# 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 = CoMo2Ta # 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 2.813239831e+02 2.813239831e+02 1.30 2.599650414e+02 2.599650414e+02 1.32 2.402396215e+02 2.402396215e+02 1.34 2.220062501e+02 2.220062501e+02 1.36 2.051357824e+02 2.051357824e+02 1.38 1.895115100e+02 1.895115100e+02 1.40 1.750294236e+02 1.750294236e+02 1.42 1.615976717e+02 1.615976717e+02 1.44 1.491347119e+02 1.491347119e+02 1.46 1.375667939e+02 1.375667939e+02 1.48 1.268259778e+02 1.268259778e+02 1.50 1.168493776e+02 1.168493776e+02 1.52 1.075793831e+02 1.075793831e+02 1.54 9.896414812e+01 9.896414812e+01 1.56 9.095771992e+01 9.095771992e+01 1.58 8.351948904e+01 8.351948904e+01 1.60 7.661303062e+01 7.661303062e+01 1.62 7.020471617e+01 7.020471617e+01 1.64 6.426253799e+01 6.426253799e+01 1.66 5.875542723e+01 5.875542723e+01 1.68 5.365310310e+01 5.365310310e+01 1.70 4.892627389e+01 4.892627389e+01 1.72 4.454692708e+01 4.454692708e+01 1.74 4.048854132e+01 4.048854132e+01 1.76 3.672621632e+01 3.672621632e+01 1.78 3.323679218e+01 3.323679218e+01 1.80 2.999898992e+01 2.999898992e+01 1.82 2.699434427e+01 2.699434427e+01 1.84 2.421021029e+01 2.421021029e+01 1.86 2.163305684e+01 2.163305684e+01 1.88 1.925249037e+01 1.925249037e+01 1.90 1.705550890e+01 1.705550890e+01 1.92 1.502964633e+01 1.502964633e+01 1.94 1.316315522e+01 1.316315522e+01 1.96 1.144480355e+01 1.144480355e+01 1.98 9.863790146e+00 9.863790146e+00 2.00 8.409754470e+00 8.409754470e+00 2.02 7.072836004e+00 7.072836004e+00 2.04 5.843736222e+00 5.843736222e+00 2.06 4.713752799e+00 4.713752799e+00 2.08 3.674783148e+00 3.674783148e+00 2.10 2.719314817e+00 2.719314817e+00 2.12 1.840423254e+00 1.840423254e+00 2.14 1.031785723e+00 1.031785723e+00 2.16 2.877033736e-01 2.877033736e-01 2.18 -3.968878785e-01 -3.968878785e-01 2.20 -1.026437146e+00 -1.026437146e+00 2.22 -1.604838022e+00 -1.604838022e+00 2.24 -2.135522039e+00 -2.135522039e+00 2.26 -2.621569512e+00 -2.621569512e+00 2.28 -3.065817928e+00 -3.065817928e+00 2.30 -3.470951330e+00 -3.470951330e+00 2.32 -3.839560455e+00 -3.839560455e+00 2.34 -4.174170073e+00 -4.174170073e+00 2.36 -4.477236328e+00 -4.477236328e+00 2.38 -4.751122135e+00 -4.751122135e+00 2.40 -4.998062153e+00 -4.998062153e+00 2.42 -5.220129191e+00 -5.220129191e+00 2.44 -5.419211063e+00 -5.419211063e+00 2.46 -5.597001982e+00 -5.597001982e+00 2.48 -5.755007668e+00 -5.755007668e+00 2.50 -5.894559014e+00 -5.894559014e+00 2.52 -6.016744225e+00 -6.016744225e+00 2.54 -6.122647133e+00 -6.122647133e+00 2.56 -6.213313042e+00 -6.213313042e+00 2.58 -6.289677318e+00 -6.289677318e+00 2.60 -6.352586265e+00 -6.352586265e+00 2.62 -6.402810431e+00 -6.402810431e+00 2.64 -6.440994422e+00 -6.440994422e+00 2.66 -6.467565923e+00 -6.467565923e+00 2.68 -6.483279362e+00 -6.483279362e+00 2.70 -6.488741899e+00 -6.488741899e+00 2.72 -6.484519163e+00 -6.484519163e+00 2.74 -6.471182633e+00 -6.471182633e+00 2.76 -6.449314048e+00 -6.449314048e+00 2.78 -6.419507677e+00 -6.419507677e+00 2.80 -6.382381369e+00 -6.382381369e+00 2.82 -6.338158788e+00 -6.338158788e+00 2.84 -6.286815978e+00 -6.286815978e+00 2.86 -6.228407762e+00 -6.228407762e+00 2.88 -6.163069608e+00 -6.163069608e+00 2.90 -6.091013975e+00 -6.091013975e+00 2.92 -6.012527993e+00 -6.012527993e+00 2.94 -5.927970025e+00 -5.927970025e+00 2.96 -5.837752274e+00 -5.837752274e+00 2.98 -5.742281510e+00 -5.742281510e+00 3.00 -5.641985914e+00 -5.641985914e+00 3.02 -5.537314576e+00 -5.537314576e+00 3.04 -5.428710145e+00 -5.428710145e+00 3.06 -5.316581928e+00 -5.316581928e+00 3.08 -5.201282789e+00 -5.201282789e+00 3.10 -5.083092987e+00 -5.083092987e+00 3.12 -4.962213083e+00 -4.962213083e+00 3.14 -4.838766527e+00 -4.838766527e+00 3.16 -4.712811063e+00 -4.712811063e+00 3.18 -4.584357035e+00 -4.584357035e+00 3.20 -4.453390168e+00 -4.453390168e+00 3.22 -4.319896496e+00 -4.319896496e+00 3.24 -4.183887350e+00 -4.183887350e+00 3.26 -4.045422730e+00 -4.045422730e+00 3.28 -3.904631616e+00 -3.904631616e+00 3.30 -3.761728002e+00 -3.761728002e+00 3.32 -3.617021561e+00 -3.617021561e+00 3.34 -3.470922050e+00 -3.470922050e+00 3.36 -3.323936769e+00 -3.323936769e+00 3.38 -3.176660767e+00 -3.176660767e+00 3.40 -3.029759934e+00 -3.029759934e+00 3.42 -2.883947706e+00 -2.883947706e+00 3.44 -2.739956795e+00 -2.739956795e+00 3.46 -2.598507960e+00 -2.598507960e+00 3.48 -2.460278392e+00 -2.460278392e+00 3.50 -2.325872493e+00 -2.325872493e+00 3.52 -2.195797730e+00 -2.195797730e+00 3.54 -2.070447731e+00 -2.070447731e+00 3.56 -1.950093950e+00 -1.950093950e+00 3.58 -1.834886238e+00 -1.834886238e+00 3.60 -1.724861654e+00 -1.724861654e+00 3.62 -1.619960029e+00 -1.619960029e+00 3.64 -1.520044276e+00 -1.520044276e+00 3.66 -1.424923199e+00 -1.424923199e+00 3.68 -1.334374630e+00 -1.334374630e+00 3.70 -1.248166976e+00 -1.248166976e+00 3.72 -1.166077659e+00 -1.166077659e+00 3.74 -1.087907379e+00 -1.087907379e+00 3.76 -1.013489599e+00 -1.013489599e+00 3.78 -9.426950642e-01 -9.426950642e-01 3.80 -8.754316198e-01 -8.754316198e-01 3.82 -8.116399226e-01 -8.116399226e-01 3.84 -7.512859721e-01 -7.512859721e-01 3.86 -6.943515784e-01 -6.943515784e-01 3.88 -6.408239890e-01 -6.408239890e-01 3.90 -5.906858546e-01 -5.906858546e-01 3.92 -5.439065451e-01 -5.439065451e-01 3.94 -5.004355549e-01 -5.004355549e-01 3.96 -4.601984052e-01 -4.601984052e-01 3.98 -4.230951124e-01 -4.230951124e-01 4.00 -3.890010037e-01 -3.890010037e-01 4.02 -3.577694454e-01 -3.577694454e-01 4.04 -3.292359428e-01 -3.292359428e-01 4.06 -3.032230401e-01 -3.032230401e-01 4.08 -2.795453885e-01 -2.795453885e-01 4.10 -2.580149885e-01 -2.580149885e-01 4.12 -2.384458863e-01 -2.384458863e-01 4.14 -2.206578874e-01 -2.206578874e-01 4.16 -2.044798173e-01 -2.044798173e-01 4.18 -1.897519908e-01 -1.897519908e-01 4.20 -1.763278993e-01 -1.763278993e-01 4.22 -1.640751535e-01 -1.640751535e-01 4.24 -1.528757251e-01 -1.528757251e-01 4.26 -1.426255422e-01 -1.426255422e-01 4.28 -1.332335244e-01 -1.332335244e-01 4.30 -1.246201690e-01 -1.246201690e-01 4.32 -1.167158361e-01 -1.167158361e-01 4.34 -1.094589228e-01 -1.094589228e-01 4.36 -1.027941090e-01 -1.027941090e-01 4.38 -9.667064613e-02 -9.667064613e-02 4.40 -9.104155537e-02 -9.104155537e-02 4.42 -8.586280630e-02 -8.586280630e-02 4.44 -8.109262599e-02 -8.109262599e-02 4.46 -7.669135370e-02 -7.669135370e-02 4.48 -7.262147543e-02 -7.262147543e-02 4.50 -6.884774198e-02 -6.884774198e-02 4.52 -6.533729459e-02 -6.533729459e-02 4.54 -6.205974941e-02 -6.205974941e-02 4.56 -5.898721830e-02 -5.898721830e-02 4.58 -5.609426420e-02 -5.609426420e-02 4.60 -5.335780277e-02 -5.335780277e-02 4.62 -5.075696818e-02 -5.075696818e-02 4.64 -4.827296618e-02 -4.827296618e-02 4.66 -4.588893123e-02 -4.588893123e-02 4.68 -4.358980365e-02 -4.358980365e-02 4.70 -4.136224196e-02 -4.136224196e-02 4.72 -3.919457810e-02 -3.919457810e-02 4.74 -3.707681958e-02 -3.707681958e-02 4.76 -3.500069784e-02 -3.500069784e-02 4.78 -3.295975709e-02 -3.295975709e-02 4.80 -3.094946548e-02 -3.094946548e-02 4.82 -2.896733651e-02 -2.896733651e-02 4.84 -2.701302984e-02 -2.701302984e-02 4.86 -2.508839945e-02 -2.508839945e-02 4.88 -2.319745532e-02 -2.319745532e-02 4.90 -2.134620934e-02 -2.134620934e-02 4.92 -1.954238491e-02 -1.954238491e-02 4.94 -1.779498646e-02 -1.779498646e-02 4.96 -1.611360439e-02 -1.611360439e-02 4.98 -1.450788710e-02 -1.450788710e-02 5.00 -1.298723236e-02 -1.298723236e-02 5.02 -1.155981423e-02 -1.155981423e-02 5.04 -1.023205483e-02 -1.023205483e-02 5.06 -9.008262600e-03 -9.008262600e-03 5.08 -7.890456900e-03 -7.890456900e-03 5.10 -6.878379805e-03 -6.878379805e-03 5.12 -5.969671707e-03 -5.969671707e-03 5.14 -5.160170441e-03 -5.160170441e-03 5.16 -4.444285720e-03 -4.444285720e-03 5.18 -3.815401639e-03 -3.815401639e-03 5.20 -3.266267444e-03 -3.266267444e-03 5.22 -2.789347738e-03 -2.789347738e-03 5.24 -2.377114975e-03 -2.377114975e-03 5.26 -2.022277430e-03 -2.022277430e-03 5.28 -1.717943797e-03 -1.717943797e-03 5.30 -1.457730777e-03 -1.457730777e-03 5.32 -1.235822822e-03 -1.235822822e-03 5.34 -1.046994108e-03 -1.046994108e-03 5.36 -8.866023959e-04 -8.866023959e-04 5.38 -7.505633270e-04 -7.505633270e-04 5.40 -6.353121917e-04 -6.353121917e-04 5.42 -5.377587026e-04 -5.377587026e-04 5.44 -4.552388876e-04 -4.552388876e-04 5.46 -3.854670171e-04 -3.854670171e-04 5.48 -3.264895115e-04 -3.264895115e-04 5.50 -2.766420241e-04 -2.766420241e-04 5.52 -2.345103420e-04 -2.345103420e-04 5.54 -1.988953550e-04 -1.988953550e-04 5.56 -1.687820761e-04 -1.687820761e-04 5.58 -1.433125281e-04 -1.433125281e-04 5.60 -1.217622084e-04 -1.217622084e-04 5.62 -1.035197992e-04 -1.035197992e-04 5.64 -8.806976780e-05 -8.806976780e-05 5.66 -7.497751265e-05 -7.497751265e-05 5.68 -6.387672775e-05 -6.387672775e-05 5.70 -5.445868480e-05 -5.445868480e-05 5.72 -4.646316368e-05 -4.646316368e-05 5.74 -3.967079178e-05 -3.967079178e-05 5.76 -3.389658285e-05 -3.389658285e-05 5.78 -2.898449370e-05 -2.898449370e-05 5.80 -2.480284243e-05 -2.480284243e-05 5.82 -2.124045402e-05 -2.124045402e-05 5.84 -1.820341923e-05 -1.820341923e-05 5.86 -1.561236996e-05 -1.561236996e-05 5.88 -1.340018883e-05 -1.340018883e-05 5.90 -1.151008383e-05 -1.151008383e-05 5.92 -9.893969625e-06 -9.893969625e-06 5.94 -8.511106325e-06 -8.511106325e-06 5.96 -7.326954467e-06 -7.326954467e-06 5.98 -6.312211498e-06 -6.312211498e-06 6.00 -5.442000641e-06 -5.442000641e-06