# 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 = Ag2AuFe # 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 2.761439390e+02 2.761439390e+02 1.30 2.547560656e+02 2.547560656e+02 1.32 2.350314488e+02 2.350314488e+02 1.34 2.168328159e+02 2.168328159e+02 1.36 2.000339695e+02 2.000339695e+02 1.38 1.845197218e+02 1.845197218e+02 1.40 1.701851426e+02 1.701851426e+02 1.42 1.569344739e+02 1.569344739e+02 1.44 1.446802352e+02 1.446802352e+02 1.46 1.333426950e+02 1.333426950e+02 1.48 1.228495288e+02 1.228495288e+02 1.50 1.131352963e+02 1.131352963e+02 1.52 1.041405368e+02 1.041405368e+02 1.54 9.581070043e+01 9.581070043e+01 1.56 8.809530813e+01 8.809530813e+01 1.58 8.094752398e+01 8.094752398e+01 1.60 7.432403887e+01 7.432403887e+01 1.62 6.818503716e+01 6.818503716e+01 1.64 6.249582356e+01 6.249582356e+01 1.66 5.723535088e+01 5.723535088e+01 1.68 5.237392876e+01 5.237392876e+01 1.70 4.788420497e+01 4.788420497e+01 1.72 4.373884210e+01 4.373884210e+01 1.74 3.991163534e+01 3.991163534e+01 1.76 3.637830883e+01 3.637830883e+01 1.78 3.311642641e+01 3.311642641e+01 1.80 3.010529668e+01 3.010529668e+01 1.82 2.732588053e+01 2.732588053e+01 1.84 2.476069597e+01 2.476069597e+01 1.86 2.239369987e+01 2.239369987e+01 1.88 2.021013419e+01 2.021013419e+01 1.90 1.819634884e+01 1.819634884e+01 1.92 1.633963236e+01 1.633963236e+01 1.94 1.462808565e+01 1.462808565e+01 1.96 1.305055831e+01 1.305055831e+01 1.98 1.159663955e+01 1.159663955e+01 2.00 1.025667371e+01 1.025667371e+01 2.02 9.021770271e+00 9.021770271e+00 2.04 7.883793424e+00 7.883793424e+00 2.06 6.835328961e+00 6.835328961e+00 2.08 5.869631414e+00 5.869631414e+00 2.10 4.980557057e+00 4.980557057e+00 2.12 4.162490651e+00 4.162490651e+00 2.14 3.410274654e+00 3.410274654e+00 2.16 2.719148394e+00 2.719148394e+00 2.18 2.084701678e+00 2.084701678e+00 2.20 1.502843406e+00 1.502843406e+00 2.22 9.697816515e-01 9.697816515e-01 2.24 4.820094222e-01 4.820094222e-01 2.26 3.629079275e-02 3.629079275e-02 2.28 -3.703553976e-01 -3.703553976e-01 2.30 -7.406745297e-01 -7.406745297e-01 2.32 -1.077196919e+00 -1.077196919e+00 2.34 -1.382259091e+00 -1.382259091e+00 2.36 -1.658024779e+00 -1.658024779e+00 2.38 -1.906505013e+00 -1.906505013e+00 2.40 -2.129576892e+00 -2.129576892e+00 2.42 -2.329000859e+00 -2.329000859e+00 2.44 -2.506436421e+00 -2.506436421e+00 2.46 -2.663456152e+00 -2.663456152e+00 2.48 -2.801557607e+00 -2.801557607e+00 2.50 -2.922172722e+00 -2.922172722e+00 2.52 -3.026674699e+00 -3.026674699e+00 2.54 -3.116382906e+00 -3.116382906e+00 2.56 -3.192637813e+00 -3.192637813e+00 2.58 -3.256649459e+00 -3.256649459e+00 2.60 -3.309477621e+00 -3.309477621e+00 2.62 -3.352146792e+00 -3.352146792e+00 2.64 -3.385617860e+00 -3.385617860e+00 2.66 -3.410774861e+00 -3.410774861e+00 2.68 -3.428406809e+00 -3.428406809e+00 2.70 -3.439194689e+00 -3.439194689e+00 2.72 -3.443708369e+00 -3.443708369e+00 2.74 -3.442431415e+00 -3.442431415e+00 2.76 -3.435770581e+00 -3.435770581e+00 2.78 -3.424184946e+00 -3.424184946e+00 2.80 -3.407846049e+00 -3.407846049e+00 2.82 -3.386769831e+00 -3.386769831e+00 2.84 -3.361045722e+00 -3.361045722e+00 2.86 -3.330823859e+00 -3.330823859e+00 2.88 -3.296301993e+00 -3.296301993e+00 2.90 -3.257712923e+00 -3.257712923e+00 2.92 -3.215314419e+00 -3.215314419e+00 2.94 -3.169393920e+00 -3.169393920e+00 2.96 -3.120258200e+00 -3.120258200e+00 2.98 -3.068218014e+00 -3.068218014e+00 3.00 -3.013588032e+00 -3.013588032e+00 3.02 -2.956687387e+00 -2.956687387e+00 3.04 -2.897838763e+00 -2.897838763e+00 3.06 -2.837364758e+00 -2.837364758e+00 3.08 -2.775581271e+00 -2.775581271e+00 3.10 -2.712788997e+00 -2.712788997e+00 3.12 -2.649265039e+00 -2.649265039e+00 3.14 -2.585256970e+00 -2.585256970e+00 3.16 -2.520980939e+00 -2.520980939e+00 3.18 -2.456624225e+00 -2.456624225e+00 3.20 -2.392351256e+00 -2.392351256e+00 3.22 -2.328311316e+00 -2.328311316e+00 3.24 -2.264645950e+00 -2.264645950e+00 3.26 -2.201494492e+00 -2.201494492e+00 3.28 -2.138996834e+00 -2.138996834e+00 3.30 -2.077293276e+00 -2.077293276e+00 3.32 -2.016521950e+00 -2.016521950e+00 3.34 -1.956814645e+00 -1.956814645e+00 3.36 -1.898292039e+00 -1.898292039e+00 3.38 -1.841059264e+00 -1.841059264e+00 3.40 -1.785202504e+00 -1.785202504e+00 3.42 -1.730787043e+00 -1.730787043e+00 3.44 -1.677856836e+00 -1.677856836e+00 3.46 -1.626435488e+00 -1.626435488e+00 3.48 -1.576528273e+00 -1.576528273e+00 3.50 -1.528124846e+00 -1.528124846e+00 3.52 -1.481202224e+00 -1.481202224e+00 3.54 -1.435727761e+00 -1.435727761e+00 3.56 -1.391661850e+00 -1.391661850e+00 3.58 -1.348960250e+00 -1.348960250e+00 3.60 -1.307575963e+00 -1.307575963e+00 3.62 -1.267460671e+00 -1.267460671e+00 3.64 -1.228565792e+00 -1.228565792e+00 3.66 -1.190843196e+00 -1.190843196e+00 3.68 -1.154245680e+00 -1.154245680e+00 3.70 -1.118727263e+00 -1.118727263e+00 3.72 -1.084243356e+00 -1.084243356e+00 3.74 -1.050750870e+00 -1.050750870e+00 3.76 -1.018208297e+00 -1.018208297e+00 3.78 -9.865757710e-01 -9.865757710e-01 3.80 -9.558151344e-01 -9.558151344e-01 3.82 -9.258899975e-01 -9.258899975e-01 3.84 -8.967657858e-01 -8.967657858e-01 3.86 -8.684097594e-01 -8.684097594e-01 3.88 -8.407909940e-01 -8.407909940e-01 3.90 -8.138803134e-01 -8.138803134e-01 3.92 -7.876501726e-01 -7.876501726e-01 3.94 -7.620745033e-01 -7.620745033e-01 3.96 -7.371285227e-01 -7.371285227e-01 3.98 -7.127885496e-01 -7.127885496e-01 4.00 -6.890318371e-01 -6.890318371e-01 4.02 -6.658364602e-01 -6.658364602e-01 4.04 -6.431812826e-01 -6.431812826e-01 4.06 -6.210460284e-01 -6.210460284e-01 4.08 -5.994114757e-01 -5.994114757e-01 4.10 -5.782597774e-01 -5.782597774e-01 4.12 -5.575749239e-01 -5.575749239e-01 4.14 -5.373432819e-01 -5.373432819e-01 4.16 -5.175542383e-01 -5.175542383e-01 4.18 -4.982008431e-01 -4.982008431e-01 4.20 -4.792803973e-01 -4.792803973e-01 4.22 -4.607948890e-01 -4.607948890e-01 4.24 -4.427511813e-01 -4.427511813e-01 4.26 -4.251608558e-01 -4.251608558e-01 4.28 -4.080396437e-01 -4.080396437e-01 4.30 -3.914064173e-01 -3.914064173e-01 4.32 -3.752817753e-01 -3.752817753e-01 4.34 -3.596863198e-01 -3.596863198e-01 4.36 -3.446387843e-01 -3.446387843e-01 4.38 -3.301542063e-01 -3.301542063e-01 4.40 -3.162423451e-01 -3.162423451e-01 4.42 -3.029065126e-01 -3.029065126e-01 4.44 -2.901429239e-01 -2.901429239e-01 4.46 -2.779405994e-01 -2.779405994e-01 4.48 -2.662817717e-01 -2.662817717e-01 4.50 -2.551426981e-01 -2.551426981e-01 4.52 -2.444947425e-01 -2.444947425e-01 4.54 -2.343055892e-01 -2.343055892e-01 4.56 -2.245404657e-01 -2.245404657e-01 4.58 -2.151632828e-01 -2.151632828e-01 4.60 -2.061376350e-01 -2.061376350e-01 4.62 -1.974276387e-01 -1.974276387e-01 4.64 -1.889986083e-01 -1.889986083e-01 4.66 -1.808175945e-01 -1.808175945e-01 4.68 -1.728538119e-01 -1.728538119e-01 4.70 -1.650789935e-01 -1.650789935e-01 4.72 -1.574677015e-01 -1.574677015e-01 4.74 -1.499976216e-01 -1.499976216e-01 4.76 -1.426498587e-01 -1.426498587e-01 4.78 -1.354092388e-01 -1.354092388e-01 4.80 -1.282646127e-01 -1.282646127e-01 4.82 -1.212091548e-01 -1.212091548e-01 4.84 -1.142406016e-01 -1.142406016e-01 4.86 -1.073614303e-01 -1.073614303e-01 4.88 -1.005789052e-01 -1.005789052e-01 4.90 -9.390495848e-02 -9.390495848e-02 4.92 -8.735586548e-02 -8.735586548e-02 4.94 -8.095168697e-02 -8.095168697e-02 4.96 -7.471547393e-02 -7.471547393e-02 4.98 -6.867225224e-02 -6.867225224e-02 5.00 -6.284783806e-02 -6.284783806e-02 5.02 -5.726755807e-02 -5.726755807e-02 5.04 -5.195496529e-02 -5.195496529e-02 5.06 -4.693065118e-02 -4.693065118e-02 5.08 -4.221124815e-02 -4.221124815e-02 5.10 -3.780846854e-02 -3.780846854e-02 5.12 -3.372898052e-02 -3.372898052e-02 5.14 -2.997462318e-02 -2.997462318e-02 5.16 -2.654213533e-02 -2.654213533e-02 5.18 -2.342361980e-02 -2.342361980e-02 5.20 -2.060699358e-02 -2.060699358e-02 5.22 -1.807683009e-02 -1.807683009e-02 5.24 -1.581598170e-02 -1.581598170e-02 5.26 -1.380557247e-02 -1.380557247e-02 5.28 -1.202573291e-02 -1.202573291e-02 5.30 -1.045627505e-02 -1.045627505e-02 5.32 -9.077247199e-03 -9.077247199e-03 5.34 -7.869366255e-03 -7.869366255e-03 5.36 -6.814334132e-03 -6.814334132e-03 5.38 -5.895051269e-03 -5.895051269e-03 5.40 -5.095742885e-03 -5.095742885e-03 5.42 -4.402014646e-03 -4.402014646e-03 5.44 -3.800853671e-03 -3.800853671e-03 5.46 -3.280589222e-03 -3.280589222e-03 5.48 -2.830825327e-03 -2.830825327e-03 5.50 -2.442355397e-03 -2.442355397e-03 5.52 -2.107066755e-03 -2.107066755e-03 5.54 -1.817841115e-03 -1.817841115e-03 5.56 -1.568455418e-03 -1.568455418e-03 5.58 -1.353486104e-03 -1.353486104e-03 5.60 -1.168218825e-03 -1.168218825e-03 5.62 -1.008564813e-03 -1.008564813e-03 5.64 -8.709844897e-04 -8.709844897e-04 5.66 -7.524184762e-04 -7.524184762e-04 5.68 -6.502258520e-04 -6.502258520e-04 5.70 -5.621293204e-04 -5.621293204e-04 5.72 -4.861668066e-04 -4.861668066e-04 5.74 -4.206489547e-04 -4.206489547e-04 5.76 -3.641219653e-04 -3.641219653e-04 5.78 -3.153352197e-04 -3.153352197e-04 5.80 -2.732131592e-04 -2.732131592e-04 5.82 -2.368309207e-04 -2.368309207e-04 5.84 -2.053932709e-04 -2.053932709e-04 5.86 -1.782164250e-04 -1.782164250e-04 5.88 -1.547123764e-04 -1.547123764e-04 5.90 -1.343754058e-04 -1.343754058e-04 5.92 -1.167704795e-04 -1.167704795e-04 5.94 -1.015232772e-04 -1.015232772e-04 5.96 -8.831162729e-05 -8.831162729e-05 5.98 -7.685815328e-05 -7.685815328e-05 6.00 -6.692396228e-05 -6.692396228e-05