# 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 = AgMo2Zr # 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 3.396441368e+02 3.396441368e+02 1.30 3.150464277e+02 3.150464277e+02 1.32 2.922724653e+02 2.922724653e+02 1.34 2.711684039e+02 2.711684039e+02 1.36 2.515935417e+02 2.515935417e+02 1.38 2.334204833e+02 2.334204833e+02 1.40 2.165350115e+02 2.165350115e+02 1.42 2.008350498e+02 2.008350498e+02 1.44 1.862290697e+02 1.862290697e+02 1.46 1.726346917e+02 1.726346917e+02 1.48 1.599777689e+02 1.599777689e+02 1.50 1.481916465e+02 1.481916465e+02 1.52 1.372163346e+02 1.372163346e+02 1.54 1.269975828e+02 1.269975828e+02 1.56 1.174860270e+02 1.174860270e+02 1.58 1.086364457e+02 1.086364457e+02 1.60 1.004069250e+02 1.004069250e+02 1.62 9.275787676e+01 9.275787676e+01 1.64 8.565114844e+01 8.565114844e+01 1.66 7.904950859e+01 7.904950859e+01 1.68 7.291662797e+01 7.291662797e+01 1.70 6.721749098e+01 6.721749098e+01 1.72 6.191892328e+01 6.191892328e+01 1.74 5.699003281e+01 5.699003281e+01 1.76 5.240243240e+01 5.240243240e+01 1.78 4.813028058e+01 4.813028058e+01 1.80 4.415017044e+01 4.415017044e+01 1.82 4.044095715e+01 4.044095715e+01 1.84 3.698350953e+01 3.698350953e+01 1.86 3.376077601e+01 3.376077601e+01 1.88 3.075793857e+01 3.075793857e+01 1.90 2.796436583e+01 2.796436583e+01 1.92 2.536860087e+01 2.536860087e+01 1.94 2.295837104e+01 2.295837104e+01 1.96 2.072173464e+01 2.072173464e+01 1.98 1.864732278e+01 1.864732278e+01 2.00 1.672427373e+01 1.672427373e+01 2.02 1.494220516e+01 1.494220516e+01 2.04 1.329119220e+01 1.329119220e+01 2.06 1.176173687e+01 1.176173687e+01 2.08 1.034473923e+01 1.034473923e+01 2.10 9.031500323e+00 9.031500323e+00 2.12 7.813777876e+00 7.813777876e+00 2.14 6.683878084e+00 6.683878084e+00 2.16 5.634765505e+00 5.634765505e+00 2.18 4.660130049e+00 4.660130049e+00 2.20 3.754396556e+00 3.754396556e+00 2.22 2.912659468e+00 2.912659468e+00 2.24 2.130587754e+00 2.130587754e+00 2.26 1.404325937e+00 1.404325937e+00 2.28 7.304017576e-01 7.304017576e-01 2.30 1.056693911e-01 1.056693911e-01 2.32 -4.727690309e-01 -4.727690309e-01 2.34 -1.007592857e+00 -1.007592857e+00 2.36 -1.501321977e+00 -1.501321977e+00 2.38 -1.956347556e+00 -1.956347556e+00 2.40 -2.374956429e+00 -2.374956429e+00 2.42 -2.759349907e+00 -2.759349907e+00 2.44 -3.111647294e+00 -3.111647294e+00 2.46 -3.433889226e+00 -3.433889226e+00 2.48 -3.728029240e+00 -3.728029240e+00 2.50 -3.995920343e+00 -3.995920343e+00 2.52 -4.239298925e+00 -4.239298925e+00 2.54 -4.459770052e+00 -4.459770052e+00 2.56 -4.658798294e+00 -4.658798294e+00 2.58 -4.837707402e+00 -4.837707402e+00 2.60 -4.997690030e+00 -4.997690030e+00 2.62 -5.139823046e+00 -5.139823046e+00 2.64 -5.265098463e+00 -5.265098463e+00 2.66 -5.374448609e+00 -5.374448609e+00 2.68 -5.468774711e+00 -5.468774711e+00 2.70 -5.548839967e+00 -5.548839967e+00 2.72 -5.615298813e+00 -5.615298813e+00 2.74 -5.668705615e+00 -5.668705615e+00 2.76 -5.710007694e+00 -5.710007694e+00 2.78 -5.740146222e+00 -5.740146222e+00 2.80 -5.760033329e+00 -5.760033329e+00 2.82 -5.770543118e+00 -5.770543118e+00 2.84 -5.772453236e+00 -5.772453236e+00 2.86 -5.766432970e+00 -5.766432970e+00 2.88 -5.753108660e+00 -5.753108660e+00 2.90 -5.732719516e+00 -5.732719516e+00 2.92 -5.705337204e+00 -5.705337204e+00 2.94 -5.671115506e+00 -5.671115506e+00 2.96 -5.630285201e+00 -5.630285201e+00 2.98 -5.583142859e+00 -5.583142859e+00 3.00 -5.530036311e+00 -5.530036311e+00 3.02 -5.471346990e+00 -5.471346990e+00 3.04 -5.407468713e+00 -5.407468713e+00 3.06 -5.338794991e+00 -5.338794991e+00 3.08 -5.265690499e+00 -5.265690499e+00 3.10 -5.188485616e+00 -5.188485616e+00 3.12 -5.107463300e+00 -5.107463300e+00 3.14 -5.022868847e+00 -5.022868847e+00 3.16 -4.934893628e+00 -4.934893628e+00 3.18 -4.843719928e+00 -4.843719928e+00 3.20 -4.749590499e+00 -4.749590499e+00 3.22 -4.652507432e+00 -4.652507432e+00 3.24 -4.552453930e+00 -4.552453930e+00 3.26 -4.449451156e+00 -4.449451156e+00 3.28 -4.343570825e+00 -4.343570825e+00 3.30 -4.234945411e+00 -4.234945411e+00 3.32 -4.123779005e+00 -4.123779005e+00 3.34 -4.010363608e+00 -4.010363608e+00 3.36 -3.895062356e+00 -3.895062356e+00 3.38 -3.778299975e+00 -3.778299975e+00 3.40 -3.660555841e+00 -3.660555841e+00 3.42 -3.542360303e+00 -3.542360303e+00 3.44 -3.424277196e+00 -3.424277196e+00 3.46 -3.306894483e+00 -3.306894483e+00 3.48 -3.190805135e+00 -3.190805135e+00 3.50 -3.076586473e+00 -3.076586473e+00 3.52 -2.964778498e+00 -2.964778498e+00 3.54 -2.855863507e+00 -2.855863507e+00 3.56 -2.750249280e+00 -2.750249280e+00 3.58 -2.648257513e+00 -2.648257513e+00 3.60 -2.550118347e+00 -2.550118347e+00 3.62 -2.455970963e+00 -2.455970963e+00 3.64 -2.365869461e+00 -2.365869461e+00 3.66 -2.279792776e+00 -2.279792776e+00 3.68 -2.197657236e+00 -2.197657236e+00 3.70 -2.119330374e+00 -2.119330374e+00 3.72 -2.044644861e+00 -2.044644861e+00 3.74 -1.973411654e+00 -1.973411654e+00 3.76 -1.905431758e+00 -1.905431758e+00 3.78 -1.840506166e+00 -1.840506166e+00 3.80 -1.778443707e+00 -1.778443707e+00 3.82 -1.719066632e+00 -1.719066632e+00 3.84 -1.662213819e+00 -1.662213819e+00 3.86 -1.607741671e+00 -1.607741671e+00 3.88 -1.555522907e+00 -1.555522907e+00 3.90 -1.505443748e+00 -1.505443748e+00 3.92 -1.457398662e+00 -1.457398662e+00 3.94 -1.411292756e+00 -1.411292756e+00 3.96 -1.367028569e+00 -1.367028569e+00 3.98 -1.324510904e+00 -1.324510904e+00 4.00 -1.283644085e+00 -1.283644085e+00 4.02 -1.244332249e+00 -1.244332249e+00 4.04 -1.206480461e+00 -1.206480461e+00 4.06 -1.169996241e+00 -1.169996241e+00 4.08 -1.134791140e+00 -1.134791140e+00 4.10 -1.100776829e+00 -1.100776829e+00 4.12 -1.067888193e+00 -1.067888193e+00 4.14 -1.036049140e+00 -1.036049140e+00 4.16 -1.005197450e+00 -1.005197450e+00 4.18 -9.752782863e-01 -9.752782863e-01 4.20 -9.462440210e-01 -9.462440210e-01 4.22 -9.180539041e-01 -9.180539041e-01 4.24 -8.906735967e-01 -8.906735967e-01 4.26 -8.640745828e-01 -8.640745828e-01 4.28 -8.382334616e-01 -8.382334616e-01 4.30 -8.131311243e-01 -8.131311243e-01 4.32 -7.887518299e-01 -7.887518299e-01 4.34 -7.650822122e-01 -7.650822122e-01 4.36 -7.421102697e-01 -7.421102697e-01 4.38 -7.198244025e-01 -7.198244025e-01 4.40 -6.982125636e-01 -6.982125636e-01 4.42 -6.772615887e-01 -6.772615887e-01 4.44 -6.569567409e-01 -6.569567409e-01 4.46 -6.372814848e-01 -6.372814848e-01 4.48 -6.182172800e-01 -6.182172800e-01 4.50 -5.997441520e-01 -5.997441520e-01 4.52 -5.818409426e-01 -5.818409426e-01 4.54 -5.644854425e-01 -5.644854425e-01 4.56 -5.476548132e-01 -5.476548132e-01 4.58 -5.313259865e-01 -5.313259865e-01 4.60 -5.154760193e-01 -5.154760193e-01 4.62 -5.000823884e-01 -5.000823884e-01 4.64 -4.851232271e-01 -4.851232271e-01 4.66 -4.705775087e-01 -4.705775087e-01 4.68 -4.564251880e-01 -4.564251880e-01 4.70 -4.426473141e-01 -4.426473141e-01 4.72 -4.292261262e-01 -4.292261262e-01 4.74 -4.161451429e-01 -4.161451429e-01 4.76 -4.033892522e-01 -4.033892522e-01 4.78 -3.909448063e-01 -3.909448063e-01 4.80 -3.787965426e-01 -3.787965426e-01 4.82 -3.669409342e-01 -3.669409342e-01 4.84 -3.553654928e-01 -3.553654928e-01 4.86 -3.440633768e-01 -3.440633768e-01 4.88 -3.330295853e-01 -3.330295853e-01 4.90 -3.222609335e-01 -3.222609335e-01 4.92 -3.117559572e-01 -3.117559572e-01 4.94 -3.015147358e-01 -3.015147358e-01 4.96 -2.915386291e-01 -2.915386291e-01 4.98 -2.818299302e-01 -2.818299302e-01 5.00 -2.723914503e-01 -2.723914503e-01 5.02 -2.632260577e-01 -2.632260577e-01 5.04 -2.543362051e-01 -2.543362051e-01 5.06 -2.457234802e-01 -2.457234802e-01 5.08 -2.373882169e-01 -2.373882169e-01 5.10 -2.293291982e-01 -2.293291982e-01 5.12 -2.215434719e-01 -2.215434719e-01 5.14 -2.140262906e-01 -2.140262906e-01 5.16 -2.067711717e-01 -2.067711717e-01 5.18 -1.997700670e-01 -1.997700670e-01 5.20 -1.930136195e-01 -1.930136195e-01 5.22 -1.864914840e-01 -1.864914840e-01 5.24 -1.801926848e-01 -1.801926848e-01 5.26 -1.741059872e-01 -1.741059872e-01 5.28 -1.682202613e-01 -1.682202613e-01 5.30 -1.625248221e-01 -1.625248221e-01 5.32 -1.570097296e-01 -1.570097296e-01 5.34 -1.516660396e-01 -1.516660396e-01 5.36 -1.464859940e-01 -1.464859940e-01 5.38 -1.414631437e-01 -1.414631437e-01 5.40 -1.365923952e-01 -1.365923952e-01 5.42 -1.318699798e-01 -1.318699798e-01 5.44 -1.272933423e-01 -1.272933423e-01 5.46 -1.228609563e-01 -1.228609563e-01 5.48 -1.185720757e-01 -1.185720757e-01 5.50 -1.144264415e-01 -1.144264415e-01 5.52 -1.104239672e-01 -1.104239672e-01 5.54 -1.065644277e-01 -1.065644277e-01 5.56 -1.028471793e-01 -1.028471793e-01 5.58 -9.927093138e-02 -9.927093138e-02 5.60 -9.583345981e-02 -9.583345981e-02 5.62 -9.253171269e-02 -9.253171269e-02 5.64 -8.936191908e-02 -8.936191908e-02 5.66 -8.631941532e-02 -8.631941532e-02 5.68 -8.339875550e-02 -8.339875550e-02 5.70 -8.059385522e-02 -8.059385522e-02 5.72 -7.789815044e-02 -7.789815044e-02 5.74 -7.530475615e-02 -7.530475615e-02 5.76 -7.280661359e-02 -7.280661359e-02 5.78 -7.039661852e-02 -7.039661852e-02 5.80 -6.806772670e-02 -6.806772670e-02 5.82 -6.581303620e-02 -6.581303620e-02 5.84 -6.362584812e-02 -6.362584812e-02 5.86 -6.149970886e-02 -6.149970886e-02 5.88 -5.942843810e-02 -5.942843810e-02 5.90 -5.740614671e-02 -5.740614671e-02 5.92 -5.542724877e-02 -5.542724877e-02 5.94 -5.348647174e-02 -5.348647174e-02 5.96 -5.157886801e-02 -5.157886801e-02 5.98 -4.969983066e-02 -4.969983066e-02 6.00 -4.784511742e-02 -4.784511742e-02