# 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 = CoPt2Ti # 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 3.214943958e+02 3.214943958e+02 1.30 2.994598287e+02 2.994598287e+02 1.32 2.789094805e+02 2.789094805e+02 1.34 2.597382021e+02 2.597382021e+02 1.36 2.418483657e+02 2.418483657e+02 1.38 2.251470258e+02 2.251470258e+02 1.40 2.095479161e+02 2.095479161e+02 1.42 1.949739188e+02 1.949739188e+02 1.44 1.813549902e+02 1.813549902e+02 1.46 1.686245903e+02 1.686245903e+02 1.48 1.567193603e+02 1.567193603e+02 1.50 1.455805109e+02 1.455805109e+02 1.52 1.351536224e+02 1.351536224e+02 1.54 1.253870529e+02 1.253870529e+02 1.56 1.162307373e+02 1.162307373e+02 1.58 1.076360229e+02 1.076360229e+02 1.60 9.955622984e+01 9.955622984e+01 1.62 9.194766575e+01 9.194766575e+01 1.64 8.477100443e+01 8.477100443e+01 1.66 7.799273581e+01 7.799273581e+01 1.68 7.158610174e+01 7.158610174e+01 1.70 6.553092678e+01 6.553092678e+01 1.72 5.981202190e+01 5.981202190e+01 1.74 5.441629401e+01 5.441629401e+01 1.76 4.932960505e+01 4.932960505e+01 1.78 4.453507683e+01 4.453507683e+01 1.80 4.006763346e+01 4.006763346e+01 1.82 3.597172804e+01 3.597172804e+01 1.84 3.221505677e+01 3.221505677e+01 1.86 2.877001134e+01 2.877001134e+01 1.88 2.561348816e+01 2.561348816e+01 1.90 2.272527369e+01 2.272527369e+01 1.92 2.008628021e+01 2.008628021e+01 1.94 1.767743319e+01 1.767743319e+01 1.96 1.547954904e+01 1.547954904e+01 1.98 1.347390353e+01 1.347390353e+01 2.00 1.164292559e+01 1.164292559e+01 2.02 9.970638672e+00 9.970638672e+00 2.04 8.442791039e+00 8.442791039e+00 2.06 7.046779993e+00 7.046779993e+00 2.08 5.771475135e+00 5.771475135e+00 2.10 4.606996373e+00 4.606996373e+00 2.12 3.544477088e+00 3.544477088e+00 2.14 2.575849193e+00 2.575849193e+00 2.16 1.693688062e+00 1.693688062e+00 2.18 8.911341047e-01 8.911341047e-01 2.20 1.618731672e-01 1.618731672e-01 2.22 -4.998611191e-01 -4.998611191e-01 2.24 -1.099292049e+00 -1.099292049e+00 2.26 -1.641122658e+00 -1.641122658e+00 2.28 -2.129575795e+00 -2.129575795e+00 2.30 -2.568447760e+00 -2.568447760e+00 2.32 -2.961172777e+00 -2.961172777e+00 2.34 -3.310892113e+00 -3.310892113e+00 2.36 -3.620520562e+00 -3.620520562e+00 2.38 -3.892805899e+00 -3.892805899e+00 2.40 -4.130381270e+00 -4.130381270e+00 2.42 -4.335811290e+00 -4.335811290e+00 2.44 -4.511629204e+00 -4.511629204e+00 2.46 -4.660360620e+00 -4.660360620e+00 2.48 -4.784529955e+00 -4.784529955e+00 2.50 -4.886648652e+00 -4.886648652e+00 2.52 -4.969185231e+00 -4.969185231e+00 2.54 -5.034518042e+00 -5.034518042e+00 2.56 -5.086512257e+00 -5.086512257e+00 2.58 -5.128172884e+00 -5.128172884e+00 2.60 -5.160499236e+00 -5.160499236e+00 2.62 -5.184314822e+00 -5.184314822e+00 2.64 -5.200251352e+00 -5.200251352e+00 2.66 -5.208778204e+00 -5.208778204e+00 2.68 -5.210256181e+00 -5.210256181e+00 2.70 -5.204903558e+00 -5.204903558e+00 2.72 -5.192864946e+00 -5.192864946e+00 2.74 -5.174242857e+00 -5.174242857e+00 2.76 -5.149155338e+00 -5.149155338e+00 2.78 -5.117740347e+00 -5.117740347e+00 2.80 -5.080156815e+00 -5.080156815e+00 2.82 -5.036585627e+00 -5.036585627e+00 2.84 -4.987232176e+00 -4.987232176e+00 2.86 -4.932298600e+00 -4.932298600e+00 2.88 -4.872004536e+00 -4.872004536e+00 2.90 -4.806620024e+00 -4.806620024e+00 2.92 -4.736498940e+00 -4.736498940e+00 2.94 -4.662107961e+00 -4.662107961e+00 2.96 -4.584023926e+00 -4.584023926e+00 2.98 -4.502916060e+00 -4.502916060e+00 3.00 -4.419512080e+00 -4.419512080e+00 3.02 -4.334551539e+00 -4.334551539e+00 3.04 -4.248733967e+00 -4.248733967e+00 3.06 -4.162671639e+00 -4.162671639e+00 3.08 -4.076855225e+00 -4.076855225e+00 3.10 -3.991638301e+00 -3.991638301e+00 3.12 -3.907240491e+00 -3.907240491e+00 3.14 -3.823765968e+00 -3.823765968e+00 3.16 -3.741230075e+00 -3.741230075e+00 3.18 -3.659588735e+00 -3.659588735e+00 3.20 -3.578764787e+00 -3.578764787e+00 3.22 -3.498668950e+00 -3.498668950e+00 3.24 -3.419214692e+00 -3.419214692e+00 3.26 -3.340327639e+00 -3.340327639e+00 3.28 -3.261950717e+00 -3.261950717e+00 3.30 -3.184046244e+00 -3.184046244e+00 3.32 -3.106596001e+00 -3.106596001e+00 3.34 -3.029599998e+00 -3.029599998e+00 3.36 -2.953074476e+00 -2.953074476e+00 3.38 -2.877051044e+00 -2.877051044e+00 3.40 -2.801625758e+00 -2.801625758e+00 3.42 -2.726957506e+00 -2.726957506e+00 3.44 -2.653193589e+00 -2.653193589e+00 3.46 -2.580466625e+00 -2.580466625e+00 3.48 -2.508895958e+00 -2.508895958e+00 3.50 -2.438588733e+00 -2.438588733e+00 3.52 -2.369640463e+00 -2.369640463e+00 3.54 -2.302134918e+00 -2.302134918e+00 3.56 -2.236143257e+00 -2.236143257e+00 3.58 -2.171722552e+00 -2.171722552e+00 3.60 -2.108914053e+00 -2.108914053e+00 3.62 -2.047741732e+00 -2.047741732e+00 3.64 -1.988211599e+00 -1.988211599e+00 3.66 -1.930312147e+00 -1.930312147e+00 3.68 -1.874015946e+00 -1.874015946e+00 3.70 -1.819282198e+00 -1.819282198e+00 3.72 -1.766059854e+00 -1.766059854e+00 3.74 -1.714290897e+00 -1.714290897e+00 3.76 -1.663913439e+00 -1.663913439e+00 3.78 -1.614864402e+00 -1.614864402e+00 3.80 -1.567081664e+00 -1.567081664e+00 3.82 -1.520505629e+00 -1.520505629e+00 3.84 -1.475080284e+00 -1.475080284e+00 3.86 -1.430753792e+00 -1.430753792e+00 3.88 -1.387478740e+00 -1.387478740e+00 3.90 -1.345212154e+00 -1.345212154e+00 3.92 -1.303915370e+00 -1.303915370e+00 3.94 -1.263553999e+00 -1.263553999e+00 3.96 -1.224097754e+00 -1.224097754e+00 3.98 -1.185520643e+00 -1.185520643e+00 4.00 -1.147801215e+00 -1.147801215e+00 4.02 -1.110922995e+00 -1.110922995e+00 4.04 -1.074875023e+00 -1.074875023e+00 4.06 -1.039652393e+00 -1.039652393e+00 4.08 -1.005256662e+00 -1.005256662e+00 4.10 -9.716959154e-01 -9.716959154e-01 4.12 -9.389846042e-01 -9.389846042e-01 4.14 -9.071423243e-01 -9.071423243e-01 4.16 -8.761924686e-01 -8.761924686e-01 4.18 -8.461600263e-01 -8.461600263e-01 4.20 -8.170690075e-01 -8.170690075e-01 4.22 -7.889396815e-01 -7.889396815e-01 4.24 -7.617859271e-01 -7.617859271e-01 4.26 -7.356129837e-01 -7.356129837e-01 4.28 -7.104158294e-01 -7.104158294e-01 4.30 -6.861783128e-01 -6.861783128e-01 4.32 -6.628730516e-01 -6.628730516e-01 4.34 -6.404620204e-01 -6.404620204e-01 4.36 -6.188976873e-01 -6.188976873e-01 4.38 -5.981245282e-01 -5.981245282e-01 4.40 -5.780807517e-01 -5.780807517e-01 4.42 -5.587000793e-01 -5.587000793e-01 4.44 -5.399134588e-01 -5.399134588e-01 4.46 -5.216506232e-01 -5.216506232e-01 4.48 -5.038414458e-01 -5.038414458e-01 4.50 -4.864170843e-01 -4.864170843e-01 4.52 -4.693109386e-01 -4.693109386e-01 4.54 -4.524594738e-01 -4.524594738e-01 4.56 -4.358029772e-01 -4.358029772e-01 4.58 -4.192863189e-01 -4.192863189e-01 4.60 -4.028597827e-01 -4.028597827e-01 4.62 -3.864800135e-01 -3.864800135e-01 4.64 -3.701111062e-01 -3.701111062e-01 4.66 -3.537258276e-01 -3.537258276e-01 4.68 -3.373069263e-01 -3.373069263e-01 4.70 -3.208484468e-01 -3.208484468e-01 4.72 -3.043569255e-01 -3.043569255e-01 4.74 -2.878523136e-01 -2.878523136e-01 4.76 -2.713684558e-01 -2.713684558e-01 4.78 -2.549529542e-01 -2.549529542e-01 4.80 -2.386662379e-01 -2.386662379e-01 4.82 -2.225800126e-01 -2.225800126e-01 4.84 -2.067744425e-01 -2.067744425e-01 4.86 -1.913350700e-01 -1.913350700e-01 4.88 -1.763489881e-01 -1.763489881e-01 4.90 -1.619008420e-01 -1.619008420e-01 4.92 -1.480689425e-01 -1.480689425e-01 4.94 -1.349218183e-01 -1.349218183e-01 4.96 -1.225154801e-01 -1.225154801e-01 4.98 -1.108915775e-01 -1.108915775e-01 5.00 -1.000765197e-01 -1.000765197e-01 5.02 -9.008152357e-02 -9.008152357e-02 5.04 -8.090346426e-02 -8.090346426e-02 5.06 -7.252634885e-02 -7.252634885e-02 5.08 -6.492320920e-02 -6.492320920e-02 5.10 -5.805821731e-02 -5.805821731e-02 5.12 -5.188885142e-02 -5.188885142e-02 5.14 -4.636797746e-02 -4.636797746e-02 5.16 -4.144574908e-02 -4.144574908e-02 5.18 -3.707126508e-02 -3.707126508e-02 5.20 -3.319395142e-02 -3.319395142e-02 5.22 -2.976466556e-02 -2.976466556e-02 5.24 -2.673652899e-02 -2.673652899e-02 5.26 -2.406544891e-02 -2.406544891e-02 5.28 -2.171041198e-02 -2.171041198e-02 5.30 -1.963412867e-02 -1.963412867e-02 5.32 -1.780271923e-02 -1.780271923e-02 5.34 -1.618583907e-02 -1.618583907e-02 5.36 -1.475628925e-02 -1.475628925e-02 5.38 -1.348986176e-02 -1.348986176e-02 5.40 -1.236514003e-02 -1.236514003e-02 5.42 -1.136327083e-02 -1.136327083e-02 5.44 -1.046772554e-02 -1.046772554e-02 5.46 -9.664063786e-03 -9.664063786e-03 5.48 -8.939707943e-03 -8.939707943e-03 5.50 -8.283733757e-03 -8.283733757e-03 5.52 -7.686680156e-03 -7.686680156e-03 5.54 -7.140377892e-03 -7.140377892e-03 5.56 -6.637802550e-03 -6.637802550e-03 5.58 -6.172944395e-03 -6.172944395e-03 5.60 -5.740694337e-03 -5.740694337e-03 5.62 -5.336746599e-03 -5.336746599e-03 5.64 -4.957514237e-03 -4.957514237e-03 5.66 -4.600054761e-03 -4.600054761e-03 5.68 -4.262003011e-03 -4.262003011e-03 5.70 -3.941508517e-03 -3.941508517e-03 5.72 -3.637174866e-03 -3.637174866e-03 5.74 -3.347999083e-03 -3.347999083e-03 5.76 -3.073315578e-03 -3.073315578e-03 5.78 -2.813169376e-03 -2.813169376e-03 5.80 -2.567470093e-03 -2.567470093e-03 5.82 -2.335934424e-03 -2.335934424e-03 5.84 -2.118386697e-03 -2.118386697e-03 5.86 -1.914706963e-03 -1.914706963e-03 5.88 -1.724784697e-03 -1.724784697e-03 5.90 -1.548479899e-03 -1.548479899e-03 5.92 -1.385593001e-03 -1.385593001e-03 5.94 -1.235844382e-03 -1.235844382e-03 5.96 -1.098863585e-03 -1.098863585e-03 5.98 -9.741875438e-04 -9.741875438e-04 6.00 -8.612665252e-04 -8.612665252e-04