# 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 = AuPtTi2 # 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 3.594906175e+02 3.594906175e+02 1.30 3.347739145e+02 3.347739145e+02 1.32 3.117816881e+02 3.117816881e+02 1.34 2.903892637e+02 2.903892637e+02 1.36 2.704803675e+02 2.704803675e+02 1.38 2.519431284e+02 2.519431284e+02 1.40 2.346716629e+02 2.346716629e+02 1.42 2.185689278e+02 2.185689278e+02 1.44 2.035469417e+02 2.035469417e+02 1.46 1.895252007e+02 1.895252007e+02 1.48 1.764298919e+02 1.764298919e+02 1.50 1.641940243e+02 1.641940243e+02 1.52 1.527569673e+02 1.527569673e+02 1.54 1.420630271e+02 1.420630271e+02 1.56 1.320598227e+02 1.320598227e+02 1.58 1.226971255e+02 1.226971255e+02 1.60 1.139265234e+02 1.139265234e+02 1.62 1.057019574e+02 1.057019574e+02 1.64 9.798079772e+01 9.798079772e+01 1.66 9.072500667e+01 9.072500667e+01 1.68 8.390203874e+01 8.390203874e+01 1.70 7.748507669e+01 7.748507669e+01 1.72 7.145211656e+01 7.145211656e+01 1.74 6.578384271e+01 6.578384271e+01 1.76 6.046119803e+01 6.046119803e+01 1.78 5.546394793e+01 5.546394793e+01 1.80 5.077074484e+01 5.077074484e+01 1.82 4.636016393e+01 4.636016393e+01 1.84 4.221457580e+01 4.221457580e+01 1.86 3.835966292e+01 3.835966292e+01 1.88 3.479956655e+01 3.479956655e+01 1.90 3.151232790e+01 3.151232790e+01 1.92 2.847836665e+01 2.847836665e+01 1.94 2.567971767e+01 2.567971767e+01 1.96 2.309943474e+01 2.309943474e+01 1.98 2.072126635e+01 2.072126635e+01 2.00 1.852962599e+01 1.852962599e+01 2.02 1.650976219e+01 1.650976219e+01 2.04 1.464796755e+01 1.464796755e+01 2.06 1.293170619e+01 1.293170619e+01 2.08 1.134962888e+01 1.134962888e+01 2.10 9.891499689e+00 9.891499689e+00 2.12 8.548063622e+00 8.548063622e+00 2.14 7.310889536e+00 7.310889536e+00 2.16 6.172224211e+00 6.172224211e+00 2.18 5.124885507e+00 5.124885507e+00 2.20 4.162199604e+00 4.162199604e+00 2.22 3.277968909e+00 3.277968909e+00 2.24 2.466456583e+00 2.466456583e+00 2.26 1.722378118e+00 1.722378118e+00 2.28 1.040891297e+00 1.040891297e+00 2.30 4.175744741e-01 4.175744741e-01 2.32 -1.516153455e-01 -1.516153455e-01 2.34 -6.703993929e-01 -6.703993929e-01 2.36 -1.142232750e+00 -1.142232750e+00 2.38 -1.570346284e+00 -1.570346284e+00 2.40 -1.957774081e+00 -1.957774081e+00 2.42 -2.307375736e+00 -2.307375736e+00 2.44 -2.621861711e+00 -2.621861711e+00 2.46 -2.903823700e+00 -2.903823700e+00 2.48 -3.155764048e+00 -3.155764048e+00 2.50 -3.380115455e+00 -3.380115455e+00 2.52 -3.579242918e+00 -3.579242918e+00 2.54 -3.755424466e+00 -3.755424466e+00 2.56 -3.910814473e+00 -3.910814473e+00 2.58 -4.047400323e+00 -4.047400323e+00 2.60 -4.166966620e+00 -4.166966620e+00 2.62 -4.271899400e+00 -4.271899400e+00 2.64 -4.364033617e+00 -4.364033617e+00 2.66 -4.444165003e+00 -4.444165003e+00 2.68 -4.512981630e+00 -4.512981630e+00 2.70 -4.571088686e+00 -4.571088686e+00 2.72 -4.619066136e+00 -4.619066136e+00 2.74 -4.657486803e+00 -4.657486803e+00 2.76 -4.686736395e+00 -4.686736395e+00 2.78 -4.707194027e+00 -4.707194027e+00 2.80 -4.719244891e+00 -4.719244891e+00 2.82 -4.723278991e+00 -4.723278991e+00 2.84 -4.719692336e+00 -4.719692336e+00 2.86 -4.708890591e+00 -4.708890591e+00 2.88 -4.691295358e+00 -4.691295358e+00 2.90 -4.667308424e+00 -4.667308424e+00 2.92 -4.637252542e+00 -4.637252542e+00 2.94 -4.601540929e+00 -4.601540929e+00 2.96 -4.560555451e+00 -4.560555451e+00 2.98 -4.514744227e+00 -4.514744227e+00 3.00 -4.464619298e+00 -4.464619298e+00 3.02 -4.410731781e+00 -4.410731781e+00 3.04 -4.353641892e+00 -4.353641892e+00 3.06 -4.293887736e+00 -4.293887736e+00 3.08 -4.231956736e+00 -4.231956736e+00 3.10 -4.168264264e+00 -4.168264264e+00 3.12 -4.103140430e+00 -4.103140430e+00 3.14 -4.036837536e+00 -4.036837536e+00 3.16 -3.969541349e+00 -3.969541349e+00 3.18 -3.901386321e+00 -3.901386321e+00 3.20 -3.832471297e+00 -3.832471297e+00 3.22 -3.762873499e+00 -3.762873499e+00 3.24 -3.692659295e+00 -3.692659295e+00 3.26 -3.621891556e+00 -3.621891556e+00 3.28 -3.550634057e+00 -3.550634057e+00 3.30 -3.478953689e+00 -3.478953689e+00 3.32 -3.406921226e+00 -3.406921226e+00 3.34 -3.334611279e+00 -3.334611279e+00 3.36 -3.262101904e+00 -3.262101904e+00 3.38 -3.189474202e+00 -3.189474202e+00 3.40 -3.116812129e+00 -3.116812129e+00 3.42 -3.044202898e+00 -3.044202898e+00 3.44 -2.971756550e+00 -2.971756550e+00 3.46 -2.899624133e+00 -2.899624133e+00 3.48 -2.827955745e+00 -2.827955745e+00 3.50 -2.756896623e+00 -2.756896623e+00 3.52 -2.686588252e+00 -2.686588252e+00 3.54 -2.617167804e+00 -2.617167804e+00 3.56 -2.548765721e+00 -2.548765721e+00 3.58 -2.481501741e+00 -2.481501741e+00 3.60 -2.415480094e+00 -2.415480094e+00 3.62 -2.350784977e+00 -2.350784977e+00 3.64 -2.287477359e+00 -2.287477359e+00 3.66 -2.225593824e+00 -2.225593824e+00 3.68 -2.165147592e+00 -2.165147592e+00 3.70 -2.106131355e+00 -2.106131355e+00 3.72 -2.048521234e+00 -2.048521234e+00 3.74 -1.992281126e+00 -1.992281126e+00 3.76 -1.937366857e+00 -1.937366857e+00 3.78 -1.883729761e+00 -1.883729761e+00 3.80 -1.831319530e+00 -1.831319530e+00 3.82 -1.780086318e+00 -1.780086318e+00 3.84 -1.729982164e+00 -1.729982164e+00 3.86 -1.680961867e+00 -1.680961867e+00 3.88 -1.632983414e+00 -1.632983414e+00 3.90 -1.586008092e+00 -1.586008092e+00 3.92 -1.540000365e+00 -1.540000365e+00 3.94 -1.494927888e+00 -1.494927888e+00 3.96 -1.450761046e+00 -1.450761046e+00 3.98 -1.407473106e+00 -1.407473106e+00 4.00 -1.365040266e+00 -1.365040266e+00 4.02 -1.323441968e+00 -1.323441968e+00 4.04 -1.282661417e+00 -1.282661417e+00 4.06 -1.242686282e+00 -1.242686282e+00 4.08 -1.203509486e+00 -1.203509486e+00 4.10 -1.165129858e+00 -1.165129858e+00 4.12 -1.127553121e+00 -1.127553121e+00 4.14 -1.090791391e+00 -1.090791391e+00 4.16 -1.054863300e+00 -1.054863300e+00 4.18 -1.019792857e+00 -1.019792857e+00 4.20 -9.856077675e-01 -9.856077675e-01 4.22 -9.523371542e-01 -9.523371542e-01 4.24 -9.200088975e-01 -9.200088975e-01 4.26 -8.886468597e-01 -8.886468597e-01 4.28 -8.582683173e-01 -8.582683173e-01 4.30 -8.288818870e-01 -8.288818870e-01 4.32 -8.004861528e-01 -8.004861528e-01 4.34 -7.730690877e-01 -7.730690877e-01 4.36 -7.466082469e-01 -7.466082469e-01 4.38 -7.210716110e-01 -7.210716110e-01 4.40 -6.964189018e-01 -6.964189018e-01 4.42 -6.726031732e-01 -6.726031732e-01 4.44 -6.495724933e-01 -6.495724933e-01 4.46 -6.272715752e-01 -6.272715752e-01 4.48 -6.056432595e-01 -6.056432595e-01 4.50 -5.846297984e-01 -5.846297984e-01 4.52 -5.641739362e-01 -5.641739362e-01 4.54 -5.442198083e-01 -5.442198083e-01 4.56 -5.247137028e-01 -5.247137028e-01 4.58 -5.056047375e-01 -5.056047375e-01 4.60 -4.868455041e-01 -4.868455041e-01 4.62 -4.683927256e-01 -4.683927256e-01 4.64 -4.502079562e-01 -4.502079562e-01 4.66 -4.322583378e-01 -4.322583378e-01 4.68 -4.145174003e-01 -4.145174003e-01 4.70 -3.969658746e-01 -3.969658746e-01 4.72 -3.795924582e-01 -3.795924582e-01 4.74 -3.623944579e-01 -3.623944579e-01 4.76 -3.453782177e-01 -3.453782177e-01 4.78 -3.285592419e-01 -3.285592419e-01 4.80 -3.119618514e-01 -3.119618514e-01 4.82 -2.956188256e-01 -2.956188256e-01 4.84 -2.795697271e-01 -2.795697271e-01 4.86 -2.638597212e-01 -2.638597212e-01 4.88 -2.485376069e-01 -2.485376069e-01 4.90 -2.336537482e-01 -2.336537482e-01 4.92 -2.192579547e-01 -2.192579547e-01 4.94 -2.053974518e-01 -2.053974518e-01 4.96 -1.921150630e-01 -1.921150630e-01 4.98 -1.794476866e-01 -1.794476866e-01 5.00 -1.674251164e-01 -1.674251164e-01 5.02 -1.560692161e-01 -1.560692161e-01 5.04 -1.453934419e-01 -1.453934419e-01 5.06 -1.354026906e-01 -1.354026906e-01 5.08 -1.260934534e-01 -1.260934534e-01 5.10 -1.174542495e-01 -1.174542495e-01 5.12 -1.094663115e-01 -1.094663115e-01 5.14 -1.021044873e-01 -1.021044873e-01 5.16 -9.533830662e-02 -9.533830662e-02 5.18 -8.913315229e-02 -8.913315229e-02 5.20 -8.345146854e-02 -8.345146854e-02 5.22 -7.825393446e-02 -7.825393446e-02 5.24 -7.350055239e-02 -7.350055239e-02 5.26 -6.915159685e-02 -6.915159685e-02 5.28 -6.516821143e-02 -6.516821143e-02 5.30 -6.151302870e-02 -6.151302870e-02 5.32 -5.815155163e-02 -5.815155163e-02 5.34 -5.505150011e-02 -5.505150011e-02 5.36 -5.218298295e-02 -5.218298295e-02 5.38 -4.951860322e-02 -4.951860322e-02 5.40 -4.703345744e-02 -4.703345744e-02 5.42 -4.470506183e-02 -4.470506183e-02 5.44 -4.251323299e-02 -4.251323299e-02 5.46 -4.043994503e-02 -4.043994503e-02 5.48 -3.846917996e-02 -3.846917996e-02 5.50 -3.658678353e-02 -3.658678353e-02 5.52 -3.478033538e-02 -3.478033538e-02 5.54 -3.303903844e-02 -3.303903844e-02 5.56 -3.135363024e-02 -3.135363024e-02 5.58 -2.971631582e-02 -2.971631582e-02 5.60 -2.812071990e-02 -2.812071990e-02 5.62 -2.656185335e-02 -2.656185335e-02 5.64 -2.503608737e-02 -2.503608737e-02 5.66 -2.354112688e-02 -2.354112688e-02 5.68 -2.207597332e-02 -2.207597332e-02 5.70 -2.064086699e-02 -2.064086699e-02 5.72 -1.923719953e-02 -1.923719953e-02 5.74 -1.786738937e-02 -1.786738937e-02 5.76 -1.653471618e-02 -1.653471618e-02 5.78 -1.524311341e-02 -1.524311341e-02 5.80 -1.399693305e-02 -1.399693305e-02 5.82 -1.280068260e-02 -1.280068260e-02 5.84 -1.165875414e-02 -1.165875414e-02 5.86 -1.057516636e-02 -1.057516636e-02 5.88 -9.553336027e-03 -9.553336027e-03 5.90 -8.595894937e-03 -8.595894937e-03 5.92 -7.704668856e-03 -7.704668856e-03 5.94 -6.880649245e-03 -6.880649245e-03 5.96 -6.123424710e-03 -6.123424710e-03 5.98 -5.431689490e-03 -5.431689490e-03 6.00 -4.803364746e-03 -4.803364746e-03