# 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 = CoPtW2 # 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 3.883180596e+02 3.883180596e+02 1.30 3.601556368e+02 3.601556368e+02 1.32 3.340275493e+02 3.340275493e+02 1.34 3.097687936e+02 3.097687936e+02 1.36 2.872404829e+02 2.872404829e+02 1.38 2.663208698e+02 2.663208698e+02 1.40 2.468976887e+02 2.468976887e+02 1.42 2.288635644e+02 2.288635644e+02 1.44 2.121146116e+02 2.121146116e+02 1.46 1.965514578e+02 1.965514578e+02 1.48 1.820811644e+02 1.820811644e+02 1.50 1.686185349e+02 1.686185349e+02 1.52 1.560860805e+02 1.560860805e+02 1.54 1.444129980e+02 1.444129980e+02 1.56 1.335340843e+02 1.335340843e+02 1.58 1.233889523e+02 1.233889523e+02 1.60 1.139213110e+02 1.139213110e+02 1.62 1.050782840e+02 1.050782840e+02 1.64 9.681013213e+01 9.681013213e+01 1.66 8.907065159e+01 8.907065159e+01 1.68 8.181807126e+01 8.181807126e+01 1.70 7.501593934e+01 7.501593934e+01 1.72 6.863347724e+01 6.863347724e+01 1.74 6.264516200e+01 6.264516200e+01 1.76 5.702975979e+01 5.702975979e+01 1.78 5.176931092e+01 5.176931092e+01 1.80 4.684832165e+01 4.684832165e+01 1.82 4.225296187e+01 4.225296187e+01 1.84 3.797027386e+01 3.797027386e+01 1.86 3.398760974e+01 3.398760974e+01 1.88 3.028993393e+01 3.028993393e+01 1.90 2.686307640e+01 2.686307640e+01 1.92 2.373558668e+01 2.373558668e+01 1.94 2.089702717e+01 2.089702717e+01 1.96 1.831838485e+01 1.831838485e+01 1.98 1.597337533e+01 1.597337533e+01 2.00 1.383859786e+01 1.383859786e+01 2.02 1.189345234e+01 1.189345234e+01 2.04 1.011985769e+01 1.011985769e+01 2.06 8.501848221e+00 8.501848221e+00 2.08 7.025153570e+00 7.025153570e+00 2.10 5.676848367e+00 5.676848367e+00 2.12 4.445115522e+00 4.445115522e+00 2.14 3.319130096e+00 3.319130096e+00 2.16 2.289042882e+00 2.289042882e+00 2.18 1.346019283e+00 1.346019283e+00 2.20 4.822763294e-01 4.822763294e-01 2.22 -3.089294701e-01 -3.089294701e-01 2.24 -1.033381454e+00 -1.033381454e+00 2.26 -1.696036493e+00 -1.696036493e+00 2.28 -2.301184060e+00 -2.301184060e+00 2.30 -2.852602368e+00 -2.852602368e+00 2.32 -3.353693163e+00 -3.353693163e+00 2.34 -3.807587555e+00 -3.807587555e+00 2.36 -4.217222980e+00 -4.217222980e+00 2.38 -4.585395124e+00 -4.585395124e+00 2.40 -4.914790040e+00 -4.914790040e+00 2.42 -5.208001822e+00 -5.208001822e+00 2.44 -5.467541270e+00 -5.467541270e+00 2.46 -5.695837273e+00 -5.695837273e+00 2.48 -5.895088586e+00 -5.895088586e+00 2.50 -6.067638519e+00 -6.067638519e+00 2.52 -6.215877008e+00 -6.215877008e+00 2.54 -6.342074162e+00 -6.342074162e+00 2.56 -6.448345912e+00 -6.448345912e+00 2.58 -6.536608768e+00 -6.536608768e+00 2.60 -6.608538544e+00 -6.608538544e+00 2.62 -6.665524594e+00 -6.665524594e+00 2.64 -6.708299439e+00 -6.708299439e+00 2.66 -6.737142816e+00 -6.737142816e+00 2.68 -6.752358671e+00 -6.752358671e+00 2.70 -6.755271510e+00 -6.755271510e+00 2.72 -6.746349284e+00 -6.746349284e+00 2.74 -6.725594291e+00 -6.725594291e+00 2.76 -6.693102547e+00 -6.693102547e+00 2.78 -6.649055956e+00 -6.649055956e+00 2.80 -6.593713503e+00 -6.593713503e+00 2.82 -6.527404671e+00 -6.527404671e+00 2.84 -6.450533363e+00 -6.450533363e+00 2.86 -6.363608188e+00 -6.363608188e+00 2.88 -6.267158104e+00 -6.267158104e+00 2.90 -6.161803136e+00 -6.161803136e+00 2.92 -6.048283489e+00 -6.048283489e+00 2.94 -5.927466906e+00 -5.927466906e+00 2.96 -5.800344717e+00 -5.800344717e+00 2.98 -5.668011998e+00 -5.668011998e+00 3.00 -5.531630320e+00 -5.531630320e+00 3.02 -5.392362775e+00 -5.392362775e+00 3.04 -5.251273963e+00 -5.251273963e+00 3.06 -5.109319042e+00 -5.109319042e+00 3.08 -4.967310709e+00 -4.967310709e+00 3.10 -4.825885208e+00 -4.825885208e+00 3.12 -4.685487857e+00 -4.685487857e+00 3.14 -4.546377156e+00 -4.546377156e+00 3.16 -4.408643924e+00 -4.408643924e+00 3.18 -4.272240741e+00 -4.272240741e+00 3.20 -4.137016846e+00 -4.137016846e+00 3.22 -4.002754565e+00 -4.002754565e+00 3.24 -3.869204474e+00 -3.869204474e+00 3.26 -3.736117659e+00 -3.736117659e+00 3.28 -3.603274251e+00 -3.603274251e+00 3.30 -3.470507947e+00 -3.470507947e+00 3.32 -3.337726327e+00 -3.337726327e+00 3.34 -3.204926759e+00 -3.204926759e+00 3.36 -3.072217513e+00 -3.072217513e+00 3.38 -2.940080493e+00 -2.940080493e+00 3.40 -2.809350205e+00 -2.809350205e+00 3.42 -2.680882971e+00 -2.680882971e+00 3.44 -2.555509862e+00 -2.555509862e+00 3.46 -2.434002426e+00 -2.434002426e+00 3.48 -2.317039510e+00 -2.317039510e+00 3.50 -2.205179352e+00 -2.205179352e+00 3.52 -2.098840258e+00 -2.098840258e+00 3.54 -1.998291803e+00 -1.998291803e+00 3.56 -1.903656821e+00 -1.903656821e+00 3.58 -1.814922918e+00 -1.814922918e+00 3.60 -1.731961154e+00 -1.731961154e+00 3.62 -1.654548997e+00 -1.654548997e+00 3.64 -1.582394672e+00 -1.582394672e+00 3.66 -1.515160542e+00 -1.515160542e+00 3.68 -1.452483802e+00 -1.452483802e+00 3.70 -1.393993567e+00 -1.393993567e+00 3.72 -1.339324035e+00 -1.339324035e+00 3.74 -1.288123907e+00 -1.288123907e+00 3.76 -1.240062531e+00 -1.240062531e+00 3.78 -1.194833389e+00 -1.194833389e+00 3.80 -1.152155541e+00 -1.152155541e+00 3.82 -1.111773603e+00 -1.111773603e+00 3.84 -1.073456772e+00 -1.073456772e+00 3.86 -1.036997249e+00 -1.036997249e+00 3.88 -1.002208401e+00 -1.002208401e+00 3.90 -9.689228402e-01 -9.689228402e-01 3.92 -9.369906019e-01 -9.369906019e-01 3.94 -9.062775198e-01 -9.062775198e-01 3.96 -8.766638514e-01 -8.766638514e-01 3.98 -8.480432198e-01 -8.480432198e-01 4.00 -8.203218646e-01 -8.203218646e-01 4.02 -7.934182025e-01 -7.934182025e-01 4.04 -7.672626541e-01 -7.672626541e-01 4.06 -7.417976682e-01 -7.417976682e-01 4.08 -7.169778350e-01 -7.169778350e-01 4.10 -6.927699457e-01 -6.927699457e-01 4.12 -6.691528576e-01 -6.691528576e-01 4.14 -6.461169284e-01 -6.461169284e-01 4.16 -6.236629660e-01 -6.236629660e-01 4.18 -6.018005342e-01 -6.018005342e-01 4.20 -5.805456465e-01 -5.805456465e-01 4.22 -5.599179575e-01 -5.599179575e-01 4.24 -5.399376661e-01 -5.399376661e-01 4.26 -5.206224238e-01 -5.206224238e-01 4.28 -5.019845559e-01 -5.019845559e-01 4.30 -4.840288869e-01 -4.840288869e-01 4.32 -4.667513192e-01 -4.667513192e-01 4.34 -4.501382551e-01 -4.501382551e-01 4.36 -4.341668051e-01 -4.341668051e-01 4.38 -4.188060326e-01 -4.188060326e-01 4.40 -4.040177848e-01 -4.040177848e-01 4.42 -3.897573948e-01 -3.897573948e-01 4.44 -3.759764169e-01 -3.759764169e-01 4.46 -3.626240841e-01 -3.626240841e-01 4.48 -3.496485872e-01 -3.496485872e-01 4.50 -3.369981777e-01 -3.369981777e-01 4.52 -3.246220921e-01 -3.246220921e-01 4.54 -3.124711708e-01 -3.124711708e-01 4.56 -3.004990217e-01 -3.004990217e-01 4.58 -2.886624638e-01 -2.886624638e-01 4.60 -2.769220860e-01 -2.769220860e-01 4.62 -2.652430265e-01 -2.652430265e-01 4.64 -2.535958084e-01 -2.535958084e-01 4.66 -2.419572385e-01 -2.419572385e-01 4.68 -2.303113490e-01 -2.303113490e-01 4.70 -2.186503329e-01 -2.186503329e-01 4.72 -2.069753979e-01 -2.069753979e-01 4.74 -1.952974382e-01 -1.952974382e-01 4.76 -1.836374139e-01 -1.836374139e-01 4.78 -1.720263236e-01 -1.720263236e-01 4.80 -1.605046752e-01 -1.605046752e-01 4.82 -1.491213973e-01 -1.491213973e-01 4.84 -1.379321775e-01 -1.379321775e-01 4.86 -1.269972924e-01 -1.269972924e-01 4.88 -1.163790414e-01 -1.163790414e-01 4.90 -1.061389634e-01 -1.061389634e-01 4.92 -9.633503987e-02 -9.633503987e-02 4.94 -8.701910393e-02 -8.701910393e-02 4.96 -7.823464656e-02 -7.823464656e-02 4.98 -7.001517416e-02 -7.001517416e-02 5.00 -6.238320884e-02 -6.238320884e-02 5.02 -5.534995919e-02 -5.534995919e-02 5.04 -4.891562664e-02 -4.891562664e-02 5.06 -4.307026043e-02 -4.307026043e-02 5.08 -3.779503721e-02 -3.779503721e-02 5.10 -3.306382198e-02 -3.306382198e-02 5.12 -2.884486355e-02 -2.884486355e-02 5.14 -2.510249253e-02 -2.510249253e-02 5.16 -2.179871649e-02 -2.179871649e-02 5.18 -1.889463030e-02 -1.889463030e-02 5.20 -1.635138735e-02 -1.635138735e-02 5.22 -1.413132763e-02 -1.413132763e-02 5.24 -1.219924754e-02 -1.219924754e-02 5.26 -1.052214616e-02 -1.052214616e-02 5.28 -9.069553632e-03 -9.069553632e-03 5.30 -7.813704883e-03 -7.813704883e-03 5.32 -6.729574154e-03 -6.729574154e-03 5.34 -5.794808948e-03 -5.794808948e-03 5.36 -4.989595511e-03 -4.989595511e-03 5.38 -4.296481613e-03 -4.296481613e-03 5.40 -3.700176360e-03 -3.700176360e-03 5.42 -3.187341614e-03 -3.187341614e-03 5.44 -2.746385270e-03 -2.746385270e-03 5.46 -2.367263268e-03 -2.367263268e-03 5.48 -2.041294593e-03 -2.041294593e-03 5.50 -1.760991591e-03 -1.760991591e-03 5.52 -1.519906547e-03 -1.519906547e-03 5.54 -1.312494532e-03 -1.312494532e-03 5.56 -1.133991880e-03 -1.133991880e-03 5.58 -9.803092935e-04 -9.803092935e-04 5.60 -8.479383728e-04 -8.479383728e-04 5.62 -7.338702655e-04 -7.338702655e-04 5.64 -6.355251424e-04 -6.355251424e-04 5.66 -5.506912497e-04 -5.506912497e-04 5.68 -4.774723742e-04 -4.774723742e-04 5.70 -4.142426511e-04 -4.142426511e-04 5.72 -3.596077557e-04 -3.596077557e-04 5.74 -3.123716177e-04 -3.123716177e-04 5.76 -2.715079036e-04 -2.715079036e-04 5.78 -2.361356014e-04 -2.361356014e-04 5.80 -2.054981308e-04 -2.054981308e-04 5.82 -1.789454750e-04 -1.789454750e-04 5.84 -1.559189027e-04 -1.559189027e-04 5.86 -1.359379037e-04 -1.359379037e-04 5.88 -1.185890196e-04 -1.185890196e-04 5.90 -1.035162923e-04 -1.035162923e-04 5.92 -9.041309529e-05 -9.041309529e-05 5.94 -7.901514478e-05 -7.901514478e-05 5.96 -6.909452004e-05 -6.909452004e-05 5.98 -6.045454386e-05 -6.045454386e-05 6.00 -5.292539851e-05 -5.292539851e-05