# 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 = Al2MgNi # 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 1.400797690e+02 1.400797690e+02 1.30 1.298365584e+02 1.298365584e+02 1.32 1.203503465e+02 1.203503465e+02 1.34 1.115591902e+02 1.115591902e+02 1.36 1.034075713e+02 1.034075713e+02 1.38 9.584718996e+01 9.584718996e+01 1.40 8.883559283e+01 8.883559283e+01 1.42 8.233363146e+01 8.233363146e+01 1.44 7.630312711e+01 7.630312711e+01 1.46 7.070584684e+01 7.070584684e+01 1.48 6.550448406e+01 6.550448406e+01 1.50 6.066503766e+01 6.066503766e+01 1.52 5.615866139e+01 5.615866139e+01 1.54 5.196158029e+01 5.196158029e+01 1.56 4.805353802e+01 4.805353802e+01 1.58 4.441605307e+01 4.441605307e+01 1.60 4.103131687e+01 4.103131687e+01 1.62 3.788465234e+01 3.788465234e+01 1.64 3.496036261e+01 3.496036261e+01 1.66 3.224132752e+01 3.224132752e+01 1.68 2.971106732e+01 2.971106732e+01 1.70 2.735427498e+01 2.735427498e+01 1.72 2.515728373e+01 2.515728373e+01 1.74 2.310815565e+01 2.310815565e+01 1.76 2.119642446e+01 2.119642446e+01 1.78 1.941278195e+01 1.941278195e+01 1.80 1.774889354e+01 1.774889354e+01 1.82 1.619731543e+01 1.619731543e+01 1.84 1.475140117e+01 1.475140117e+01 1.86 1.340514223e+01 1.340514223e+01 1.88 1.215294406e+01 1.215294406e+01 1.90 1.098938385e+01 1.098938385e+01 1.92 9.909000234e+00 9.909000234e+00 1.94 8.906167001e+00 8.906167001e+00 1.96 7.975095601e+00 7.975095601e+00 1.98 7.109981936e+00 7.109981936e+00 2.00 6.305261460e+00 6.305261460e+00 2.02 5.555883817e+00 5.555883817e+00 2.04 4.857500425e+00 4.857500425e+00 2.06 4.206494897e+00 4.206494897e+00 2.08 3.599865386e+00 3.599865386e+00 2.10 3.035033856e+00 3.035033856e+00 2.12 2.509663722e+00 2.509663722e+00 2.14 2.021533951e+00 2.021533951e+00 2.16 1.568477270e+00 1.568477270e+00 2.18 1.148366107e+00 1.148366107e+00 2.20 7.591272126e-01 7.591272126e-01 2.22 3.987656699e-01 3.987656699e-01 2.24 6.538993830e-02 6.538993830e-02 2.26 -2.427675237e-01 -2.427675237e-01 2.28 -5.273370433e-01 -5.273370433e-01 2.30 -7.898052104e-01 -7.898052104e-01 2.32 -1.031519436e+00 -1.031519436e+00 2.34 -1.253695786e+00 -1.253695786e+00 2.36 -1.457429837e+00 -1.457429837e+00 2.38 -1.643706324e+00 -1.643706324e+00 2.40 -1.813411589e+00 -1.813411589e+00 2.42 -1.967353734e+00 -1.967353734e+00 2.44 -2.106291448e+00 -2.106291448e+00 2.46 -2.230966169e+00 -2.230966169e+00 2.48 -2.342136166e+00 -2.342136166e+00 2.50 -2.440602790e+00 -2.440602790e+00 2.52 -2.527226578e+00 -2.527226578e+00 2.54 -2.602934676e+00 -2.602934676e+00 2.56 -2.668719857e+00 -2.668719857e+00 2.58 -2.725628797e+00 -2.725628797e+00 2.60 -2.774789055e+00 -2.774789055e+00 2.62 -2.818283320e+00 -2.818283320e+00 2.64 -2.856902414e+00 -2.856902414e+00 2.66 -2.890909142e+00 -2.890909142e+00 2.68 -2.920548770e+00 -2.920548770e+00 2.70 -2.946013330e+00 -2.946013330e+00 2.72 -2.967433405e+00 -2.967433405e+00 2.74 -2.984889096e+00 -2.984889096e+00 2.76 -2.998428431e+00 -2.998428431e+00 2.78 -3.008085405e+00 -3.008085405e+00 2.80 -3.013906592e+00 -3.013906592e+00 2.82 -3.015945832e+00 -3.015945832e+00 2.84 -3.014252730e+00 -3.014252730e+00 2.86 -3.008874687e+00 -3.008874687e+00 2.88 -2.999860358e+00 -2.999860358e+00 2.90 -2.987264801e+00 -2.987264801e+00 2.92 -2.971156358e+00 -2.971156358e+00 2.94 -2.951625140e+00 -2.951625140e+00 2.96 -2.928792816e+00 -2.928792816e+00 2.98 -2.902822856e+00 -2.902822856e+00 3.00 -2.873929530e+00 -2.873929530e+00 3.02 -2.842383167e+00 -2.842383167e+00 3.04 -2.808508695e+00 -2.808508695e+00 3.06 -2.772676562e+00 -2.772676562e+00 3.08 -2.735283144e+00 -2.735283144e+00 3.10 -2.696727119e+00 -2.696727119e+00 3.12 -2.657383150e+00 -2.657383150e+00 3.14 -2.617580516e+00 -2.617580516e+00 3.16 -2.577587609e+00 -2.577587609e+00 3.18 -2.537607869e+00 -2.537607869e+00 3.20 -2.497783046e+00 -2.497783046e+00 3.22 -2.458202500e+00 -2.458202500e+00 3.24 -2.418915198e+00 -2.418915198e+00 3.26 -2.379941765e+00 -2.379941765e+00 3.28 -2.341288596e+00 -2.341288596e+00 3.30 -2.302957337e+00 -2.302957337e+00 3.32 -2.264928086e+00 -2.264928086e+00 3.34 -2.227179573e+00 -2.227179573e+00 3.36 -2.189692031e+00 -2.189692031e+00 3.38 -2.152447948e+00 -2.152447948e+00 3.40 -2.115432465e+00 -2.115432465e+00 3.42 -2.078633903e+00 -2.078633903e+00 3.44 -2.042043877e+00 -2.042043877e+00 3.46 -2.005657746e+00 -2.005657746e+00 3.48 -1.969474698e+00 -1.969474698e+00 3.50 -1.933496592e+00 -1.933496592e+00 3.52 -1.897719681e+00 -1.897719681e+00 3.54 -1.862139120e+00 -1.862139120e+00 3.56 -1.826754756e+00 -1.826754756e+00 3.58 -1.791570245e+00 -1.791570245e+00 3.60 -1.756592198e+00 -1.756592198e+00 3.62 -1.721829376e+00 -1.721829376e+00 3.64 -1.687291936e+00 -1.687291936e+00 3.66 -1.652990755e+00 -1.652990755e+00 3.68 -1.618936858e+00 -1.618936858e+00 3.70 -1.585140988e+00 -1.585140988e+00 3.72 -1.551613357e+00 -1.551613357e+00 3.74 -1.518363594e+00 -1.518363594e+00 3.76 -1.485400902e+00 -1.485400902e+00 3.78 -1.452734371e+00 -1.452734371e+00 3.80 -1.420373364e+00 -1.420373364e+00 3.82 -1.388327864e+00 -1.388327864e+00 3.84 -1.356608642e+00 -1.356608642e+00 3.86 -1.325227100e+00 -1.325227100e+00 3.88 -1.294194735e+00 -1.294194735e+00 3.90 -1.263522208e+00 -1.263522208e+00 3.92 -1.233218037e+00 -1.233218037e+00 3.94 -1.203287681e+00 -1.203287681e+00 3.96 -1.173731703e+00 -1.173731703e+00 3.98 -1.144545357e+00 -1.144545357e+00 4.00 -1.115718084e+00 -1.115718084e+00 4.02 -1.087233670e+00 -1.087233670e+00 4.04 -1.059070934e+00 -1.059070934e+00 4.06 -1.031204865e+00 -1.031204865e+00 4.08 -1.003608119e+00 -1.003608119e+00 4.10 -9.762524730e-01 -9.762524730e-01 4.12 -9.491120337e-01 -9.491120337e-01 4.14 -9.221632750e-01 -9.221632750e-01 4.16 -8.953885420e-01 -8.953885420e-01 4.18 -8.687776983e-01 -8.687776983e-01 4.20 -8.423299684e-01 -8.423299684e-01 4.22 -8.160554314e-01 -8.160554314e-01 4.24 -7.899759795e-01 -7.899759795e-01 4.26 -7.641255538e-01 -7.641255538e-01 4.28 -7.385495114e-01 -7.385495114e-01 4.30 -7.133030572e-01 -7.133030572e-01 4.32 -6.884487946e-01 -6.884487946e-01 4.34 -6.640535708e-01 -6.640535708e-01 4.36 -6.401849115e-01 -6.401849115e-01 4.38 -6.169073956e-01 -6.169073956e-01 4.40 -5.942793212e-01 -5.942793212e-01 4.42 -5.723499440e-01 -5.723499440e-01 4.44 -5.511574534e-01 -5.511574534e-01 4.46 -5.307277274e-01 -5.307277274e-01 4.48 -5.110738015e-01 -5.110738015e-01 4.50 -4.921959282e-01 -4.921959282e-01 4.52 -4.740820872e-01 -4.740820872e-01 4.54 -4.567088298e-01 -4.567088298e-01 4.56 -4.400423740e-01 -4.400423740e-01 4.58 -4.240398997e-01 -4.240398997e-01 4.60 -4.086510090e-01 -4.086510090e-01 4.62 -3.938193202e-01 -3.938193202e-01 4.64 -3.794841566e-01 -3.794841566e-01 4.66 -3.655822862e-01 -3.655822862e-01 4.68 -3.520496667e-01 -3.520496667e-01 4.70 -3.388231563e-01 -3.388231563e-01 4.72 -3.258421641e-01 -3.258421641e-01 4.74 -3.130502254e-01 -3.130502254e-01 4.76 -3.003964966e-01 -3.003964966e-01 4.78 -2.878371657e-01 -2.878371657e-01 4.80 -2.753365848e-01 -2.753365848e-01 4.82 -2.628692328e-01 -2.628692328e-01 4.84 -2.504195442e-01 -2.504195442e-01 4.86 -2.379835440e-01 -2.379835440e-01 4.88 -2.255690966e-01 -2.255690966e-01 4.90 -2.131959573e-01 -2.131959573e-01 4.92 -2.008953130e-01 -2.008953130e-01 4.94 -1.887087450e-01 -1.887087450e-01 4.96 -1.766865909e-01 -1.766865909e-01 4.98 -1.648857434e-01 -1.648857434e-01 5.00 -1.533669890e-01 -1.533669890e-01 5.02 -1.421920548e-01 -1.421920548e-01 5.04 -1.314205828e-01 -1.314205828e-01 5.06 -1.211072643e-01 -1.211072643e-01 5.08 -1.112993616e-01 -1.112993616e-01 5.10 -1.020347970e-01 -1.020347970e-01 5.12 -9.334092546e-02 -9.334092546e-02 5.14 -8.523402642e-02 -8.523402642e-02 5.16 -7.771947662e-02 -7.771947662e-02 5.18 -7.079250367e-02 -7.079250367e-02 5.20 -6.443938041e-02 -6.443938041e-02 5.22 -5.863890393e-02 -5.863890393e-02 5.24 -5.336400807e-02 -5.336400807e-02 5.26 -4.858337889e-02 -4.858337889e-02 5.28 -4.426297602e-02 -4.426297602e-02 5.30 -4.036735832e-02 -4.036735832e-02 5.32 -3.686083714e-02 -3.686083714e-02 5.34 -3.370839488e-02 -3.370839488e-02 5.36 -3.087634516e-02 -3.087634516e-02 5.38 -2.833210251e-02 -2.833210251e-02 5.40 -2.604621950e-02 -2.604621950e-02 5.42 -2.399189173e-02 -2.399189173e-02 5.44 -2.214460099e-02 -2.214460099e-02 5.46 -2.048212272e-02 -2.048212272e-02 5.48 -1.898436980e-02 -1.898436980e-02 5.50 -1.763331316e-02 -1.763331316e-02 5.52 -1.641284974e-02 -1.641284974e-02 5.54 -1.530864171e-02 -1.530864171e-02 5.56 -1.430794453e-02 -1.430794453e-02 5.58 -1.339943625e-02 -1.339943625e-02 5.60 -1.257305633e-02 -1.257305633e-02 5.62 -1.181985860e-02 -1.181985860e-02 5.64 -1.113188042e-02 -1.113188042e-02 5.66 -1.050202808e-02 -1.050202808e-02 5.68 -9.923977403e-03 -9.923977403e-03 5.70 -9.392087608e-03 -9.392087608e-03 5.72 -8.901326525e-03 -8.901326525e-03 5.74 -8.447205087e-03 -8.447205087e-03 5.76 -8.025719495e-03 -8.025719495e-03 5.78 -7.633299683e-03 -7.633299683e-03 5.80 -7.266763080e-03 -7.266763080e-03 5.82 -6.923272958e-03 -6.923272958e-03 5.84 -6.600300867e-03 -6.600300867e-03 5.86 -6.295592839e-03 -6.295592839e-03 5.88 -6.007139146e-03 -6.007139146e-03 5.90 -5.733147428e-03 -5.733147428e-03 5.92 -5.472019093e-03 -5.472019093e-03 5.94 -5.222328843e-03 -5.222328843e-03 5.96 -4.982807214e-03 -4.982807214e-03 5.98 -4.752325998e-03 -4.752325998e-03 6.00 -4.529886374e-03 -4.529886374e-03