# 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 = AlFe2Mg # 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 2.137595419e+02 2.137595419e+02 1.30 1.966452712e+02 1.966452712e+02 1.32 1.808955087e+02 1.808955087e+02 1.34 1.663912022e+02 1.663912022e+02 1.36 1.530270513e+02 1.530270513e+02 1.38 1.407105062e+02 1.407105062e+02 1.40 1.293591086e+02 1.293591086e+02 1.42 1.188974553e+02 1.188974553e+02 1.44 1.092550118e+02 1.092550118e+02 1.46 1.003654276e+02 1.003654276e+02 1.48 9.216724739e+01 9.216724739e+01 1.50 8.460498238e+01 8.460498238e+01 1.52 7.762927758e+01 7.762927758e+01 1.54 7.119588373e+01 7.119588373e+01 1.56 6.526421839e+01 6.526421839e+01 1.58 5.979615797e+01 5.979615797e+01 1.60 5.475585415e+01 5.475585415e+01 1.62 5.010959280e+01 5.010959280e+01 1.64 4.582636213e+01 4.582636213e+01 1.66 4.187834954e+01 4.187834954e+01 1.68 3.823804767e+01 3.823804767e+01 1.70 3.488028840e+01 3.488028840e+01 1.72 3.178241126e+01 3.178241126e+01 1.74 2.892411982e+01 2.892411982e+01 1.76 2.628714659e+01 2.628714659e+01 1.78 2.385490384e+01 2.385490384e+01 1.80 2.161223301e+01 2.161223301e+01 1.82 1.954524746e+01 1.954524746e+01 1.84 1.764119386e+01 1.764119386e+01 1.86 1.588829416e+01 1.588829416e+01 1.88 1.427555343e+01 1.427555343e+01 1.90 1.279255931e+01 1.279255931e+01 1.92 1.142930736e+01 1.142930736e+01 1.94 1.017610486e+01 1.017610486e+01 1.96 9.023584617e+00 9.023584617e+00 1.98 7.962824872e+00 7.962824872e+00 2.00 6.985521281e+00 6.985521281e+00 2.02 6.084144209e+00 6.084144209e+00 2.04 5.252032192e+00 5.252032192e+00 2.06 4.483398013e+00 4.483398013e+00 2.08 3.773252666e+00 3.773252666e+00 2.10 3.117275800e+00 3.117275800e+00 2.12 2.511670212e+00 2.511670212e+00 2.14 1.953028963e+00 1.953028963e+00 2.16 1.438232768e+00 1.438232768e+00 2.18 9.643799082e-01 9.643799082e-01 2.20 5.287463869e-01 5.287463869e-01 2.22 1.287663787e-01 1.287663787e-01 2.24 -2.379732561e-01 -2.379732561e-01 2.26 -5.737319782e-01 -5.737319782e-01 2.28 -8.806134284e-01 -8.806134284e-01 2.30 -1.160563697e+00 -1.160563697e+00 2.32 -1.415375403e+00 -1.415375403e+00 2.34 -1.646693223e+00 -1.646693223e+00 2.36 -1.856026687e+00 -1.856026687e+00 2.38 -2.044765989e+00 -2.044765989e+00 2.40 -2.214201992e+00 -2.214201992e+00 2.42 -2.365549286e+00 -2.365549286e+00 2.44 -2.499968839e+00 -2.499968839e+00 2.46 -2.618588677e+00 -2.618588677e+00 2.48 -2.722518357e+00 -2.722518357e+00 2.50 -2.812859306e+00 -2.812859306e+00 2.52 -2.890826116e+00 -2.890826116e+00 2.54 -2.958256700e+00 -2.958256700e+00 2.56 -3.015986278e+00 -3.015986278e+00 2.58 -3.064691053e+00 -3.064691053e+00 2.60 -3.105087791e+00 -3.105087791e+00 2.62 -3.137902945e+00 -3.137902945e+00 2.64 -3.163839068e+00 -3.163839068e+00 2.66 -3.183446943e+00 -3.183446943e+00 2.68 -3.196956311e+00 -3.196956311e+00 2.70 -3.204557629e+00 -3.204557629e+00 2.72 -3.206437311e+00 -3.206437311e+00 2.74 -3.202777499e+00 -3.202777499e+00 2.76 -3.193764105e+00 -3.193764105e+00 2.78 -3.179596566e+00 -3.179596566e+00 2.80 -3.160496908e+00 -3.160496908e+00 2.82 -3.136713921e+00 -3.136713921e+00 2.84 -3.108524078e+00 -3.108524078e+00 2.86 -3.076226959e+00 -3.076226959e+00 2.88 -3.040137076e+00 -3.040137076e+00 2.90 -3.000573774e+00 -3.000573774e+00 2.92 -2.957851522e+00 -2.957851522e+00 2.94 -2.912272841e+00 -2.912272841e+00 2.96 -2.864125348e+00 -2.864125348e+00 2.98 -2.813683220e+00 -2.813683220e+00 3.00 -2.761211972e+00 -2.761211972e+00 3.02 -2.706974339e+00 -2.706974339e+00 3.04 -2.651234420e+00 -2.651234420e+00 3.06 -2.594263877e+00 -2.594263877e+00 3.08 -2.536349269e+00 -2.536349269e+00 3.10 -2.477720655e+00 -2.477720655e+00 3.12 -2.418587367e+00 -2.418587367e+00 3.14 -2.359141772e+00 -2.359141772e+00 3.16 -2.299556197e+00 -2.299556197e+00 3.18 -2.239987197e+00 -2.239987197e+00 3.20 -2.180551397e+00 -2.180551397e+00 3.22 -2.121300542e+00 -2.121300542e+00 3.24 -2.062303221e+00 -2.062303221e+00 3.26 -2.003662222e+00 -2.003662222e+00 3.28 -1.945516302e+00 -1.945516302e+00 3.30 -1.888036461e+00 -1.888036461e+00 3.32 -1.831417089e+00 -1.831417089e+00 3.34 -1.775863340e+00 -1.775863340e+00 3.36 -1.721576736e+00 -1.721576736e+00 3.38 -1.668741240e+00 -1.668741240e+00 3.40 -1.617511670e+00 -1.617511670e+00 3.42 -1.568006067e+00 -1.568006067e+00 3.44 -1.520301662e+00 -1.520301662e+00 3.46 -1.474435328e+00 -1.474435328e+00 3.48 -1.430406852e+00 -1.430406852e+00 3.50 -1.388184376e+00 -1.388184376e+00 3.52 -1.347710930e+00 -1.347710930e+00 3.54 -1.308911166e+00 -1.308911166e+00 3.56 -1.271697662e+00 -1.271697662e+00 3.58 -1.235976395e+00 -1.235976395e+00 3.60 -1.201651184e+00 -1.201651184e+00 3.62 -1.168627090e+00 -1.168627090e+00 3.64 -1.136812846e+00 -1.136812846e+00 3.66 -1.106122453e+00 -1.106122453e+00 3.68 -1.076476121e+00 -1.076476121e+00 3.70 -1.047800695e+00 -1.047800695e+00 3.72 -1.020029716e+00 -1.020029716e+00 3.74 -9.931032357e-01 -9.931032357e-01 3.76 -9.669674646e-01 -9.669674646e-01 3.78 -9.415743073e-01 -9.415743073e-01 3.80 -9.168808254e-01 -9.168808254e-01 3.82 -8.928486315e-01 -8.928486315e-01 3.84 -8.694432210e-01 -8.694432210e-01 3.86 -8.466332456e-01 -8.466332456e-01 3.88 -8.243897445e-01 -8.243897445e-01 3.90 -8.026853705e-01 -8.026853705e-01 3.92 -7.814935483e-01 -7.814935483e-01 3.94 -7.607883382e-01 -7.607883382e-01 3.96 -7.405432119e-01 -7.405432119e-01 3.98 -7.207313328e-01 -7.207313328e-01 4.00 -7.013253540e-01 -7.013253540e-01 4.02 -6.822975553e-01 -6.822975553e-01 4.04 -6.636201522e-01 -6.636201522e-01 4.06 -6.452657526e-01 -6.452657526e-01 4.08 -6.272079422e-01 -6.272079422e-01 4.10 -6.094216488e-01 -6.094216488e-01 4.12 -5.918853756e-01 -5.918853756e-01 4.14 -5.745798505e-01 -5.745798505e-01 4.16 -5.574905767e-01 -5.574905767e-01 4.18 -5.406083739e-01 -5.406083739e-01 4.20 -5.239302669e-01 -5.239302669e-01 4.22 -5.074601898e-01 -5.074601898e-01 4.24 -4.912093760e-01 -4.912093760e-01 4.26 -4.751963081e-01 -4.751963081e-01 4.28 -4.594461205e-01 -4.594461205e-01 4.30 -4.439894050e-01 -4.439894050e-01 4.32 -4.288604420e-01 -4.288604420e-01 4.34 -4.140949740e-01 -4.140949740e-01 4.36 -3.997277192e-01 -3.997277192e-01 4.38 -3.857898833e-01 -3.857898833e-01 4.40 -3.723069345e-01 -3.723069345e-01 4.42 -3.592968744e-01 -3.592968744e-01 4.44 -3.467691555e-01 -3.467691555e-01 4.46 -3.347242982e-01 -3.347242982e-01 4.48 -3.231541608e-01 -3.231541608e-01 4.50 -3.120427413e-01 -3.120427413e-01 4.52 -3.013673469e-01 -3.013673469e-01 4.54 -2.910999615e-01 -2.910999615e-01 4.56 -2.812086291e-01 -2.812086291e-01 4.58 -2.716588117e-01 -2.716588117e-01 4.60 -2.624145820e-01 -2.624145820e-01 4.62 -2.534390304e-01 -2.534390304e-01 4.64 -2.446959355e-01 -2.446959355e-01 4.66 -2.361514832e-01 -2.361514832e-01 4.68 -2.277731132e-01 -2.277731132e-01 4.70 -2.195302001e-01 -2.195302001e-01 4.72 -2.113946453e-01 -2.113946453e-01 4.74 -2.033414044e-01 -2.033414044e-01 4.76 -1.953489929e-01 -1.953489929e-01 4.78 -1.873999904e-01 -1.873999904e-01 4.80 -1.794813351e-01 -1.794813351e-01 4.82 -1.715856973e-01 -1.715856973e-01 4.84 -1.637105201e-01 -1.637105201e-01 4.86 -1.558593230e-01 -1.558593230e-01 4.88 -1.480416668e-01 -1.480416668e-01 4.90 -1.402730776e-01 -1.402730776e-01 4.92 -1.325747224e-01 -1.325747224e-01 4.94 -1.249727733e-01 -1.249727733e-01 4.96 -1.174974530e-01 -1.174974530e-01 4.98 -1.101817864e-01 -1.101817864e-01 5.00 -1.030601267e-01 -1.030601267e-01 5.02 -9.616655294e-02 -9.616655294e-02 5.04 -8.953326273e-02 -8.953326273e-02 5.06 -8.318908659e-02 -8.318908659e-02 5.08 -7.715824300e-02 -7.715824300e-02 5.10 -7.145942297e-02 -7.145942297e-02 5.12 -6.610525563e-02 -6.610525563e-02 5.14 -6.110216342e-02 -6.110216342e-02 5.16 -5.645057587e-02 -5.645057587e-02 5.18 -5.214544047e-02 -5.214544047e-02 5.20 -4.817695095e-02 -4.817695095e-02 5.22 -4.453140739e-02 -4.453140739e-02 5.24 -4.119212765e-02 -4.119212765e-02 5.26 -3.814034247e-02 -3.814034247e-02 5.28 -3.535602278e-02 -3.535602278e-02 5.30 -3.281860606e-02 -3.281860606e-02 5.32 -3.050759987e-02 -3.050759987e-02 5.34 -2.840306410e-02 -2.840306410e-02 5.36 -2.648597152e-02 -2.648597152e-02 5.38 -2.473845796e-02 -2.473845796e-02 5.40 -2.314397636e-02 -2.314397636e-02 5.42 -2.168737064e-02 -2.168737064e-02 5.44 -2.035488483e-02 -2.035488483e-02 5.46 -1.913412241e-02 -1.913412241e-02 5.48 -1.801396951e-02 -1.801396951e-02 5.50 -1.698438009e-02 -1.698438009e-02 5.52 -1.603645010e-02 -1.603645010e-02 5.54 -1.516233229e-02 -1.516233229e-02 5.56 -1.435499680e-02 -1.435499680e-02 5.58 -1.360813077e-02 -1.360813077e-02 5.60 -1.291604785e-02 -1.291604785e-02 5.62 -1.227360959e-02 -1.227360959e-02 5.64 -1.167615909e-02 -1.167615909e-02 5.66 -1.111946598e-02 -1.111946598e-02 5.68 -1.059968133e-02 -1.059968133e-02 5.70 -1.011330053e-02 -1.011330053e-02 5.72 -9.657132124e-03 -9.657132124e-03 5.74 -9.228271097e-03 -9.228271097e-03 5.76 -8.824075122e-03 -8.824075122e-03 5.78 -8.442142945e-03 -8.442142945e-03 5.80 -8.080294255e-03 -8.080294255e-03 5.82 -7.736550760e-03 -7.736550760e-03 5.84 -7.409118372e-03 -7.409118372e-03 5.86 -7.096370564e-03 -7.096370564e-03 5.88 -6.796832997e-03 -6.796832997e-03 5.90 -6.509169593e-03 -6.509169593e-03 5.92 -6.232170194e-03 -6.232170194e-03 5.94 -5.964739934e-03 -5.964739934e-03 5.96 -5.705890415e-03 -5.705890415e-03 5.98 -5.454732754e-03 -5.454732754e-03 6.00 -5.210472493e-03 -5.210472493e-03