# 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 = AgMg2Ni # 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 2.737986261e+02 2.737986261e+02 1.30 2.531181303e+02 2.531181303e+02 1.32 2.340272320e+02 2.340272320e+02 1.34 2.163939409e+02 2.163939409e+02 1.36 2.000988981e+02 2.000988981e+02 1.38 1.850350543e+02 1.850350543e+02 1.40 1.711059619e+02 1.711059619e+02 1.42 1.582236424e+02 1.582236424e+02 1.44 1.463068974e+02 1.463068974e+02 1.46 1.352802842e+02 1.352802842e+02 1.48 1.250737219e+02 1.250737219e+02 1.50 1.156225340e+02 1.156225340e+02 1.52 1.068675894e+02 1.068675894e+02 1.54 9.875519735e+01 9.875519735e+01 1.56 9.123663216e+01 9.123663216e+01 1.58 8.426765352e+01 8.426765352e+01 1.60 7.780858901e+01 7.780858901e+01 1.62 7.182157473e+01 7.182157473e+01 1.64 6.627173036e+01 6.627173036e+01 1.66 6.112683601e+01 6.112683601e+01 1.68 5.635709043e+01 5.635709043e+01 1.70 5.193491804e+01 5.193491804e+01 1.72 4.783479780e+01 4.783479780e+01 1.74 4.403308216e+01 4.403308216e+01 1.76 4.050781592e+01 4.050781592e+01 1.78 3.723861712e+01 3.723861712e+01 1.80 3.420663658e+01 3.420663658e+01 1.82 3.139455698e+01 3.139455698e+01 1.84 2.878654791e+01 2.878654791e+01 1.86 2.636814920e+01 2.636814920e+01 1.88 2.412608121e+01 2.412608121e+01 1.90 2.204803800e+01 2.204803800e+01 1.92 2.012250963e+01 2.012250963e+01 1.94 1.833866525e+01 1.833866525e+01 1.96 1.668630574e+01 1.668630574e+01 1.98 1.515587465e+01 1.515587465e+01 2.00 1.373849044e+01 1.373849044e+01 2.02 1.242596209e+01 1.242596209e+01 2.04 1.121077165e+01 1.121077165e+01 2.06 1.008602421e+01 1.008602421e+01 2.08 9.045378172e+00 9.045378172e+00 2.10 8.082975421e+00 8.082975421e+00 2.12 7.193382540e+00 7.193382540e+00 2.14 6.371547300e+00 6.371547300e+00 2.16 5.612766980e+00 5.612766980e+00 2.18 4.912658564e+00 4.912658564e+00 2.20 4.267130294e+00 4.267130294e+00 2.22 3.672351520e+00 3.672351520e+00 2.24 3.124728766e+00 3.124728766e+00 2.26 2.620888614e+00 2.620888614e+00 2.28 2.157663234e+00 2.157663234e+00 2.30 1.732080577e+00 1.732080577e+00 2.32 1.341347777e+00 1.341347777e+00 2.34 9.828448080e-01 9.828448080e-01 2.36 6.541221483e-01 6.541221483e-01 2.38 3.529106563e-01 3.529106563e-01 2.40 7.713144171e-02 7.713144171e-02 2.42 -1.751080102e-01 -1.751080102e-01 2.44 -4.055267852e-01 -4.055267852e-01 2.46 -6.156951159e-01 -6.156951159e-01 2.48 -8.070603954e-01 -8.070603954e-01 2.50 -9.809693606e-01 -9.809693606e-01 2.52 -1.138646806e+00 -1.138646806e+00 2.54 -1.281125124e+00 -1.281125124e+00 2.56 -1.409377235e+00 -1.409377235e+00 2.58 -1.524348186e+00 -1.524348186e+00 2.60 -1.626951547e+00 -1.626951547e+00 2.62 -1.718064687e+00 -1.718064687e+00 2.64 -1.798525221e+00 -1.798525221e+00 2.66 -1.869125624e+00 -1.869125624e+00 2.68 -1.930698752e+00 -1.930698752e+00 2.70 -1.983934383e+00 -1.983934383e+00 2.72 -2.029393836e+00 -2.029393836e+00 2.74 -2.067629088e+00 -2.067629088e+00 2.76 -2.099179839e+00 -2.099179839e+00 2.78 -2.124566911e+00 -2.124566911e+00 2.80 -2.144284629e+00 -2.144284629e+00 2.82 -2.158791213e+00 -2.158791213e+00 2.84 -2.168508144e+00 -2.168508144e+00 2.86 -2.173822929e+00 -2.173822929e+00 2.88 -2.175085261e+00 -2.175085261e+00 2.90 -2.172612171e+00 -2.172612171e+00 2.92 -2.166695041e+00 -2.166695041e+00 2.94 -2.157606078e+00 -2.157606078e+00 2.96 -2.145603701e+00 -2.145603701e+00 2.98 -2.130936711e+00 -2.130936711e+00 3.00 -2.113847262e+00 -2.113847262e+00 3.02 -2.094572627e+00 -2.094572627e+00 3.04 -2.073345421e+00 -2.073345421e+00 3.06 -2.050393818e+00 -2.050393818e+00 3.08 -2.025943408e+00 -2.025943408e+00 3.10 -2.000237566e+00 -2.000237566e+00 3.12 -1.973444287e+00 -1.973444287e+00 3.14 -1.945711744e+00 -1.945711744e+00 3.16 -1.917176169e+00 -1.917176169e+00 3.18 -1.887962531e+00 -1.887962531e+00 3.20 -1.858184326e+00 -1.858184326e+00 3.22 -1.827945043e+00 -1.827945043e+00 3.24 -1.797339932e+00 -1.797339932e+00 3.26 -1.766438104e+00 -1.766438104e+00 3.28 -1.735262748e+00 -1.735262748e+00 3.30 -1.703840930e+00 -1.703840930e+00 3.32 -1.672208066e+00 -1.672208066e+00 3.34 -1.640404725e+00 -1.640404725e+00 3.36 -1.608473434e+00 -1.608473434e+00 3.38 -1.576456003e+00 -1.576456003e+00 3.40 -1.544391626e+00 -1.544391626e+00 3.42 -1.512316344e+00 -1.512316344e+00 3.44 -1.480262410e+00 -1.480262410e+00 3.46 -1.448259050e+00 -1.448259050e+00 3.48 -1.416332924e+00 -1.416332924e+00 3.50 -1.384508658e+00 -1.384508658e+00 3.52 -1.352809256e+00 -1.352809256e+00 3.54 -1.321256356e+00 -1.321256356e+00 3.56 -1.289870370e+00 -1.289870370e+00 3.58 -1.258670545e+00 -1.258670545e+00 3.60 -1.227674981e+00 -1.227674981e+00 3.62 -1.196900665e+00 -1.196900665e+00 3.64 -1.166363545e+00 -1.166363545e+00 3.66 -1.136078692e+00 -1.136078692e+00 3.68 -1.106060593e+00 -1.106060593e+00 3.70 -1.076323607e+00 -1.076323607e+00 3.72 -1.046882598e+00 -1.046882598e+00 3.74 -1.017753729e+00 -1.017753729e+00 3.76 -9.889553629e-01 -9.889553629e-01 3.78 -9.605089341e-01 -9.605089341e-01 3.80 -9.324396432e-01 -9.324396432e-01 3.82 -9.047767674e-01 -9.047767674e-01 3.84 -8.775534033e-01 -8.775534033e-01 3.86 -8.508055163e-01 -8.508055163e-01 3.88 -8.245702915e-01 -8.245702915e-01 3.90 -7.988839274e-01 -7.988839274e-01 3.92 -7.737789686e-01 -7.737789686e-01 3.94 -7.492827338e-01 -7.492827338e-01 3.96 -7.254141393e-01 -7.254141393e-01 3.98 -7.021834341e-01 -7.021834341e-01 4.00 -6.795916539e-01 -6.795916539e-01 4.02 -6.576311226e-01 -6.576311226e-01 4.04 -6.362865823e-01 -6.362865823e-01 4.06 -6.155367110e-01 -6.155367110e-01 4.08 -5.953557888e-01 -5.953557888e-01 4.10 -5.757147452e-01 -5.757147452e-01 4.12 -5.565850414e-01 -5.565850414e-01 4.14 -5.379360669e-01 -5.379360669e-01 4.16 -5.197388550e-01 -5.197388550e-01 4.18 -5.019661559e-01 -5.019661559e-01 4.20 -4.845930646e-01 -4.845930646e-01 4.22 -4.675975193e-01 -4.675975193e-01 4.24 -4.509606972e-01 -4.509606972e-01 4.26 -4.346673288e-01 -4.346673288e-01 4.28 -4.187059373e-01 -4.187059373e-01 4.30 -4.030690062e-01 -4.030690062e-01 4.32 -3.877530693e-01 -3.877530693e-01 4.34 -3.727587160e-01 -3.727587160e-01 4.36 -3.580904999e-01 -3.580904999e-01 4.38 -3.437567341e-01 -3.437567341e-01 4.40 -3.297691466e-01 -3.297691466e-01 4.42 -3.161423683e-01 -3.161423683e-01 4.44 -3.028932227e-01 -3.028932227e-01 4.46 -2.900398067e-01 -2.900398067e-01 4.48 -2.776003739e-01 -2.776003739e-01 4.50 -2.655920754e-01 -2.655920754e-01 4.52 -2.540296518e-01 -2.540296518e-01 4.54 -2.429242006e-01 -2.429242006e-01 4.56 -2.322821532e-01 -2.322821532e-01 4.58 -2.221045734e-01 -2.221045734e-01 4.60 -2.123868547e-01 -2.123868547e-01 4.62 -2.031188306e-01 -2.031188306e-01 4.64 -1.942852630e-01 -1.942852630e-01 4.66 -1.858666294e-01 -1.858666294e-01 4.68 -1.778401044e-01 -1.778401044e-01 4.70 -1.701806304e-01 -1.701806304e-01 4.72 -1.628619842e-01 -1.628619842e-01 4.74 -1.558577691e-01 -1.558577691e-01 4.76 -1.491422870e-01 -1.491422870e-01 4.78 -1.426912677e-01 -1.426912677e-01 4.80 -1.364820561e-01 -1.364820561e-01 4.82 -1.304957045e-01 -1.304957045e-01 4.84 -1.247146849e-01 -1.247146849e-01 4.86 -1.191248940e-01 -1.191248940e-01 4.88 -1.137152434e-01 -1.137152434e-01 4.90 -1.084776203e-01 -1.084776203e-01 4.92 -1.034067394e-01 -1.034067394e-01 4.94 -9.849988997e-02 -9.849988997e-02 4.96 -9.375658159e-02 -9.375658159e-02 4.98 -8.917810163e-02 -8.917810163e-02 5.00 -8.476700308e-02 -8.476700308e-02 5.02 -8.052655057e-02 -8.052655057e-02 5.04 -7.646016423e-02 -7.646016423e-02 5.06 -7.257087222e-02 -7.257087222e-02 5.08 -6.886085042e-02 -6.886085042e-02 5.10 -6.533105788e-02 -6.533105788e-02 5.12 -6.198098579e-02 -6.198098579e-02 5.14 -5.880853332e-02 -5.880853332e-02 5.16 -5.581000657e-02 -5.581000657e-02 5.18 -5.298022590e-02 -5.298022590e-02 5.20 -5.031205750e-02 -5.031205750e-02 5.22 -4.779777757e-02 -4.779777757e-02 5.24 -4.542959233e-02 -4.542959233e-02 5.26 -4.319909299e-02 -4.319909299e-02 5.28 -4.109757723e-02 -4.109757723e-02 5.30 -3.911633539e-02 -3.911633539e-02 5.32 -3.724689183e-02 -3.724689183e-02 5.34 -3.548119638e-02 -3.548119638e-02 5.36 -3.381176479e-02 -3.381176479e-02 5.38 -3.223176900e-02 -3.223176900e-02 5.40 -3.073508096e-02 -3.073508096e-02 5.42 -2.931627433e-02 -2.931627433e-02 5.44 -2.797058962e-02 -2.797058962e-02 5.46 -2.669386968e-02 -2.669386968e-02 5.48 -2.548247351e-02 -2.548247351e-02 5.50 -2.433317674e-02 -2.433317674e-02 5.52 -2.324306813e-02 -2.324306813e-02 5.54 -2.220945029e-02 -2.220945029e-02 5.56 -2.122975224e-02 -2.122975224e-02 5.58 -2.030145910e-02 -2.030145910e-02 5.60 -1.942206202e-02 -1.942206202e-02 5.62 -1.858902891e-02 -1.858902891e-02 5.64 -1.779979415e-02 -1.779979415e-02 5.66 -1.705176400e-02 -1.705176400e-02 5.68 -1.634233331e-02 -1.634233331e-02 5.70 -1.566890903e-02 -1.566890903e-02 5.72 -1.502893633e-02 -1.502893633e-02 5.74 -1.441992359e-02 -1.441992359e-02 5.76 -1.383943117e-02 -1.383943117e-02 5.78 -1.328514415e-02 -1.328514415e-02 5.80 -1.275488775e-02 -1.275488775e-02 5.82 -1.224661087e-02 -1.224661087e-02 5.84 -1.175839000e-02 -1.175839000e-02 5.86 -1.128842977e-02 -1.128842977e-02 5.88 -1.083506092e-02 -1.083506092e-02 5.90 -1.039673676e-02 -1.039673676e-02 5.92 -9.972028978e-03 -9.972028978e-03 5.94 -9.559623522e-03 -9.559623522e-03 5.96 -9.158317227e-03 -9.158317227e-03 5.98 -8.767015651e-03 -8.767015651e-03 6.00 -8.384732446e-03 -8.384732446e-03