+00 -3.476617043e+00 2.56 -3.492743871e+00 -3.492743871e+00 2.58 -3.501803819e+00 -3.501803819e+00 2.60 -3.504095983e+00 -3.504095983e+00 2.62 -3.500044869e+00 -3.500044869e+00 2.64 -3.489847757e+00 -3.489847757e+00 2.66 -3.473778377e+00 -3.473778377e+00 2.68 -3.452184453e+00 -3.452184453e+00 2.70 -3.425458099e+00 -3.425458099e+00 2.72 -3.394019184e+00 -3.394019184e+00 2.74 -3.358297865e+00 -3.358297865e+00 2.76 -3.318724035e+00 -3.318724035e+00 2.78 -3.275709526e+00 -3.275709526e+00 2.80 -3.229626197e+00 -3.229626197e+00 2.82 -3.180801618e+00 -3.180801618e+00 2.84 -3.129522719e+00 -3.129522719e+00 2.86 -3.076044270e+00 -3.076044270e+00 2.88 -3.020598704e+00 -3.020598704e+00 2.90 -2.963404392e+00 -2.963404392e+00 2.92 -2.904671037e+00 -2.904671037e+00 2.94 -2.844602204e+00 -2.844602204e+00 2.96 -2.783395901e+00 -2.783395901e+00 2.98 -2.721244223e+00 -2.721244223e+00 3.00 -2.658332813e+00 -2.658332813e+00 3.02 -2.594840343e+00 -2.594840343e+00 3.04 -2.530937898e+00 -2.530937898e+00 3.06 -2.466788001e+00 -2.466788001e+00 3.08 -2.402543212e+00 -2.402543212e+00 3.10 -2.338344613e+00 -2.338344613e+00 3.12 -2.274320792e+00 -2.274320792e+00 3.14 -2.210588040e+00 -2.210588040e+00 3.16 -2.147252189e+00 -2.147252189e+00 3.18 -2.084412004e+00 -2.084412004e+00 3.20 -2.022163528e+00 -2.022163528e+00 3.22 -1.960604398e+00 -1.960604398e+00 3.24 -1.899837124e+00 -1.899837124e+00 3.26 -1.839970533e+00 -1.839970533e+00 3.28 -1.781118995e+00 -1.781118995e+00 3.30 -1.723399478e+00 -1.723399478e+00 3.32 -1.666926926e+00 -1.666926926e+00 3.34 -1.611808701e+00 -1.611808701e+00 3.36 -1.558138967e+00 -1.558138967e+00 3.38 -1.505993846e+00 -1.505993846e+00 3.40 -1.455427945e+00 -1.455427945e+00 3.42 -1.406472601e+00 -1.406472601e+00 3.44 -1.359135856e+00 -1.359135856e+00 3.46 -1.313403954e+00 -1.313403954e+00 3.48 -1.269243966e+00 -1.269243966e+00 3.50 -1.226607088e+00 -1.226607088e+00 3.52 -1.185432224e+00 -1.185432224e+00 3.54 -1.145649490e+00 -1.145649490e+00 3.56 -1.107183452e+00 -1.107183452e+00 3.58 -1.069955973e+00 -1.069955973e+00 3.60 -1.033888670e+00 -1.033888670e+00 3.62 -9.989050167e-01 -9.989050167e-01 3.64 -9.649322019e-01 -9.649322019e-01 3.66 -9.319028111e-01 -9.319028111e-01 3.68 -8.997564120e-01 -8.997564120e-01 3.70 -8.684410590e-01 -8.684410590e-01 3.72 -8.379146744e-01 -8.379146744e-01 3.74 -8.081461906e-01 -8.081461906e-01 3.76 -7.791162716e-01 -7.791162716e-01 3.78 -7.508173953e-01 -7.508173953e-01 3.80 -7.232530874e-01 -7.232530874e-01 3.82 -6.964361719e-01 -6.964361719e-01 3.84 -6.703860426e-01 -6.703860426e-01 3.86 -6.451251413e-01 -6.451251413e-01 3.88 -6.206750062e-01 -6.206750062e-01 3.90 -5.970523742e-01 -5.970523742e-01 3.92 -5.742658416e-01 -5.742658416e-01 3.94 -5.523134923e-01 -5.523134923e-01 3.96 -5.311817149e-01 -5.311817149e-01 3.98 -5.108452268e-01 -5.108452268e-01 4.00 -4.912681206e-01 -4.912681206e-01 4.02 -4.724056364e-01 -4.724056364e-01 4.04 -4.542063295e-01 -4.542063295e-01 4.06 -4.366143371e-01 -4.366143371e-01 4.08 -4.195715304e-01 -4.195715304e-01 4.10 -4.030194298e-01 -4.030194298e-01 4.12 -3.869008530e-01 -3.869008530e-01 4.14 -3.711613017e-01 -3.711613017e-01 4.16 -3.557501686e-01 -3.557501686e-01 4.18 -3.406218122e-01 -3.406218122e-01 4.20 -3.257365679e-01 -3.257365679e-01 4.22 -3.110617276e-01 -3.110617276e-01 4.24 -2.965724962e-01 -2.965724962e-01 4.26 -2.822528955e-01 -2.822528955e-01 4.28 -2.680965560e-01 -2.680965560e-01 4.30 -2.541073083e-01 -2.541073083e-01 4.32 -2.402994655e-01 -2.402994655e-01 4.34 -2.266976845e-01 -2.266976845e-01 4.36 -2.133363018e-01 -2.133363018e-01 4.38 -2.002580714e-01 -2.002580714e-01 4.40 -1.875122841e-01 -1.875122841e-01 4.42 -1.751523131e-01 -1.751523131e-01 4.44 -1.632327154e-01 -1.632327154e-01 4.46 -1.518060899e-01 -1.518060899e-01 4.48 -1.409199579e-01 -1.409199579e-01 4.50 -1.306139510e-01 -1.306139510e-01 4.52 -1.209175720e-01 -1.209175720e-01 4.54 -1.118487293e-01 -1.118487293e-01 4.56 -1.034131453e-01 -1.034131453e-01 4.58 -9.560462762e-02 -9.560462762e-02 4.60 -8.840609230e-02 -8.840609230e-02 4.62 -8.179115578e-02 -8.179115578e-02 4.64 -7.572607682e-02 -7.572607682e-02 4.66 -7.017183206e-02 -7.017183206e-02 4.68 -6.508614687e-02 -6.508614687e-02 4.70 -6.042534579e-02 -6.042534579e-02 4.72 -5.614567088e-02 -5.614567088e-02 4.74 -5.220470351e-02 -5.220470351e-02 4.76 -4.856325449e-02 -4.856325449e-02 4.78 -4.518525767e-02 -4.518525767e-02 4.80 -4.203801851e-02 -4.203801851e-02 4.82 -3.909259563e-02 -3.909259563e-02 4.84 -3.632397228e-02 -3.632397228e-02 4.86 -3.371107884e-02 -3.371107884e-02 4.88 -3.123669134e-02 -3.123669134e-02 4.90 -2.888723360e-02 -2.888723360e-02 4.92 -2.665249742e-02 -2.665249742e-02 4.94 -2.452529104e-02 -2.452529104e-02 4.96 -2.250102485e-02 -2.250102485e-02 4.98 -2.057724682e-02 -2.057724682e-02 5.00 -1.875314202e-02 -1.875314202e-02 5.02 -1.702901691e-02 -1.702901691e-02 5.04 -1.540579309e-02 -1.540579309e-02 5.06 -1.388453687e-02 -1.388453687e-02 5.08 -1.246596448e-02 -1.246596448e-02 5.10 -1.115013433e-02 -1.115013433e-02 5.12 -9.936550267e-03 -9.936550267e-03 5.14 -8.823735913e-03 -8.823735913e-03 5.16 -7.809186591e-03 -7.809186591e-03 5.18 -6.889419476e-03 -6.889419476e-03 5.20 -6.060088548e-03 -6.060088548e-03 5.22 -5.316143393e-03 -5.316143393e-03 5.24 -4.652011225e-03 -4.652011225e-03 5.26 -4.061783929e-03 -4.061783929e-03 5.28 -3.539395711e-03 -3.539395711e-03 5.30 -3.078781224e-03 -3.078781224e-03 5.32 -2.674008196e-03 -2.674008196e-03 5.34 -2.319382138e-03 -2.319382138e-03 5.36 -2.009523480e-03 -2.009523480e-03 5.38 -1.739419372e-03 -1.739419372e-03 5.40 -1.504453503e-03 -1.504453503e-03 5.42 -1.300417817e-03 -1.300417817e-03 5.44 -1.123509995e-03 -1.123509995e-03 5.46 -9.703203388e-04 -9.703203388e-04 5.48 -8.378112218e-04 -8.378112218e-04 5.50 -7.232917558e-04 -7.232917558e-04 5.52 -6.243897983e-04 -6.243897983e-04 5.54 -5.390229356e-04 -5.390229356e-04 5.56 -4.653696468e-04 -4.653696468e-04 5.58 -4.018414986e-04 -4.018414986e-04 5.60 -3.470569298e-04 -3.470569298e-04 5.62 -2.998169635e-04 -2.998169635e-04 5.64 -2.590830134e-04 -2.590830134e-04 5.66 -2.239568261e-04 -2.239568261e-04 5.68 -1.936625211e-04 -1.936625211e-04 5.70 -1.675306256e-04 -1.675306256e-04 5.72 -1.449839728e-04 -1.449839728e-04 5.74 -1.255253088e-04 -1.255253088e-04 5.76 -1.087264488e-04 -1.087264488e-04 5.78 -9.421882271e-05 -9.421882271e-05 5.80 -8.168525745e-05 -8.168525745e-05 5.82 -7.085285181e-05 -7.085285181e-05 5.84 -6.148681179e-05 -6.148681179e-05 5.86 -5.338512613e-05 -5.338512613e-05 5.88 -4.637397428e-05 -4.637397428e-05 5.90 -4.030377057e-05 -4.030377057e-05 5.92 -3.504575976e-05 -3.504575976e-05 5.94 -3.048908930e-05 -3.048908930e-05 5.96 -2.653829295e-05 -2.653829295e-05 5.98 -2.311112907e-05 -2.311112907e-05 6.00 -2.013672406e-05 -2.013672406e-05