# 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 = AgFeMo2 # 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 2.787859590e+02 2.787859590e+02 1.30 2.570074296e+02 2.570074296e+02 1.32 2.369381260e+02 2.369381260e+02 1.34 2.184267356e+02 2.184267356e+02 1.36 2.013344506e+02 2.013344506e+02 1.38 1.855359582e+02 1.855359582e+02 1.40 1.709200685e+02 1.709200685e+02 1.42 1.573893201e+02 1.573893201e+02 1.44 1.448584964e+02 1.448584964e+02 1.46 1.332525273e+02 1.332525273e+02 1.48 1.225044527e+02 1.225044527e+02 1.50 1.125538223e+02 1.125538223e+02 1.52 1.033454765e+02 1.033454765e+02 1.54 9.482854321e+01 9.482854321e+01 1.56 8.695561923e+01 8.695561923e+01 1.58 7.968216549e+01 7.968216549e+01 1.60 7.296608440e+01 7.296608440e+01 1.62 6.676740585e+01 6.676740585e+01 1.64 6.104804134e+01 6.104804134e+01 1.66 5.577161763e+01 5.577161763e+01 1.68 5.090342329e+01 5.090342329e+01 1.70 4.641047866e+01 4.641047866e+01 1.72 4.226179223e+01 4.226179223e+01 1.74 3.843266520e+01 3.843266520e+01 1.76 3.489814544e+01 3.489814544e+01 1.78 3.163437692e+01 3.163437692e+01 1.80 2.861914965e+01 2.861914965e+01 1.82 2.583206049e+01 2.583206049e+01 1.84 2.325516437e+01 2.325516437e+01 1.86 2.087284168e+01 2.087284168e+01 1.88 1.867150332e+01 1.867150332e+01 1.90 1.663916616e+01 1.663916616e+01 1.92 1.476498438e+01 1.476498438e+01 1.94 1.303883536e+01 1.303883536e+01 1.96 1.145102872e+01 1.145102872e+01 1.98 9.992154053e+00 9.992154053e+00 2.00 8.653038421e+00 8.653038421e+00 2.02 7.424766015e+00 7.424766015e+00 2.04 6.298718750e+00 6.298718750e+00 2.06 5.266615185e+00 5.266615185e+00 2.08 4.320544842e+00 4.320544842e+00 2.10 3.453008007e+00 3.453008007e+00 2.12 2.656971441e+00 2.656971441e+00 2.14 1.925939091e+00 1.925939091e+00 2.16 1.254022364e+00 1.254022364e+00 2.18 6.359874956e-01 6.359874956e-01 2.20 6.726210644e-02 6.726210644e-02 2.22 -4.561040075e-01 -4.561040075e-01 2.24 -9.375150799e-01 -9.375150799e-01 2.26 -1.379925426e+00 -1.379925426e+00 2.28 -1.785937209e+00 -1.785937209e+00 2.30 -2.157886350e+00 -2.157886350e+00 2.32 -2.497909777e+00 -2.497909777e+00 2.34 -2.807992998e+00 -2.807992998e+00 2.36 -3.090000655e+00 -3.090000655e+00 2.38 -3.345694138e+00 -3.345694138e+00 2.40 -3.576740365e+00 -3.576740365e+00 2.42 -3.784715261e+00 -3.784715261e+00 2.44 -3.970909155e+00 -3.970909155e+00 2.46 -4.136680483e+00 -4.136680483e+00 2.48 -4.283640993e+00 -4.283640993e+00 2.50 -4.413257514e+00 -4.413257514e+00 2.52 -4.526863232e+00 -4.526863232e+00 2.54 -4.625669383e+00 -4.625669383e+00 2.56 -4.710776220e+00 -4.710776220e+00 2.58 -4.783177159e+00 -4.783177159e+00 2.60 -4.843503107e+00 -4.843503107e+00 2.62 -4.891997021e+00 -4.891997021e+00 2.64 -4.928909668e+00 -4.928909668e+00 2.66 -4.954515765e+00 -4.954515765e+00 2.68 -4.969102113e+00 -4.969102113e+00 2.70 -4.972959518e+00 -4.972959518e+00 2.72 -4.966379265e+00 -4.966379265e+00 2.74 -4.949653948e+00 -4.949653948e+00 2.76 -4.923081786e+00 -4.923081786e+00 2.78 -4.886973548e+00 -4.886973548e+00 2.80 -4.841661534e+00 -4.841661534e+00 2.82 -4.787513056e+00 -4.787513056e+00 2.84 -4.724937010e+00 -4.724937010e+00 2.86 -4.654397061e+00 -4.654397061e+00 2.88 -4.576428284e+00 -4.576428284e+00 2.90 -4.491646490e+00 -4.491646490e+00 2.92 -4.400752314e+00 -4.400752314e+00 2.94 -4.304583996e+00 -4.304583996e+00 2.96 -4.204043176e+00 -4.204043176e+00 2.98 -4.099895756e+00 -4.099895756e+00 3.00 -3.992884714e+00 -3.992884714e+00 3.02 -3.883686668e+00 -3.883686668e+00 3.04 -3.772951152e+00 -3.772951152e+00 3.06 -3.661265951e+00 -3.661265951e+00 3.08 -3.549126285e+00 -3.549126285e+00 3.10 -3.436923670e+00 -3.436923670e+00 3.12 -3.324936871e+00 -3.324936871e+00 3.14 -3.213330386e+00 -3.213330386e+00 3.16 -3.102170660e+00 -3.102170660e+00 3.18 -2.991449095e+00 -2.991449095e+00 3.20 -2.881108238e+00 -2.881108238e+00 3.22 -2.771068073e+00 -2.771068073e+00 3.24 -2.661250139e+00 -2.661250139e+00 3.26 -2.551598089e+00 -2.551598089e+00 3.28 -2.442094203e+00 -2.442094203e+00 3.30 -2.332772005e+00 -2.332772005e+00 3.32 -2.223725431e+00 -2.223725431e+00 3.34 -2.115114995e+00 -2.115114995e+00 3.36 -2.007171067e+00 -2.007171067e+00 3.38 -1.900193967e+00 -1.900193967e+00 3.40 -1.794550191e+00 -1.794550191e+00 3.42 -1.690664015e+00 -1.690664015e+00 3.44 -1.589003942e+00 -1.589003942e+00 3.46 -1.490064154e+00 -1.490064154e+00 3.48 -1.394341920e+00 -1.394341920e+00 3.50 -1.302312841e+00 -1.302312841e+00 3.52 -1.214406316e+00 -1.214406316e+00 3.54 -1.130983841e+00 -1.130983841e+00 3.56 -1.052322339e+00 -1.052322339e+00 3.58 -9.786040028e-01 -9.786040028e-01 3.60 -9.099131764e-01 -9.099131764e-01 3.62 -8.462398494e-01 -8.462398494e-01 3.64 -7.874886064e-01 -7.874886064e-01 3.66 -7.334914346e-01 -7.334914346e-01 3.68 -6.840226717e-01 -6.840226717e-01 3.70 -6.388145169e-01 -6.388145169e-01 3.72 -5.975718359e-01 -5.975718359e-01 3.74 -5.599853734e-01 -5.599853734e-01 3.76 -5.257428627e-01 -5.257428627e-01 3.78 -4.945378447e-01 -4.945378447e-01 3.80 -4.660762474e-01 -4.660762474e-01 3.82 -4.400809382e-01 -4.400809382e-01 3.84 -4.162945476e-01 -4.162945476e-01 3.86 -3.944808932e-01 -3.944808932e-01 3.88 -3.744253248e-01 -3.744253248e-01 3.90 -3.559342815e-01 -3.559342815e-01 3.92 -3.388343058e-01 -3.388343058e-01 3.94 -3.229707189e-01 -3.229707189e-01 3.96 -3.082061063e-01 -3.082061063e-01 3.98 -2.944187414e-01 -2.944187414e-01 4.00 -2.815010205e-01 -2.815010205e-01 4.02 -2.693579798e-01 -2.693579798e-01 4.04 -2.579059260e-01 -2.579059260e-01 4.06 -2.470710774e-01 -2.470710774e-01 4.08 -2.367885852e-01 -2.367885852e-01 4.10 -2.270020202e-01 -2.270020202e-01 4.12 -2.176621024e-01 -2.176621024e-01 4.14 -2.087260959e-01 -2.087260959e-01 4.16 -2.001573369e-01 -2.001573369e-01 4.18 -1.919248333e-01 -1.919248333e-01 4.20 -1.840029184e-01 -1.840029184e-01 4.22 -1.763709235e-01 -1.763709235e-01 4.24 -1.690128291e-01 -1.690128291e-01 4.26 -1.619168547e-01 -1.619168547e-01 4.28 -1.550749531e-01 -1.550749531e-01 4.30 -1.484821895e-01 -1.484821895e-01 4.32 -1.421360064e-01 -1.421360064e-01 4.34 -1.360353980e-01 -1.360353980e-01 4.36 -1.301800426e-01 -1.301800426e-01 4.38 -1.245694572e-01 -1.245694572e-01 4.40 -1.192022436e-01 -1.192022436e-01 4.42 -1.140754940e-01 -1.140754940e-01 4.44 -1.091843946e-01 -1.091843946e-01 4.46 -1.045220401e-01 -1.045220401e-01 4.48 -1.000791365e-01 -1.000791365e-01 4.50 -9.584492524e-02 -9.584492524e-02 4.52 -9.180728258e-02 -9.180728258e-02 4.54 -8.795280899e-02 -8.795280899e-02 4.56 -8.426727825e-02 -8.426727825e-02 4.58 -8.073606003e-02 -8.073606003e-02 4.60 -7.734449168e-02 -7.734449168e-02 4.62 -7.407818808e-02 -7.407818808e-02 4.64 -7.092328949e-02 -7.092328949e-02 4.66 -6.786665478e-02 -6.786665478e-02 4.68 -6.489601184e-02 -6.489601184e-02 4.70 -6.200007825e-02 -6.200007825e-02 4.72 -5.916866494e-02 -5.916866494e-02 4.74 -5.639277332e-02 -5.639277332e-02 4.76 -5.366469338e-02 -5.366469338e-02 4.78 -5.097810581e-02 -5.097810581e-02 4.80 -4.832818801e-02 -4.832818801e-02 4.82 -4.571172352e-02 -4.571172352e-02 4.84 -4.312719172e-02 -4.312719172e-02 4.86 -4.057484147e-02 -4.057484147e-02 4.88 -3.805672204e-02 -3.805672204e-02 4.90 -3.557665832e-02 -3.557665832e-02 4.92 -3.314015469e-02 -3.314015469e-02 4.94 -3.075421206e-02 -3.075421206e-02 4.96 -2.842705590e-02 -2.842705590e-02 4.98 -2.616778564e-02 -2.616778564e-02 5.00 -2.398595024e-02 -2.398595024e-02 5.02 -2.189107835e-02 -2.189107835e-02 5.04 -1.989219568e-02 -1.989219568e-02 5.06 -1.799736685e-02 -1.799736685e-02 5.08 -1.621317436e-02 -1.621317436e-02 5.10 -1.454444261e-02 -1.454444261e-02 5.12 -1.299452335e-02 -1.299452335e-02 5.14 -1.156479800e-02 -1.156479800e-02 5.16 -1.025470356e-02 -1.025470356e-02 5.18 -9.061881327e-03 -9.061881327e-03 5.20 -7.982403564e-03 -7.982403564e-03 5.22 -7.011050571e-03 -7.011050571e-03 5.24 -6.141611218e-03 -6.141611218e-03 5.26 -5.367182935e-03 -5.367182935e-03 5.28 -4.680452381e-03 -4.680452381e-03 5.30 -4.073943724e-03 -4.073943724e-03 5.32 -3.540227075e-03 -3.540227075e-03 5.34 -3.072084461e-03 -3.072084461e-03 5.36 -2.662634384e-03 -2.662634384e-03 5.38 -2.305418585e-03 -2.305418585e-03 5.40 -1.994456078e-03 -1.994456078e-03 5.42 -1.724270168e-03 -1.724270168e-03 5.44 -1.489894128e-03 -1.489894128e-03 5.46 -1.286860812e-03 -1.286860812e-03 5.48 -1.111180797e-03 -1.111180797e-03 5.50 -9.593128990e-04 -9.593128990e-04 5.52 -8.281301763e-04 -8.281301763e-04 5.54 -7.148837837e-04 -7.148837837e-04 5.56 -6.171664771e-04 -6.171664771e-04 5.58 -5.328770265e-04 -5.328770265e-04 5.60 -4.601863942e-04 -4.601863942e-04 5.62 -3.975062098e-04 -3.975062098e-04 5.64 -3.434598291e-04 -3.434598291e-04 5.66 -2.968560847e-04 -2.968560847e-04 5.68 -2.566657112e-04 -2.566657112e-04 5.70 -2.220003428e-04 -2.220003428e-04 5.72 -1.920939247e-04 -1.920939247e-04 5.74 -1.662863527e-04 -1.662863527e-04 5.76 -1.440091391e-04 -1.440091391e-04 5.78 -1.247729025e-04 -1.247729025e-04 5.80 -1.081564840e-04 -1.081564840e-04 5.82 -9.379750368e-05 -9.379750368e-05 5.84 -8.138418566e-05 -8.138418566e-05 5.86 -7.064829347e-05 -7.064829347e-05 5.88 -6.135903484e-05 -6.135903484e-05 5.90 -5.331780945e-05 -5.331780945e-05 5.92 -4.635368745e-05 -4.635368745e-05 5.94 -4.031952035e-05 -4.031952035e-05 5.96 -3.508859795e-05 -3.508859795e-05 5.98 -3.055177603e-05 -3.055177603e-05 6.00 -2.661500937e-05 -2.661500937e-05