# 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 = AgAu2Ti # 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 3.352794356e+02 3.352794356e+02 1.30 3.110622360e+02 3.110622360e+02 1.32 2.886284283e+02 2.886284283e+02 1.34 2.678364813e+02 2.678364813e+02 1.36 2.485562372e+02 2.485562372e+02 1.38 2.306679139e+02 2.306679139e+02 1.40 2.140621546e+02 2.140621546e+02 1.42 1.986397256e+02 1.986397256e+02 1.44 1.843105112e+02 1.843105112e+02 1.46 1.709922012e+02 1.709922012e+02 1.48 1.586091806e+02 1.586091806e+02 1.50 1.470918467e+02 1.470918467e+02 1.52 1.363761732e+02 1.363761732e+02 1.54 1.264032277e+02 1.264032277e+02 1.56 1.171185261e+02 1.171185261e+02 1.58 1.084713633e+02 1.084713633e+02 1.60 1.004144026e+02 1.004144026e+02 1.62 9.290362167e+01 9.290362167e+01 1.64 8.589841837e+01 8.589841837e+01 1.66 7.936164095e+01 7.936164095e+01 1.68 7.325948115e+01 7.325948115e+01 1.70 6.756125478e+01 6.756125478e+01 1.72 6.223905778e+01 6.223905778e+01 1.74 5.726730582e+01 5.726730582e+01 1.76 5.262356610e+01 5.262356610e+01 1.78 4.830518876e+01 4.830518876e+01 1.80 4.429616471e+01 4.429616471e+01 1.82 4.057523689e+01 4.057523689e+01 1.84 3.712162903e+01 3.712162903e+01 1.86 3.391613132e+01 3.391613132e+01 1.88 3.094114969e+01 3.094114969e+01 1.90 2.818064951e+01 2.818064951e+01 1.92 2.562001431e+01 2.562001431e+01 1.94 2.324582214e+01 2.324582214e+01 1.96 2.104558014e+01 2.104558014e+01 1.98 1.900749131e+01 1.900749131e+01 2.00 1.712032406e+01 1.712032406e+01 2.02 1.537339465e+01 1.537339465e+01 2.04 1.375661294e+01 1.375661294e+01 2.06 1.226053320e+01 1.226053320e+01 2.08 1.087638223e+01 1.087638223e+01 2.10 9.596060969e+00 9.596060969e+00 2.12 8.412121006e+00 8.412121006e+00 2.14 7.317718634e+00 7.317718634e+00 2.16 6.306554162e+00 6.306554162e+00 2.18 5.372808227e+00 5.372808227e+00 2.20 4.511085562e+00 4.511085562e+00 2.22 3.716371292e+00 3.716371292e+00 2.24 2.984001003e+00 2.984001003e+00 2.26 2.309642130e+00 2.309642130e+00 2.28 1.689281193e+00 1.689281193e+00 2.30 1.119209901e+00 1.119209901e+00 2.32 5.960037209e-01 5.960037209e-01 2.34 1.164928501e-01 1.164928501e-01 2.36 -3.222689293e-01 -3.222689293e-01 2.38 -7.230314820e-01 -7.230314820e-01 2.40 -1.088369057e+00 -1.088369057e+00 2.42 -1.420696166e+00 -1.420696166e+00 2.44 -1.722281281e+00 -1.722281281e+00 2.46 -1.995260414e+00 -1.995260414e+00 2.48 -2.241650647e+00 -2.241650647e+00 2.50 -2.463362800e+00 -2.463362800e+00 2.52 -2.662212064e+00 -2.662212064e+00 2.54 -2.839925836e+00 -2.839925836e+00 2.56 -2.998148569e+00 -2.998148569e+00 2.58 -3.138443445e+00 -3.138443445e+00 2.60 -3.262293469e+00 -3.262293469e+00 2.62 -3.371145233e+00 -3.371145233e+00 2.64 -3.466249999e+00 -3.466249999e+00 2.66 -3.548724896e+00 -3.548724896e+00 2.68 -3.619585918e+00 -3.619585918e+00 2.70 -3.679744396e+00 -3.679744396e+00 2.72 -3.730012079e+00 -3.730012079e+00 2.74 -3.771112798e+00 -3.771112798e+00 2.76 -3.803758382e+00 -3.803758382e+00 2.78 -3.828532122e+00 -3.828532122e+00 2.80 -3.845717569e+00 -3.845717569e+00 2.82 -3.855617421e+00 -3.855617421e+00 2.84 -3.858558184e+00 -3.858558184e+00 2.86 -3.854884206e+00 -3.854884206e+00 2.88 -3.844952816e+00 -3.844952816e+00 2.90 -3.829130706e+00 -3.829130706e+00 2.92 -3.807791078e+00 -3.807791078e+00 2.94 -3.781303167e+00 -3.781303167e+00 2.96 -3.750078662e+00 -3.750078662e+00 2.98 -3.714567575e+00 -3.714567575e+00 3.00 -3.675075438e+00 -3.675075438e+00 3.02 -3.631938943e+00 -3.631938943e+00 3.04 -3.585530222e+00 -3.585530222e+00 3.06 -3.536244918e+00 -3.536244918e+00 3.08 -3.484485315e+00 -3.484485315e+00 3.10 -3.430641728e+00 -3.430641728e+00 3.12 -3.375075912e+00 -3.375075912e+00 3.14 -3.318114159e+00 -3.318114159e+00 3.16 -3.260036967e+00 -3.260036967e+00 3.18 -3.201075543e+00 -3.201075543e+00 3.20 -3.141417111e+00 -3.141417111e+00 3.22 -3.081212826e+00 -3.081212826e+00 3.24 -3.020586294e+00 -3.020586294e+00 3.26 -2.959641380e+00 -2.959641380e+00 3.28 -2.898468620e+00 -2.898468620e+00 3.30 -2.837150072e+00 -2.837150072e+00 3.32 -2.775762765e+00 -2.775762765e+00 3.34 -2.714381016e+00 -2.714381016e+00 3.36 -2.653077926e+00 -2.653077926e+00 3.38 -2.591926331e+00 -2.591926331e+00 3.40 -2.530999421e+00 -2.530999421e+00 3.42 -2.470371271e+00 -2.470371271e+00 3.44 -2.410117177e+00 -2.410117177e+00 3.46 -2.350314096e+00 -2.350314096e+00 3.48 -2.291040887e+00 -2.291040887e+00 3.50 -2.232378250e+00 -2.232378250e+00 3.52 -2.174408100e+00 -2.174408100e+00 3.54 -2.117212156e+00 -2.117212156e+00 3.56 -2.060869658e+00 -2.060869658e+00 3.58 -2.005454397e+00 -2.005454397e+00 3.60 -1.951031470e+00 -1.951031470e+00 3.62 -1.897654369e+00 -1.897654369e+00 3.64 -1.845362978e+00 -1.845362978e+00 3.66 -1.794182825e+00 -1.794182825e+00 3.68 -1.744125626e+00 -1.744125626e+00 3.70 -1.695190868e+00 -1.695190868e+00 3.72 -1.647368027e+00 -1.647368027e+00 3.74 -1.600638996e+00 -1.600638996e+00 3.76 -1.554980401e+00 -1.554980401e+00 3.78 -1.510365598e+00 -1.510365598e+00 3.80 -1.466766301e+00 -1.466766301e+00 3.82 -1.424153806e+00 -1.424153806e+00 3.84 -1.382499895e+00 -1.382499895e+00 3.86 -1.341777436e+00 -1.341777436e+00 3.88 -1.301960753e+00 -1.301960753e+00 3.90 -1.263025798e+00 -1.263025798e+00 3.92 -1.224950145e+00 -1.224950145e+00 3.94 -1.187712966e+00 -1.187712966e+00 3.96 -1.151294691e+00 -1.151294691e+00 3.98 -1.115676859e+00 -1.115676859e+00 4.00 -1.080841840e+00 -1.080841840e+00 4.02 -1.046772614e+00 -1.046772614e+00 4.04 -1.013452636e+00 -1.013452636e+00 4.06 -9.808658022e-01 -9.808658022e-01 4.08 -9.489965601e-01 -9.489965601e-01 4.10 -9.178300955e-01 -9.178300955e-01 4.12 -8.873530019e-01 -8.873530019e-01 4.14 -8.575533864e-01 -8.575533864e-01 4.16 -8.284217782e-01 -8.284217782e-01 4.18 -7.999516899e-01 -7.999516899e-01 4.20 -7.721402021e-01 -7.721402021e-01 4.22 -7.449883986e-01 -7.449883986e-01 4.24 -7.185015499e-01 -7.185015499e-01 4.26 -6.926889539e-01 -6.926889539e-01 4.28 -6.675633664e-01 -6.675633664e-01 4.30 -6.431400041e-01 -6.431400041e-01 4.32 -6.194351613e-01 -6.194351613e-01 4.34 -5.964645453e-01 -5.964645453e-01 4.36 -5.742414944e-01 -5.742414944e-01 4.38 -5.527752699e-01 -5.527752699e-01 4.40 -5.320696147e-01 -5.320696147e-01 4.42 -5.121217324e-01 -5.121217324e-01 4.44 -4.929217766e-01 -4.929217766e-01 4.46 -4.744528686e-01 -4.744528686e-01 4.48 -4.566915853e-01 -4.566915853e-01 4.50 -4.396088128e-01 -4.396088128e-01 4.52 -4.231708337e-01 -4.231708337e-01 4.54 -4.073405144e-01 -4.073405144e-01 4.56 -3.920784817e-01 -3.920784817e-01 4.58 -3.773442077e-01 -3.773442077e-01 4.60 -3.630969547e-01 -3.630969547e-01 4.62 -3.492965668e-01 -3.492965668e-01 4.64 -3.359041135e-01 -3.359041135e-01 4.66 -3.228824132e-01 -3.228824132e-01 4.68 -3.101964664e-01 -3.101964664e-01 4.70 -2.978138349e-01 -2.978138349e-01 4.72 -2.857049979e-01 -2.857049979e-01 4.74 -2.738437109e-01 -2.738437109e-01 4.76 -2.622073804e-01 -2.622073804e-01 4.78 -2.507774621e-01 -2.507774621e-01 4.80 -2.395398278e-01 -2.395398278e-01 4.82 -2.284853444e-01 -2.284853444e-01 4.84 -2.176099526e-01 -2.176099526e-01 4.86 -2.069151290e-01 -2.069151290e-01 4.88 -1.964079570e-01 -1.964079570e-01 4.90 -1.861010488e-01 -1.861010488e-01 4.92 -1.760122152e-01 -1.760122152e-01 4.94 -1.661638473e-01 -1.661638473e-01 4.96 -1.565819956e-01 -1.565819956e-01 4.98 -1.472951676e-01 -1.472951676e-01 5.00 -1.383328957e-01 -1.383328957e-01 5.02 -1.297241659e-01 -1.297241659e-01 5.04 -1.214958211e-01 -1.214958211e-01 5.06 -1.136710680e-01 -1.136710680e-01 5.08 -1.062682110e-01 -1.062682110e-01 5.10 -9.929971538e-02 -9.929971538e-02 5.12 -9.277166261e-02 -9.277166261e-02 5.14 -8.668362042e-02 -8.668362042e-02 5.16 -8.102890300e-02 -8.102890300e-02 5.18 -7.579515683e-02 -7.579515683e-02 5.20 -7.096517172e-02 -7.096517172e-02 5.22 -6.651766691e-02 -6.651766691e-02 5.24 -6.242882168e-02 -6.242882168e-02 5.26 -5.867291251e-02 -5.867291251e-02 5.28 -5.522311969e-02 -5.522311969e-02 5.30 -5.205279886e-02 -5.205279886e-02 5.32 -4.913567332e-02 -4.913567332e-02 5.34 -4.644634221e-02 -4.644634221e-02 5.36 -4.396066887e-02 -4.396066887e-02 5.38 -4.165603532e-02 -4.165603532e-02 5.40 -3.951148775e-02 -3.951148775e-02 5.42 -3.750779765e-02 -3.750779765e-02 5.44 -3.562746173e-02 -3.562746173e-02 5.46 -3.385466039e-02 -3.385466039e-02 5.48 -3.217519172e-02 -3.217519172e-02 5.50 -3.057639415e-02 -3.057639415e-02 5.52 -2.904706799e-02 -2.904706799e-02 5.54 -2.757740308e-02 -2.757740308e-02 5.56 -2.615891695e-02 -2.615891695e-02 5.58 -2.478440513e-02 -2.478440513e-02 5.60 -2.344790408e-02 -2.344790408e-02 5.62 -2.214466346e-02 -2.214466346e-02 5.64 -2.087112344e-02 -2.087112344e-02 5.66 -1.962489068e-02 -1.962489068e-02 5.68 -1.840470557e-02 -1.840470557e-02 5.70 -1.721039262e-02 -1.721039262e-02 5.72 -1.604278644e-02 -1.604278644e-02 5.74 -1.490362696e-02 -1.490362696e-02 5.76 -1.379542063e-02 -1.379542063e-02 5.78 -1.272113831e-02 -1.272113831e-02 5.80 -1.168421569e-02 -1.168421569e-02 5.82 -1.068839161e-02 -1.068839161e-02 5.84 -9.737338489e-03 -9.737338489e-03 5.86 -8.834441243e-03 -8.834441243e-03 5.88 -7.982600343e-03 -7.982600343e-03 5.90 -7.184072903e-03 -7.184072903e-03 5.92 -6.440361633e-03 -6.440361633e-03 5.94 -5.752156558e-03 -5.752156558e-03 5.96 -5.119329041e-03 -5.119329041e-03 5.98 -4.540972776e-03 -4.540972776e-03 6.00 -4.015482813e-03 -4.015482813e-03