# 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 = Co2TaZr # 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 2.473366574e+02 2.473366574e+02 1.30 2.284759345e+02 2.284759345e+02 1.32 2.110468775e+02 2.110468775e+02 1.34 1.949317722e+02 1.949317722e+02 1.36 1.800246661e+02 1.800246661e+02 1.38 1.662301206e+02 1.662301206e+02 1.40 1.534618487e+02 1.534618487e+02 1.42 1.416412540e+02 1.416412540e+02 1.44 1.306958279e+02 1.306958279e+02 1.46 1.205580158e+02 1.205580158e+02 1.48 1.111647780e+02 1.111647780e+02 1.50 1.024573197e+02 1.024573197e+02 1.52 9.438075898e+01 9.438075898e+01 1.54 8.688411935e+01 8.688411935e+01 1.56 7.992081890e+01 7.992081890e+01 1.58 7.344924328e+01 7.344924328e+01 1.60 6.743274698e+01 6.743274698e+01 1.62 6.183895863e+01 6.183895863e+01 1.64 5.663876610e+01 5.663876610e+01 1.66 5.180542668e+01 5.180542668e+01 1.68 4.731402017e+01 4.731402017e+01 1.70 4.314122517e+01 4.314122517e+01 1.72 3.926519676e+01 3.926519676e+01 1.74 3.566544867e+01 3.566544867e+01 1.76 3.232274651e+01 3.232274651e+01 1.78 2.921909447e+01 2.921909447e+01 1.80 2.633776115e+01 2.633776115e+01 1.82 2.366328525e+01 2.366328525e+01 1.84 2.118134661e+01 2.118134661e+01 1.86 1.888139460e+01 1.888139460e+01 1.88 1.675371191e+01 1.675371191e+01 1.90 1.478636221e+01 1.478636221e+01 1.92 1.296843652e+01 1.296843652e+01 1.94 1.129061935e+01 1.129061935e+01 1.96 9.742969424e+00 9.742969424e+00 1.98 8.315799992e+00 8.315799992e+00 2.00 6.999876318e+00 6.999876318e+00 2.02 5.786516250e+00 5.786516250e+00 2.04 4.667708617e+00 4.667708617e+00 2.06 3.636187532e+00 3.636187532e+00 2.08 2.685430013e+00 2.685430013e+00 2.10 1.809588476e+00 1.809588476e+00 2.12 1.003400862e+00 1.003400862e+00 2.14 2.620989416e-01 2.620989416e-01 2.16 -4.186548442e-01 -4.186548442e-01 2.18 -1.042825037e+00 -1.042825037e+00 2.20 -1.614053630e+00 -1.614053630e+00 2.22 -2.135727320e+00 -2.135727320e+00 2.24 -2.611035473e+00 -2.611035473e+00 2.26 -3.043013491e+00 -3.043013491e+00 2.28 -3.434575417e+00 -3.434575417e+00 2.30 -3.788515848e+00 -3.788515848e+00 2.32 -4.107534966e+00 -4.107534966e+00 2.34 -4.394222125e+00 -4.394222125e+00 2.36 -4.651064465e+00 -4.651064465e+00 2.38 -4.880431651e+00 -4.880431651e+00 2.40 -5.084560138e+00 -5.084560138e+00 2.42 -5.265543969e+00 -5.265543969e+00 2.44 -5.425325544e+00 -5.425325544e+00 2.46 -5.565700837e+00 -5.565700837e+00 2.48 -5.688322949e+00 -5.688322949e+00 2.50 -5.794706201e+00 -5.794706201e+00 2.52 -5.886224528e+00 -5.886224528e+00 2.54 -5.964025110e+00 -5.964025110e+00 2.56 -6.029311689e+00 -6.029311689e+00 2.58 -6.083232505e+00 -6.083232505e+00 2.60 -6.126842905e+00 -6.126842905e+00 2.62 -6.161108764e+00 -6.161108764e+00 2.64 -6.186780287e+00 -6.186780287e+00 2.66 -6.204513967e+00 -6.204513967e+00 2.68 -6.214884154e+00 -6.214884154e+00 2.70 -6.218260820e+00 -6.218260820e+00 2.72 -6.214901159e+00 -6.214901159e+00 2.74 -6.205076663e+00 -6.205076663e+00 2.76 -6.189021164e+00 -6.189021164e+00 2.78 -6.166844277e+00 -6.166844277e+00 2.80 -6.138677802e+00 -6.138677802e+00 2.82 -6.104683399e+00 -6.104683399e+00 2.84 -6.065049563e+00 -6.065049563e+00 2.86 -6.019987602e+00 -6.019987602e+00 2.88 -5.969785382e+00 -5.969785382e+00 2.90 -5.914646041e+00 -5.914646041e+00 2.92 -5.854758278e+00 -5.854758278e+00 2.94 -5.790335691e+00 -5.790335691e+00 2.96 -5.721614465e+00 -5.721614465e+00 2.98 -5.648850528e+00 -5.648850528e+00 3.00 -5.572315657e+00 -5.572315657e+00 3.02 -5.492292211e+00 -5.492292211e+00 3.04 -5.409063244e+00 -5.409063244e+00 3.06 -5.322898602e+00 -5.322898602e+00 3.08 -5.233976321e+00 -5.233976321e+00 3.10 -5.142464632e+00 -5.142464632e+00 3.12 -5.048533190e+00 -5.048533190e+00 3.14 -4.952360960e+00 -4.952360960e+00 3.16 -4.854127505e+00 -4.854127505e+00 3.18 -4.754027081e+00 -4.754027081e+00 3.20 -4.652272246e+00 -4.652272246e+00 3.22 -4.549099444e+00 -4.549099444e+00 3.24 -4.444773512e+00 -4.444773512e+00 3.26 -4.339590268e+00 -4.339590268e+00 3.28 -4.233876040e+00 -4.233876040e+00 3.30 -4.127982889e+00 -4.127982889e+00 3.32 -4.022278798e+00 -4.022278798e+00 3.34 -3.917133260e+00 -3.917133260e+00 3.36 -3.812900029e+00 -3.812900029e+00 3.38 -3.709899726e+00 -3.709899726e+00 3.40 -3.608403966e+00 -3.608403966e+00 3.42 -3.508629888e+00 -3.508629888e+00 3.44 -3.410728125e+00 -3.410728125e+00 3.46 -3.314788583e+00 -3.314788583e+00 3.48 -3.220843684e+00 -3.220843684e+00 3.50 -3.128875820e+00 -3.128875820e+00 3.52 -3.038826341e+00 -3.038826341e+00 3.54 -2.950605107e+00 -2.950605107e+00 3.56 -2.864099930e+00 -2.864099930e+00 3.58 -2.779185551e+00 -2.779185551e+00 3.60 -2.695731990e+00 -2.695731990e+00 3.62 -2.613612271e+00 -2.613612271e+00 3.64 -2.532709556e+00 -2.532709556e+00 3.66 -2.452923717e+00 -2.452923717e+00 3.68 -2.374177292e+00 -2.374177292e+00 3.70 -2.296420691e+00 -2.296420691e+00 3.72 -2.219636381e+00 -2.219636381e+00 3.74 -2.143841743e+00 -2.143841743e+00 3.76 -2.069090221e+00 -2.069090221e+00 3.78 -1.995470431e+00 -1.995470431e+00 3.80 -1.923103011e+00 -1.923103011e+00 3.82 -1.852135099e+00 -1.852135099e+00 3.84 -1.782732604e+00 -1.782732604e+00 3.86 -1.715070649e+00 -1.715070649e+00 3.88 -1.649322872e+00 -1.649322872e+00 3.90 -1.585650523e+00 -1.585650523e+00 3.92 -1.524190498e+00 -1.524190498e+00 3.94 -1.465055312e+00 -1.465055312e+00 3.96 -1.408314919e+00 -1.408314919e+00 3.98 -1.354003495e+00 -1.354003495e+00 4.00 -1.302117838e+00 -1.302117838e+00 4.02 -1.252620749e+00 -1.252620749e+00 4.04 -1.205446221e+00 -1.205446221e+00 4.06 -1.160505623e+00 -1.160505623e+00 4.08 -1.117694117e+00 -1.117694117e+00 4.10 -1.076892962e+00 -1.076892962e+00 4.12 -1.037990919e+00 -1.037990919e+00 4.14 -1.000863642e+00 -1.000863642e+00 4.16 -9.653951122e-01 -9.653951122e-01 4.18 -9.314757304e-01 -9.314757304e-01 4.20 -8.990043046e-01 -8.990043046e-01 4.22 -8.678892611e-01 -8.678892611e-01 4.24 -8.380491291e-01 -8.380491291e-01 4.26 -8.094123471e-01 -8.094123471e-01 4.28 -7.819164574e-01 -7.819164574e-01 4.30 -7.555068000e-01 -7.555068000e-01 4.32 -7.301348644e-01 -7.301348644e-01 4.34 -7.057565012e-01 -7.057565012e-01 4.36 -6.823302125e-01 -6.823302125e-01 4.38 -6.598157140e-01 -6.598157140e-01 4.40 -6.381729030e-01 -6.381729030e-01 4.42 -6.173612815e-01 -6.173612815e-01 4.44 -5.973398013e-01 -5.973398013e-01 4.46 -5.780670394e-01 -5.780670394e-01 4.48 -5.595015788e-01 -5.595015788e-01 4.50 -5.416024754e-01 -5.416024754e-01 4.52 -5.243297125e-01 -5.243297125e-01 4.54 -5.076445808e-01 -5.076445808e-01 4.56 -4.915099556e-01 -4.915099556e-01 4.58 -4.758904675e-01 -4.758904675e-01 4.60 -4.607525865e-01 -4.607525865e-01 4.62 -4.460646438e-01 -4.460646438e-01 4.64 -4.317968242e-01 -4.317968242e-01 4.66 -4.179211572e-01 -4.179211572e-01 4.68 -4.044115338e-01 -4.044115338e-01 4.70 -3.912437696e-01 -3.912437696e-01 4.72 -3.783957297e-01 -3.783957297e-01 4.74 -3.658475224e-01 -3.658475224e-01 4.76 -3.535817609e-01 -3.535817609e-01 4.78 -3.415838816e-01 -3.415838816e-01 4.80 -3.298393445e-01 -3.298393445e-01 4.82 -3.183471111e-01 -3.183471111e-01 4.84 -3.070993377e-01 -3.070993377e-01 4.86 -2.960959533e-01 -2.960959533e-01 4.88 -2.853408519e-01 -2.853408519e-01 4.90 -2.748416447e-01 -2.748416447e-01 4.92 -2.646091317e-01 -2.646091317e-01 4.94 -2.546564888e-01 -2.546564888e-01 4.96 -2.449982022e-01 -2.449982022e-01 4.98 -2.356488291e-01 -2.356488291e-01 5.00 -2.266216983e-01 -2.266216983e-01 5.02 -2.179276857e-01 -2.179276857e-01 5.04 -2.095741936e-01 -2.095741936e-01 5.06 -2.015644359e-01 -2.015644359e-01 5.08 -1.938969614e-01 -1.938969614e-01 5.10 -1.865658461e-01 -1.865658461e-01 5.12 -1.795612458e-01 -1.795612458e-01 5.14 -1.728696999e-01 -1.728696999e-01 5.16 -1.664749167e-01 -1.664749167e-01 5.18 -1.603586328e-01 -1.603586328e-01 5.20 -1.545014659e-01 -1.545014659e-01 5.22 -1.488837014e-01 -1.488837014e-01 5.24 -1.434859816e-01 -1.434859816e-01 5.26 -1.382898799e-01 -1.382898799e-01 5.28 -1.332783592e-01 -1.332783592e-01 5.30 -1.284361228e-01 -1.284361228e-01 5.32 -1.237498671e-01 -1.237498671e-01 5.34 -1.192084442e-01 -1.192084442e-01 5.36 -1.148029428e-01 -1.148029428e-01 5.38 -1.105266860e-01 -1.105266860e-01 5.40 -1.063751495e-01 -1.063751495e-01 5.42 -1.023457987e-01 -1.023457987e-01 5.44 -9.843784345e-02 -9.843784345e-02 5.46 -9.465191755e-02 -9.465191755e-02 5.48 -9.098969804e-02 -9.098969804e-02 5.50 -8.745348192e-02 -8.745348192e-02 5.52 -8.404574562e-02 -8.404574562e-02 5.54 -8.076872376e-02 -8.076872376e-02 5.56 -7.762403605e-02 -7.762403605e-02 5.58 -7.461238883e-02 -7.461238883e-02 5.60 -7.173328616e-02 -7.173328616e-02 5.62 -6.898499677e-02 -6.898499677e-02 5.64 -6.636475601e-02 -6.636475601e-02 5.66 -6.386860837e-02 -6.386860837e-02 5.68 -6.149154964e-02 -6.149154964e-02 5.70 -5.922771722e-02 -5.922771722e-02 5.72 -5.707059980e-02 -5.707059980e-02 5.74 -5.501324701e-02 -5.501324701e-02 5.76 -5.304846407e-02 -5.304846407e-02 5.78 -5.116898174e-02 -5.116898174e-02 5.80 -4.936759658e-02 -4.936759658e-02 5.82 -4.763728021e-02 -4.763728021e-02 5.84 -4.597125962e-02 -4.597125962e-02 5.86 -4.436307212e-02 -4.436307212e-02 5.88 -4.280659964e-02 -4.280659964e-02 5.90 -4.129608761e-02 -4.129608761e-02 5.92 -3.982615310e-02 -3.982615310e-02 5.94 -3.839178709e-02 -3.839178709e-02 5.96 -3.698835449e-02 -3.698835449e-02 5.98 -3.561159537e-02 -3.561159537e-02 6.00 -3.425762988e-02 -3.425762988e-02