# 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 = FePb2Zr # 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 4.185986371e+02 4.185986371e+02 1.30 3.904735714e+02 3.904735714e+02 1.32 3.643454739e+02 3.643454739e+02 1.34 3.400582484e+02 3.400582484e+02 1.36 3.174672357e+02 3.174672357e+02 1.38 2.964393110e+02 2.964393110e+02 1.40 2.768533401e+02 2.768533401e+02 1.42 2.586003260e+02 2.586003260e+02 1.44 2.415824928e+02 2.415824928e+02 1.46 2.257109943e+02 2.257109943e+02 1.48 2.109034207e+02 2.109034207e+02 1.50 1.970825731e+02 1.970825731e+02 1.52 1.841765208e+02 1.841765208e+02 1.54 1.721188100e+02 1.721188100e+02 1.56 1.608482617e+02 1.608482617e+02 1.58 1.503083695e+02 1.503083695e+02 1.60 1.404468178e+02 1.404468178e+02 1.62 1.312153379e+02 1.312153379e+02 1.64 1.225698505e+02 1.225698505e+02 1.66 1.144705569e+02 1.144705569e+02 1.68 1.068817926e+02 1.068817926e+02 1.70 9.977151007e+01 9.977151007e+01 1.72 9.311042807e+01 9.311042807e+01 1.74 8.687109903e+01 8.687109903e+01 1.76 8.102720349e+01 8.102720349e+01 1.78 7.555323073e+01 7.555323073e+01 1.80 7.042493428e+01 7.042493428e+01 1.82 6.561884604e+01 6.561884604e+01 1.84 6.111266022e+01 6.111266022e+01 1.86 5.689194681e+01 5.689194681e+01 1.88 5.294463381e+01 5.294463381e+01 1.90 4.925207171e+01 4.925207171e+01 1.92 4.579696614e+01 4.579696614e+01 1.94 4.256315443e+01 4.256315443e+01 1.96 3.953551492e+01 3.953551492e+01 1.98 3.669992561e+01 3.669992561e+01 2.00 3.404324515e+01 3.404324515e+01 2.02 3.155329160e+01 3.155329160e+01 2.04 2.921882660e+01 2.921882660e+01 2.06 2.702954855e+01 2.702954855e+01 2.08 2.497607666e+01 2.497607666e+01 2.10 2.304991647e+01 2.304991647e+01 2.12 2.124336041e+01 2.124336041e+01 2.14 1.954935837e+01 1.954935837e+01 2.16 1.796137048e+01 1.796137048e+01 2.18 1.647324182e+01 1.647324182e+01 2.20 1.507912521e+01 1.507912521e+01 2.22 1.377344077e+01 1.377344077e+01 2.24 1.255086878e+01 1.255086878e+01 2.26 1.140636160e+01 1.140636160e+01 2.28 1.033515361e+01 1.033515361e+01 2.30 9.332783593e+00 9.332783593e+00 2.32 8.395086272e+00 8.395086272e+00 2.34 7.518173578e+00 7.518173578e+00 2.36 6.698409347e+00 6.698409347e+00 2.38 5.932377313e+00 5.932377313e+00 2.40 5.216853780e+00 5.216853780e+00 2.42 4.548785966e+00 4.548785966e+00 2.44 3.925287132e+00 3.925287132e+00 2.46 3.343636653e+00 3.343636653e+00 2.48 2.801288886e+00 2.801288886e+00 2.50 2.295878070e+00 2.295878070e+00 2.52 1.825211995e+00 1.825211995e+00 2.54 1.387249480e+00 1.387249480e+00 2.56 9.800177038e-01 9.800177038e-01 2.58 6.017445121e-01 6.017445121e-01 2.60 2.507705382e-01 2.507705382e-01 2.62 -7.450147297e-02 -7.450147297e-02 2.64 -3.756075648e-01 -3.756075648e-01 2.66 -6.540145955e-01 -6.540145955e-01 2.68 -9.111201741e-01 -9.111201741e-01 2.70 -1.148246767e+00 -1.148246767e+00 2.72 -1.366544473e+00 -1.366544473e+00 2.74 -1.567004813e+00 -1.567004813e+00 2.76 -1.750583450e+00 -1.750583450e+00 2.78 -1.918203186e+00 -1.918203186e+00 2.80 -2.070760400e+00 -2.070760400e+00 2.82 -2.209114153e+00 -2.209114153e+00 2.84 -2.334095934e+00 -2.334095934e+00 2.86 -2.446509346e+00 -2.446509346e+00 2.88 -2.547131519e+00 -2.547131519e+00 2.90 -2.636713340e+00 -2.636713340e+00 2.92 -2.715978277e+00 -2.715978277e+00 2.94 -2.785620088e+00 -2.785620088e+00 2.96 -2.846302298e+00 -2.846302298e+00 2.98 -2.898651230e+00 -2.898651230e+00 3.00 -2.943253191e+00 -2.943253191e+00 3.02 -2.980658162e+00 -2.980658162e+00 3.04 -3.011378280e+00 -3.011378280e+00 3.06 -3.035898461e+00 -3.035898461e+00 3.08 -3.054665370e+00 -3.054665370e+00 3.10 -3.068101134e+00 -3.068101134e+00 3.12 -3.076602443e+00 -3.076602443e+00 3.14 -3.080541219e+00 -3.080541219e+00 3.16 -3.080193797e+00 -3.080193797e+00 3.18 -3.075810573e+00 -3.075810573e+00 3.20 -3.067646139e+00 -3.067646139e+00 3.22 -3.055957271e+00 -3.055957271e+00 3.24 -3.041000696e+00 -3.041000696e+00 3.26 -3.023031342e+00 -3.023031342e+00 3.28 -3.002301255e+00 -3.002301255e+00 3.30 -2.979058810e+00 -2.979058810e+00 3.32 -2.953547521e+00 -2.953547521e+00 3.34 -2.926003910e+00 -2.926003910e+00 3.36 -2.896654373e+00 -2.896654373e+00 3.38 -2.865711581e+00 -2.865711581e+00 3.40 -2.833377058e+00 -2.833377058e+00 3.42 -2.799896004e+00 -2.799896004e+00 3.44 -2.765378421e+00 -2.765378421e+00 3.46 -2.729902546e+00 -2.729902546e+00 3.48 -2.693547082e+00 -2.693547082e+00 3.50 -2.656389039e+00 -2.656389039e+00 3.52 -2.618502411e+00 -2.618502411e+00 3.54 -2.579957474e+00 -2.579957474e+00 3.56 -2.540820578e+00 -2.540820578e+00 3.58 -2.501152750e+00 -2.501152750e+00 3.60 -2.461000477e+00 -2.461000477e+00 3.62 -2.420403748e+00 -2.420403748e+00 3.64 -2.379404779e+00 -2.379404779e+00 3.66 -2.338048242e+00 -2.338048242e+00 3.68 -2.296381775e+00 -2.296381775e+00 3.70 -2.254456583e+00 -2.254456583e+00 3.72 -2.212327993e+00 -2.212327993e+00 3.74 -2.170055876e+00 -2.170055876e+00 3.76 -2.127704877e+00 -2.127704877e+00 3.78 -2.085344400e+00 -2.085344400e+00 3.80 -2.043048297e+00 -2.043048297e+00 3.82 -2.000894180e+00 -2.000894180e+00 3.84 -1.958962249e+00 -1.958962249e+00 3.86 -1.917333532e+00 -1.917333532e+00 3.88 -1.876087540e+00 -1.876087540e+00 3.90 -1.835299458e+00 -1.835299458e+00 3.92 -1.795035236e+00 -1.795035236e+00 3.94 -1.755357230e+00 -1.755357230e+00 3.96 -1.716309275e+00 -1.716309275e+00 3.98 -1.677925026e+00 -1.677925026e+00 4.00 -1.640225812e+00 -1.640225812e+00 4.02 -1.603221878e+00 -1.603221878e+00 4.04 -1.566914279e+00 -1.566914279e+00 4.06 -1.531297036e+00 -1.531297036e+00 4.08 -1.496359239e+00 -1.496359239e+00 4.10 -1.462080646e+00 -1.462080646e+00 4.12 -1.428459172e+00 -1.428459172e+00 4.14 -1.395470933e+00 -1.395470933e+00 4.16 -1.363099736e+00 -1.363099736e+00 4.18 -1.331329863e+00 -1.331329863e+00 4.20 -1.300146310e+00 -1.300146310e+00 4.22 -1.269534889e+00 -1.269534889e+00 4.24 -1.239482285e+00 -1.239482285e+00 4.26 -1.209976071e+00 -1.209976071e+00 4.28 -1.181004730e+00 -1.181004730e+00 4.30 -1.152557678e+00 -1.152557678e+00 4.32 -1.124625290e+00 -1.124625290e+00 4.34 -1.097198923e+00 -1.097198923e+00 4.36 -1.070270933e+00 -1.070270933e+00 4.38 -1.043834668e+00 -1.043834668e+00 4.40 -1.017884434e+00 -1.017884434e+00 4.42 -9.924154423e-01 -9.924154423e-01 4.44 -9.674237106e-01 -9.674237106e-01 4.46 -9.429059484e-01 -9.429059484e-01 4.48 -9.188594155e-01 -9.188594155e-01 4.50 -8.952817659e-01 -8.952817659e-01 4.52 -8.721708859e-01 -8.721708859e-01 4.54 -8.495247339e-01 -8.495247339e-01 4.56 -8.273411885e-01 -8.273411885e-01 4.58 -8.056179141e-01 -8.056179141e-01 4.60 -7.843522447e-01 -7.843522447e-01 4.62 -7.635410930e-01 -7.635410930e-01 4.64 -7.431808818e-01 -7.431808818e-01 4.66 -7.232675008e-01 -7.232675008e-01 4.68 -7.037962848e-01 -7.037962848e-01 4.70 -6.847620110e-01 -6.847620110e-01 4.72 -6.661589128e-01 -6.661589128e-01 4.74 -6.479807058e-01 -6.479807058e-01 4.76 -6.302206214e-01 -6.302206214e-01 4.78 -6.128714470e-01 -6.128714470e-01 4.80 -5.959211435e-01 -5.959211435e-01 4.82 -5.793713147e-01 -5.793713147e-01 4.84 -5.632083854e-01 -5.632083854e-01 4.86 -5.474238009e-01 -5.474238009e-01 4.88 -5.320087604e-01 -5.320087604e-01 4.90 -5.169542561e-01 -5.169542561e-01 4.92 -5.022511131e-01 -5.022511131e-01 4.94 -4.878900332e-01 -4.878900332e-01 4.96 -4.738616434e-01 -4.738616434e-01 4.98 -4.601565519e-01 -4.601565519e-01 5.00 -4.467654113e-01 -4.467654113e-01 5.02 -4.336789925e-01 -4.336789925e-01 5.04 -4.208882662e-01 -4.208882662e-01 5.06 -4.083844937e-01 -4.083844937e-01 5.08 -3.961593228e-01 -3.961593228e-01 5.10 -3.842048883e-01 -3.842048883e-01 5.12 -3.725139088e-01 -3.725139088e-01 5.14 -3.610797793e-01 -3.610797793e-01 5.16 -3.498966494e-01 -3.498966494e-01 5.18 -3.389594837e-01 -3.389594837e-01 5.20 -3.282640985e-01 -3.282640985e-01 5.22 -3.178071708e-01 -3.178071708e-01 5.24 -3.075862178e-01 -3.075862178e-01 5.26 -2.975995494e-01 -2.975995494e-01 5.28 -2.878461954e-01 -2.878461954e-01 5.30 -2.783258159e-01 -2.783258159e-01 5.32 -2.690385998e-01 -2.690385998e-01 5.34 -2.599851589e-01 -2.599851589e-01 5.36 -2.511664210e-01 -2.511664210e-01 5.38 -2.425835236e-01 -2.425835236e-01 5.40 -2.342377041e-01 -2.342377041e-01 5.42 -2.261301813e-01 -2.261301813e-01 5.44 -2.182620201e-01 -2.182620201e-01 5.46 -2.106339766e-01 -2.106339766e-01 5.48 -2.032463199e-01 -2.032463199e-01 5.50 -1.960986390e-01 -1.960986390e-01 5.52 -1.891896453e-01 -1.891896453e-01 5.54 -1.825169888e-01 -1.825169888e-01 5.56 -1.760771081e-01 -1.760771081e-01 5.58 -1.698651313e-01 -1.698651313e-01 5.60 -1.638748431e-01 -1.638748431e-01 5.62 -1.580987210e-01 -1.580987210e-01 5.64 -1.525280409e-01 -1.525280409e-01 5.66 -1.471530412e-01 -1.471530412e-01 5.68 -1.419631293e-01 -1.419631293e-01 5.70 -1.369471160e-01 -1.369471160e-01 5.72 -1.320934571e-01 -1.320934571e-01 5.74 -1.273904911e-01 -1.273904911e-01 5.76 -1.228266589e-01 -1.228266589e-01 5.78 -1.183907003e-01 -1.183907003e-01 5.80 -1.140718235e-01 -1.140718235e-01 5.82 -1.098598467e-01 -1.098598467e-01 5.84 -1.057453139e-01 -1.057453139e-01 5.86 -1.017195870e-01 -1.017195870e-01 5.88 -9.777491813e-02 -9.777491813e-02 5.90 -9.390450336e-02 -9.390450336e-02 5.92 -9.010252114e-02 -9.010252114e-02 5.94 -8.636415556e-02 -8.636415556e-02 5.96 -8.268560579e-02 -8.268560579e-02 5.98 -7.906408078e-02 -7.906408078e-02 6.00 -7.549777782e-02 -7.549777782e-02