# 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 = Cu2MoTi # 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 1.766982670e+02 1.766982670e+02 1.30 1.628385735e+02 1.628385735e+02 1.32 1.500622480e+02 1.500622480e+02 1.34 1.382772748e+02 1.382772748e+02 1.36 1.273971614e+02 1.273971614e+02 1.38 1.173418389e+02 1.173418389e+02 1.40 1.080386752e+02 1.080386752e+02 1.42 9.942334246e+01 9.942334246e+01 1.44 9.143984204e+01 9.143984204e+01 1.46 8.403941176e+01 8.403941176e+01 1.48 7.717876845e+01 7.717876845e+01 1.50 7.081858108e+01 7.081858108e+01 1.52 6.492269243e+01 6.492269243e+01 1.54 5.945783617e+01 5.945783617e+01 1.56 5.439341376e+01 5.439341376e+01 1.58 4.970126433e+01 4.970126433e+01 1.60 4.535557099e+01 4.535557099e+01 1.62 4.133287747e+01 4.133287747e+01 1.64 3.761196499e+01 3.761196499e+01 1.66 3.417340339e+01 3.417340339e+01 1.68 3.099888540e+01 3.099888540e+01 1.70 2.807241144e+01 2.807241144e+01 1.72 2.537747773e+01 2.537747773e+01 1.74 2.289617665e+01 2.289617665e+01 1.76 2.061072855e+01 2.061072855e+01 1.78 1.850393771e+01 1.850393771e+01 1.80 1.655965621e+01 1.655965621e+01 1.82 1.476315969e+01 1.476315969e+01 1.84 1.310150318e+01 1.310150318e+01 1.86 1.156363684e+01 1.156363684e+01 1.88 1.014024760e+01 1.014024760e+01 1.90 8.823411357e+00 8.823411357e+00 1.92 7.606194458e+00 7.606194458e+00 1.94 6.482329205e+00 6.482329205e+00 1.96 5.446020415e+00 5.446020415e+00 1.98 4.491856947e+00 4.491856947e+00 2.00 3.614752934e+00 3.614752934e+00 2.02 2.809865396e+00 2.809865396e+00 2.04 2.072494397e+00 2.072494397e+00 2.06 1.398007900e+00 1.398007900e+00 2.08 7.818245878e-01 7.818245878e-01 2.10 2.194558909e-01 2.194558909e-01 2.12 -2.934180594e-01 -2.934180594e-01 2.14 -7.608704649e-01 -7.608704649e-01 2.16 -1.186670703e+00 -1.186670703e+00 2.18 -1.574259610e+00 -1.574259610e+00 2.20 -1.926758574e+00 -1.926758574e+00 2.22 -2.247006062e+00 -2.247006062e+00 2.24 -2.537608364e+00 -2.537608364e+00 2.26 -2.800990336e+00 -2.800990336e+00 2.28 -3.039435103e+00 -3.039435103e+00 2.30 -3.255104511e+00 -3.255104511e+00 2.32 -3.450036337e+00 -3.450036337e+00 2.34 -3.626116436e+00 -3.626116436e+00 2.36 -3.785037446e+00 -3.785037446e+00 2.38 -3.928253729e+00 -3.928253729e+00 2.40 -4.056850746e+00 -4.056850746e+00 2.42 -4.171935780e+00 -4.171935780e+00 2.44 -4.274495311e+00 -4.274495311e+00 2.46 -4.365357552e+00 -4.365357552e+00 2.48 -4.445246577e+00 -4.445246577e+00 2.50 -4.514819312e+00 -4.514819312e+00 2.52 -4.574701212e+00 -4.574701212e+00 2.54 -4.625505860e+00 -4.625505860e+00 2.56 -4.667603048e+00 -4.667603048e+00 2.58 -4.701240309e+00 -4.701240309e+00 2.60 -4.726692304e+00 -4.726692304e+00 2.62 -4.744264277e+00 -4.744264277e+00 2.64 -4.754293104e+00 -4.754293104e+00 2.66 -4.757150256e+00 -4.757150256e+00 2.68 -4.753215522e+00 -4.753215522e+00 2.70 -4.742789893e+00 -4.742789893e+00 2.72 -4.726188602e+00 -4.726188602e+00 2.74 -4.703755440e+00 -4.703755440e+00 2.76 -4.675852553e+00 -4.675852553e+00 2.78 -4.643193817e+00 -4.643193817e+00 2.80 -4.605935055e+00 -4.605935055e+00 2.82 -4.563982984e+00 -4.563982984e+00 2.84 -4.517305634e+00 -4.517305634e+00 2.86 -4.465933110e+00 -4.465933110e+00 2.88 -4.409961499e+00 -4.409961499e+00 2.90 -4.349556711e+00 -4.349556711e+00 2.92 -4.284955669e+00 -4.284955669e+00 2.94 -4.216467544e+00 -4.216467544e+00 2.96 -4.144497977e+00 -4.144497977e+00 2.98 -4.069511907e+00 -4.069511907e+00 3.00 -3.991999132e+00 -3.991999132e+00 3.02 -3.912456739e+00 -3.912456739e+00 3.04 -3.831368807e+00 -3.831368807e+00 3.06 -3.749185004e+00 -3.749185004e+00 3.08 -3.666299828e+00 -3.666299828e+00 3.10 -3.583036803e+00 -3.583036803e+00 3.12 -3.499639159e+00 -3.499639159e+00 3.14 -3.416268689e+00 -3.416268689e+00 3.16 -3.333011556e+00 -3.333011556e+00 3.18 -3.249890034e+00 -3.249890034e+00 3.20 -3.166877450e+00 -3.166877450e+00 3.22 -3.083914716e+00 -3.083914716e+00 3.24 -3.000927077e+00 -3.000927077e+00 3.26 -2.917840241e+00 -2.917840241e+00 3.28 -2.834595278e+00 -2.834595278e+00 3.30 -2.751161774e+00 -2.751161774e+00 3.32 -2.667548640e+00 -2.667548640e+00 3.34 -2.583811948e+00 -2.583811948e+00 3.36 -2.500059214e+00 -2.500059214e+00 3.38 -2.416449699e+00 -2.416449699e+00 3.40 -2.333190612e+00 -2.333190612e+00 3.42 -2.250529585e+00 -2.250529585e+00 3.44 -2.168743841e+00 -2.168743841e+00 3.46 -2.088127368e+00 -2.088127368e+00 3.48 -2.008976974e+00 -2.008976974e+00 3.50 -1.931578467e+00 -1.931578467e+00 3.52 -1.856193913e+00 -1.856193913e+00 3.54 -1.783050723e+00 -1.783050723e+00 3.56 -1.712333132e+00 -1.712333132e+00 3.58 -1.644176470e+00 -1.644176470e+00 3.60 -1.578664529e+00 -1.578664529e+00 3.62 -1.515830205e+00 -1.515830205e+00 3.64 -1.455659324e+00 -1.455659324e+00 3.66 -1.398097265e+00 -1.398097265e+00 3.68 -1.343057620e+00 -1.343057620e+00 3.70 -1.290431924e+00 -1.290431924e+00 3.72 -1.240099442e+00 -1.240099442e+00 3.74 -1.191936091e+00 -1.191936091e+00 3.76 -1.145821824e+00 -1.145821824e+00 3.78 -1.101646017e+00 -1.101646017e+00 3.80 -1.059310676e+00 -1.059310676e+00 3.82 -1.018731444e+00 -1.018731444e+00 3.84 -9.798366497e-01 -9.798366497e-01 3.86 -9.425647965e-01 -9.425647965e-01 3.88 -9.068610468e-01 -9.068610468e-01 3.90 -8.726733564e-01 -8.726733564e-01 3.92 -8.399488582e-01 -8.399488582e-01 3.94 -8.086311728e-01 -8.086311728e-01 3.96 -7.786584923e-01 -7.786584923e-01 3.98 -7.499631266e-01 -7.499631266e-01 4.00 -7.224718835e-01 -7.224718835e-01 4.02 -6.961072147e-01 -6.961072147e-01 4.04 -6.707887748e-01 -6.707887748e-01 4.06 -6.464351061e-01 -6.464351061e-01 4.08 -6.229652349e-01 -6.229652349e-01 4.10 -6.002999955e-01 -6.002999955e-01 4.12 -5.783634175e-01 -5.783634175e-01 4.14 -5.570832298e-01 -5.570832298e-01 4.16 -5.363918826e-01 -5.363918826e-01 4.18 -5.162271251e-01 -5.162271251e-01 4.20 -4.965326479e-01 -4.965326479e-01 4.22 -4.772587783e-01 -4.772587783e-01 4.24 -4.583632610e-01 -4.583632610e-01 4.26 -4.398121261e-01 -4.398121261e-01 4.28 -4.215806046e-01 -4.215806046e-01 4.30 -4.036540094e-01 -4.036540094e-01 4.32 -3.860284599e-01 -3.860284599e-01 4.34 -3.687112987e-01 -3.687112987e-01 4.36 -3.517210365e-01 -3.517210365e-01 4.38 -3.350866768e-01 -3.350866768e-01 4.40 -3.188463193e-01 -3.188463193e-01 4.42 -3.030450236e-01 -3.030450236e-01 4.44 -2.877320161e-01 -2.877320161e-01 4.46 -2.729574357e-01 -2.729574357e-01 4.48 -2.587689036e-01 -2.587689036e-01 4.50 -2.452082532e-01 -2.452082532e-01 4.52 -2.323087480e-01 -2.323087480e-01 4.54 -2.200930544e-01 -2.200930544e-01 4.56 -2.085721231e-01 -2.085721231e-01 4.58 -1.977450093e-01 -1.977450093e-01 4.60 -1.875995408e-01 -1.875995408e-01 4.62 -1.781136541e-01 -1.781136541e-01 4.64 -1.692571724e-01 -1.692571724e-01 4.66 -1.609937935e-01 -1.609937935e-01 4.68 -1.532830900e-01 -1.532830900e-01 4.70 -1.460823626e-01 -1.460823626e-01 4.72 -1.393480142e-01 -1.393480142e-01 4.74 -1.330373782e-01 -1.330373782e-01 4.76 -1.271096560e-01 -1.271096560e-01 4.78 -1.215263783e-01 -1.215263783e-01 4.80 -1.162519367e-01 -1.162519367e-01 4.82 -1.112541248e-01 -1.112541248e-01 4.84 -1.065040729e-01 -1.065040729e-01 4.86 -1.019765322e-01 -1.019765322e-01 4.88 -9.764983174e-02 -9.764983174e-02 4.90 -9.350581325e-02 -9.350581325e-02 4.92 -8.952970545e-02 -8.952970545e-02 4.94 -8.570993392e-02 -8.570993392e-02 4.96 -8.203786134e-02 -8.203786134e-02 4.98 -7.850744721e-02 -7.850744721e-02 5.00 -7.511483682e-02 -7.511483682e-02 5.02 -7.185788015e-02 -7.185788015e-02 5.04 -6.873560153e-02 -6.873560153e-02 5.06 -6.574765263e-02 -6.574765263e-02 5.08 -6.289378036e-02 -6.289378036e-02 5.10 -6.017320569e-02 -6.017320569e-02 5.12 -5.758462962e-02 -5.758462962e-02 5.14 -5.512585635e-02 -5.512585635e-02 5.16 -5.279355881e-02 -5.279355881e-02 5.18 -5.058328608e-02 -5.058328608e-02 5.20 -4.848956908e-02 -4.848956908e-02 5.22 -4.650609543e-02 -4.650609543e-02 5.24 -4.462592260e-02 -4.462592260e-02 5.26 -4.284170116e-02 -4.284170116e-02 5.28 -4.114588608e-02 -4.114588608e-02 5.30 -3.953092121e-02 -3.953092121e-02 5.32 -3.798938908e-02 -3.798938908e-02 5.34 -3.651412415e-02 -3.651412415e-02 5.36 -3.509829184e-02 -3.509829184e-02 5.38 -3.373543841e-02 -3.373543841e-02 5.40 -3.241951809e-02 -3.241951809e-02 5.42 -3.114490419e-02 -3.114490419e-02 5.44 -2.990639055e-02 -2.990639055e-02 5.46 -2.869918901e-02 -2.869918901e-02 5.48 -2.751892762e-02 -2.751892762e-02 5.50 -2.636165312e-02 -2.636165312e-02 5.52 -2.522384068e-02 -2.522384068e-02 5.54 -2.410241216e-02 -2.410241216e-02 5.56 -2.299476340e-02 -2.299476340e-02 5.58 -2.189880004e-02 -2.189880004e-02 5.60 -2.081297987e-02 -2.081297987e-02 5.62 -1.973635810e-02 -1.973635810e-02 5.64 -1.866863118e-02 -1.866863118e-02 5.66 -1.761017290e-02 -1.761017290e-02 5.68 -1.656205625e-02 -1.656205625e-02 5.70 -1.552605365e-02 -1.552605365e-02 5.72 -1.450460900e-02 -1.450460900e-02 5.74 -1.350077623e-02 -1.350077623e-02 5.76 -1.251811959e-02 -1.251811959e-02 5.78 -1.156047290e-02 -1.156047290e-02 5.80 -1.063197570e-02 -1.063197570e-02 5.82 -9.736874377e-03 -9.736874377e-03 5.84 -8.879245119e-03 -8.879245119e-03 5.86 -8.062803866e-03 -8.062803866e-03 5.88 -7.290736635e-03 -7.290736635e-03 5.90 -6.565563249e-03 -6.565563249e-03 5.92 -5.889043882e-03 -5.889043882e-03 5.94 -5.262133215e-03 -5.262133215e-03 5.96 -4.684981949e-03 -4.684981949e-03 5.98 -4.156980923e-03 -4.156980923e-03 6.00 -3.676839686e-03 -3.676839686e-03