# 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 = AlMoTa2 # 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 2.840116415e+02 2.840116415e+02 1.30 2.636845045e+02 2.636845045e+02 1.32 2.448487433e+02 2.448487433e+02 1.34 2.273842614e+02 2.273842614e+02 1.36 2.111803225e+02 2.111803225e+02 1.38 1.961351684e+02 1.961351684e+02 1.40 1.821556811e+02 1.821556811e+02 1.42 1.691569537e+02 1.691569537e+02 1.44 1.570615402e+02 1.570615402e+02 1.46 1.457985546e+02 1.457985546e+02 1.48 1.353030390e+02 1.353030390e+02 1.50 1.255156997e+02 1.255156997e+02 1.52 1.163827726e+02 1.163827726e+02 1.54 1.078558441e+02 1.078558441e+02 1.56 9.989160555e+01 9.989160555e+01 1.58 9.245149310e+01 9.245149310e+01 1.60 8.550110945e+01 8.550110945e+01 1.62 7.900942649e+01 7.900942649e+01 1.64 7.294792863e+01 7.294792863e+01 1.66 6.728991661e+01 6.728991661e+01 1.68 6.201009664e+01 6.201009664e+01 1.70 5.708441691e+01 5.708441691e+01 1.72 5.249000821e+01 5.249000821e+01 1.74 4.820510838e+01 4.820510838e+01 1.76 4.420895969e+01 4.420895969e+01 1.78 4.048175295e+01 4.048175295e+01 1.80 3.700467963e+01 3.700467963e+01 1.82 3.376007474e+01 3.376007474e+01 1.84 3.073156563e+01 3.073156563e+01 1.86 2.790478071e+01 2.790478071e+01 1.88 2.527353827e+01 2.527353827e+01 1.90 2.282662622e+01 2.282662622e+01 1.92 2.055178044e+01 2.055178044e+01 1.94 1.843935130e+01 1.843935130e+01 1.96 1.647929311e+01 1.647929311e+01 1.98 1.466217769e+01 1.466217769e+01 2.00 1.297780050e+01 1.297780050e+01 2.02 1.141648215e+01 1.141648215e+01 2.04 9.969103698e+00 9.969103698e+00 2.06 8.627137558e+00 8.627137558e+00 2.08 7.382678114e+00 7.382678114e+00 2.10 6.228460690e+00 6.228460690e+00 2.12 5.157863225e+00 5.157863225e+00 2.14 4.164891054e+00 4.164891054e+00 2.16 3.244147148e+00 3.244147148e+00 2.18 2.390788584e+00 2.390788584e+00 2.20 1.600468242e+00 1.600468242e+00 2.22 8.692613168e-01 8.692613168e-01 2.24 1.935795574e-01 1.935795574e-01 2.26 -4.299194232e-01 -4.299194232e-01 2.28 -1.004417052e+00 -1.004417052e+00 2.30 -1.533001153e+00 -1.533001153e+00 2.32 -2.018706112e+00 -2.018706112e+00 2.34 -2.464520570e+00 -2.464520570e+00 2.36 -2.873364341e+00 -2.873364341e+00 2.38 -3.248043430e+00 -3.248043430e+00 2.40 -3.591197635e+00 -3.591197635e+00 2.42 -3.905256314e+00 -3.905256314e+00 2.44 -4.192413804e+00 -4.192413804e+00 2.46 -4.454628549e+00 -4.454628549e+00 2.48 -4.693642480e+00 -4.693642480e+00 2.50 -4.911012949e+00 -4.911012949e+00 2.52 -5.108149288e+00 -5.108149288e+00 2.54 -5.286348450e+00 -5.286348450e+00 2.56 -5.446826392e+00 -5.446826392e+00 2.58 -5.590730077e+00 -5.590730077e+00 2.60 -5.718998678e+00 -5.718998678e+00 2.62 -5.832800584e+00 -5.832800584e+00 2.64 -5.933323919e+00 -5.933323919e+00 2.66 -6.021648397e+00 -6.021648397e+00 2.68 -6.098731136e+00 -6.098731136e+00 2.70 -6.165400806e+00 -6.165400806e+00 2.72 -6.222363019e+00 -6.222363019e+00 2.74 -6.270214778e+00 -6.270214778e+00 2.76 -6.309415763e+00 -6.309415763e+00 2.78 -6.340093761e+00 -6.340093761e+00 2.80 -6.362209870e+00 -6.362209870e+00 2.82 -6.375869685e+00 -6.375869685e+00 2.84 -6.381252993e+00 -6.381252993e+00 2.86 -6.378546005e+00 -6.378546005e+00 2.88 -6.367939438e+00 -6.367939438e+00 2.90 -6.349628032e+00 -6.349628032e+00 2.92 -6.323811015e+00 -6.323811015e+00 2.94 -6.290692939e+00 -6.290692939e+00 2.96 -6.250484383e+00 -6.250484383e+00 2.98 -6.203398317e+00 -6.203398317e+00 3.00 -6.149588783e+00 -6.149588783e+00 3.02 -6.089931365e+00 -6.089931365e+00 3.04 -6.024644337e+00 -6.024644337e+00 3.06 -5.953404233e+00 -5.953404233e+00 3.08 -5.875993476e+00 -5.875993476e+00 3.10 -5.792289474e+00 -5.792289474e+00 3.12 -5.702252730e+00 -5.702252730e+00 3.14 -5.605916315e+00 -5.605916315e+00 3.16 -5.503387577e+00 -5.503387577e+00 3.18 -5.394848557e+00 -5.394848557e+00 3.20 -5.280538583e+00 -5.280538583e+00 3.22 -5.160760163e+00 -5.160760163e+00 3.24 -5.035888386e+00 -5.035888386e+00 3.26 -4.906379144e+00 -4.906379144e+00 3.28 -4.772773611e+00 -4.772773611e+00 3.30 -4.635696922e+00 -4.635696922e+00 3.32 -4.495849813e+00 -4.495849813e+00 3.34 -4.353993021e+00 -4.353993021e+00 3.36 -4.210925295e+00 -4.210925295e+00 3.38 -4.067456791e+00 -4.067456791e+00 3.40 -3.924380159e+00 -3.924380159e+00 3.42 -3.782441859e+00 -3.782441859e+00 3.44 -3.642316017e+00 -3.642316017e+00 3.46 -3.504582754e+00 -3.504582754e+00 3.48 -3.369712316e+00 -3.369712316e+00 3.50 -3.238055798e+00 -3.238055798e+00 3.52 -3.109842695e+00 -3.109842695e+00 3.54 -2.985185091e+00 -2.985185091e+00 3.56 -2.864087865e+00 -2.864087865e+00 3.58 -2.746464014e+00 -2.746464014e+00 3.60 -2.632153935e+00 -2.632153935e+00 3.62 -2.520947370e+00 -2.520947370e+00 3.64 -2.412606667e+00 -2.412606667e+00 3.66 -2.306890015e+00 -2.306890015e+00 3.68 -2.203573389e+00 -2.203573389e+00 3.70 -2.102470031e+00 -2.102470031e+00 3.72 -2.003446417e+00 -2.003446417e+00 3.74 -1.906433783e+00 -1.906433783e+00 3.76 -1.811434491e+00 -1.811434491e+00 3.78 -1.718522775e+00 -1.718522775e+00 3.80 -1.627839750e+00 -1.627839750e+00 3.82 -1.539583026e+00 -1.539583026e+00 3.84 -1.453991743e+00 -1.453991743e+00 3.86 -1.371328331e+00 -1.371328331e+00 3.88 -1.291858629e+00 -1.291858629e+00 3.90 -1.215832208e+00 -1.215832208e+00 3.92 -1.143464631e+00 -1.143464631e+00 3.94 -1.074923174e+00 -1.074923174e+00 3.96 -1.010316911e+00 -1.010316911e+00 3.98 -9.496916891e-01 -9.496916891e-01 4.00 -8.930297950e-01 -8.930297950e-01 4.02 -8.402537461e-01 -8.402537461e-01 4.04 -7.912332973e-01 -7.912332973e-01 4.06 -7.457946313e-01 -7.457946313e-01 4.08 -7.037307070e-01 -7.037307070e-01 4.10 -6.648118579e-01 -6.648118579e-01 4.12 -6.287960120e-01 -6.287960120e-01 4.14 -5.954378301e-01 -5.954378301e-01 4.16 -5.644967258e-01 -5.644967258e-01 4.18 -5.357433878e-01 -5.357433878e-01 4.20 -5.089648295e-01 -5.089648295e-01 4.22 -4.839679542e-01 -4.839679542e-01 4.24 -4.605816727e-01 -4.605816727e-01 4.26 -4.386576385e-01 -4.386576385e-01 4.28 -4.180697002e-01 -4.180697002e-01 4.30 -3.987122104e-01 -3.987122104e-01 4.32 -3.804974113e-01 -3.804974113e-01 4.34 -3.633521472e-01 -3.633521472e-01 4.36 -3.472142404e-01 -3.472142404e-01 4.38 -3.320288724e-01 -3.320288724e-01 4.40 -3.177453230e-01 -3.177453230e-01 4.42 -3.043142835e-01 -3.043142835e-01 4.44 -2.916858618e-01 -2.916858618e-01 4.46 -2.798082828e-01 -2.798082828e-01 4.48 -2.686280494e-01 -2.686280494e-01 4.50 -2.580896245e-01 -2.580896245e-01 4.52 -2.481359491e-01 -2.481359491e-01 4.54 -2.387092704e-01 -2.387092704e-01 4.56 -2.297520228e-01 -2.297520228e-01 4.58 -2.212076691e-01 -2.212076691e-01 4.60 -2.130214463e-01 -2.130214463e-01 4.62 -2.051409852e-01 -2.051409852e-01 4.64 -1.975167787e-01 -1.975167787e-01 4.66 -1.901023111e-01 -1.901023111e-01 4.68 -1.828549708e-01 -1.828549708e-01 4.70 -1.757360279e-01 -1.757360279e-01 4.72 -1.687107198e-01 -1.687107198e-01 4.74 -1.617485952e-01 -1.617485952e-01 4.76 -1.548238799e-01 -1.548238799e-01 4.78 -1.479158768e-01 -1.479158768e-01 4.80 -1.410093847e-01 -1.410093847e-01 4.82 -1.340951460e-01 -1.340951460e-01 4.84 -1.271701898e-01 -1.271701898e-01 4.86 -1.202381366e-01 -1.202381366e-01 4.88 -1.133093038e-01 -1.133093038e-01 4.90 -1.064005851e-01 -1.064005851e-01 4.92 -9.953503829e-02 -9.953503829e-02 4.94 -9.274114599e-02 -9.274114599e-02 4.96 -8.605174179e-02 -8.605174179e-02 4.98 -7.950263447e-02 -7.950263447e-02 5.00 -7.313100216e-02 -7.313100216e-02 5.02 -6.697366345e-02 -6.697366345e-02 5.04 -6.106535572e-02 -6.106535572e-02 5.06 -5.543715625e-02 -5.543715625e-02 5.08 -5.011517038e-02 -5.011517038e-02 5.10 -4.511957448e-02 -4.511957448e-02 5.12 -4.046406397e-02 -4.046406397e-02 5.14 -3.615572888e-02 -3.615572888e-02 5.16 -3.219529943e-02 -3.219529943e-02 5.18 -2.857771141e-02 -2.857771141e-02 5.20 -2.529288142e-02 -2.529288142e-02 5.22 -2.232661477e-02 -2.232661477e-02 5.24 -1.966157042e-02 -1.966157042e-02 5.26 -1.727817406e-02 -1.727817406e-02 5.28 -1.515516607e-02 -1.515516607e-02 5.30 -1.327123376e-02 -1.327123376e-02 5.32 -1.160517813e-02 -1.160517813e-02 5.34 -1.013623193e-02 -1.013623193e-02 5.36 -8.844470657e-03 -8.844470657e-03 5.38 -7.711098962e-03 -7.711098962e-03 5.40 -6.718631769e-03 -6.718631769e-03 5.42 -5.850990296e-03 -5.850990296e-03 5.44 -5.093531837e-03 -5.093531837e-03 5.46 -4.433030165e-03 -4.433030165e-03 5.48 -3.857620875e-03 -3.857620875e-03 5.50 -3.356723364e-03 -3.356723364e-03 5.52 -2.920948701e-03 -2.920948701e-03 5.54 -2.542000446e-03 -2.542000446e-03 5.56 -2.212573644e-03 -2.212573644e-03 5.58 -1.926255708e-03 -1.926255708e-03 5.60 -1.677431689e-03 -1.677431689e-03 5.62 -1.461195529e-03 -1.461195529e-03 5.64 -1.273268176e-03 -1.273268176e-03 5.66 -1.109922935e-03 -1.109922935e-03 5.68 -9.679180798e-04 -9.679180798e-04 5.70 -8.444364902e-04 -8.444364902e-04 5.72 -7.370319331e-04 -7.370319331e-04 5.74 -6.435815107e-04 -6.435815107e-04 5.76 -5.622437511e-04 -5.622437511e-04 5.78 -4.914218090e-04 -4.914218090e-04 5.80 -4.297312511e-04 -4.297312511e-04 5.82 -3.759719262e-04 -3.759719262e-04 5.84 -3.291034536e-04 -3.291034536e-04 5.86 -2.882239014e-04 -2.882239014e-04 5.88 -2.525512661e-04 -2.525512661e-04 5.90 -2.214074034e-04 -2.214074034e-04 5.92 -1.942040998e-04 -1.942040998e-04 5.94 -1.704310074e-04 -1.704310074e-04 5.96 -1.496451992e-04 -1.496451992e-04 5.98 -1.314621309e-04 -1.314621309e-04 6.00 -1.155478223e-04 -1.155478223e-04