# 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 = AgMgTi2 # 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 3.217156671e+02 3.217156671e+02 1.30 2.981886005e+02 2.981886005e+02 1.32 2.764239517e+02 2.764239517e+02 1.34 2.562784641e+02 2.562784641e+02 1.36 2.376213727e+02 2.376213727e+02 1.38 2.203343270e+02 2.203343270e+02 1.40 2.043099151e+02 2.043099151e+02 1.42 1.894498480e+02 1.894498480e+02 1.44 1.756639408e+02 1.756639408e+02 1.46 1.628697942e+02 1.628697942e+02 1.48 1.509923853e+02 1.509923853e+02 1.50 1.399633015e+02 1.399633015e+02 1.52 1.297198321e+02 1.297198321e+02 1.54 1.202041745e+02 1.202041745e+02 1.56 1.113629437e+02 1.113629437e+02 1.58 1.031469097e+02 1.031469097e+02 1.60 9.551072012e+01 9.551072012e+01 1.62 8.841254138e+01 8.841254138e+01 1.64 8.181367837e+01 8.181367837e+01 1.66 7.567816773e+01 7.567816773e+01 1.68 6.997239418e+01 6.997239418e+01 1.70 6.466489802e+01 6.466489802e+01 1.72 5.972646001e+01 5.972646001e+01 1.74 5.513058873e+01 5.513058873e+01 1.76 5.085304026e+01 5.085304026e+01 1.78 4.687249567e+01 4.687249567e+01 1.80 4.316887460e+01 4.316887460e+01 1.82 3.972327806e+01 3.972327806e+01 1.84 3.651822249e+01 3.651822249e+01 1.86 3.353748659e+01 3.353748659e+01 1.88 3.076595086e+01 3.076595086e+01 1.90 2.818943458e+01 2.818943458e+01 1.92 2.579455905e+01 2.579455905e+01 1.94 2.356868101e+01 2.356868101e+01 1.96 2.149991341e+01 2.149991341e+01 1.98 1.957720081e+01 1.957720081e+01 2.00 1.779036510e+01 1.779036510e+01 2.02 1.613006334e+01 1.613006334e+01 2.04 1.458767741e+01 1.458767741e+01 2.06 1.315520015e+01 1.315520015e+01 2.08 1.182516642e+01 1.182516642e+01 2.10 1.059063042e+01 1.059063042e+01 2.12 9.445157296e+00 9.445157296e+00 2.14 8.382797927e+00 8.382797927e+00 2.16 7.398042098e+00 7.398042098e+00 2.18 6.485758289e+00 6.485758289e+00 2.20 5.641134688e+00 5.641134688e+00 2.22 4.859626798e+00 4.859626798e+00 2.24 4.136920713e+00 4.136920713e+00 2.26 3.468916608e+00 3.468916608e+00 2.28 2.851732502e+00 2.851732502e+00 2.30 2.281724605e+00 2.281724605e+00 2.32 1.755507816e+00 1.755507816e+00 2.34 1.269973147e+00 1.269973147e+00 2.36 8.222876061e-01 8.222876061e-01 2.38 4.098777021e-01 4.098777021e-01 2.40 3.039625128e-02 3.039625128e-02 2.42 -3.183198475e-01 -3.183198475e-01 2.44 -6.382892331e-01 -6.382892331e-01 2.46 -9.314177741e-01 -9.314177741e-01 2.48 -1.199518069e+00 -1.199518069e+00 2.50 -1.444318300e+00 -1.444318300e+00 2.52 -1.667462782e+00 -1.667462782e+00 2.54 -1.870507454e+00 -1.870507454e+00 2.56 -2.054915863e+00 -2.054915863e+00 2.58 -2.222155241e+00 -2.222155241e+00 2.60 -2.373449472e+00 -2.373449472e+00 2.62 -2.509856014e+00 -2.509856014e+00 2.64 -2.632374182e+00 -2.632374182e+00 2.66 -2.741943175e+00 -2.741943175e+00 2.68 -2.839442817e+00 -2.839442817e+00 2.70 -2.925694327e+00 -2.925694327e+00 2.72 -3.001460321e+00 -3.001460321e+00 2.74 -3.067337781e+00 -3.067337781e+00 2.76 -3.123753234e+00 -3.123753234e+00 2.78 -3.171138340e+00 -3.171138340e+00 2.80 -3.209937164e+00 -3.209937164e+00 2.82 -3.240600152e+00 -3.240600152e+00 2.84 -3.263582011e+00 -3.263582011e+00 2.86 -3.279340161e+00 -3.279340161e+00 2.88 -3.288334295e+00 -3.288334295e+00 2.90 -3.291025932e+00 -3.291025932e+00 2.92 -3.287877390e+00 -3.287877390e+00 2.94 -3.279350200e+00 -3.279350200e+00 2.96 -3.265903519e+00 -3.265903519e+00 2.98 -3.247992991e+00 -3.247992991e+00 3.00 -3.226138764e+00 -3.226138764e+00 3.02 -3.200796530e+00 -3.200796530e+00 3.04 -3.172300753e+00 -3.172300753e+00 3.06 -3.140985901e+00 -3.140985901e+00 3.08 -3.107173691e+00 -3.107173691e+00 3.10 -3.071162766e+00 -3.071162766e+00 3.12 -3.033220090e+00 -3.033220090e+00 3.14 -2.993578630e+00 -2.993578630e+00 3.16 -2.952437818e+00 -2.952437818e+00 3.18 -2.909974007e+00 -2.909974007e+00 3.20 -2.866342210e+00 -2.866342210e+00 3.22 -2.821679270e+00 -2.821679270e+00 3.24 -2.776109418e+00 -2.776109418e+00 3.26 -2.729748317e+00 -2.729748317e+00 3.28 -2.682705570e+00 -2.682705570e+00 3.30 -2.635085902e+00 -2.635085902e+00 3.32 -2.586989365e+00 -2.586989365e+00 3.34 -2.538511001e+00 -2.538511001e+00 3.36 -2.489740462e+00 -2.489740462e+00 3.38 -2.440762026e+00 -2.440762026e+00 3.40 -2.391655291e+00 -2.391655291e+00 3.42 -2.342499029e+00 -2.342499029e+00 3.44 -2.293383928e+00 -2.293383928e+00 3.46 -2.244378541e+00 -2.244378541e+00 3.48 -2.195553029e+00 -2.195553029e+00 3.50 -2.146986792e+00 -2.146986792e+00 3.52 -2.098768542e+00 -2.098768542e+00 3.54 -2.050994468e+00 -2.050994468e+00 3.56 -2.003764308e+00 -2.003764308e+00 3.58 -1.957175706e+00 -1.957175706e+00 3.60 -1.911317558e+00 -1.911317558e+00 3.62 -1.866254861e+00 -1.866254861e+00 3.64 -1.822019455e+00 -1.822019455e+00 3.66 -1.778625927e+00 -1.778625927e+00 3.68 -1.736073319e+00 -1.736073319e+00 3.70 -1.694347285e+00 -1.694347285e+00 3.72 -1.653423521e+00 -1.653423521e+00 3.74 -1.613271629e+00 -1.613271629e+00 3.76 -1.573858750e+00 -1.573858750e+00 3.78 -1.535152552e+00 -1.535152552e+00 3.80 -1.497123434e+00 -1.497123434e+00 3.82 -1.459745937e+00 -1.459745937e+00 3.84 -1.422999459e+00 -1.422999459e+00 3.86 -1.386868404e+00 -1.386868404e+00 3.88 -1.351341893e+00 -1.351341893e+00 3.90 -1.316413167e+00 -1.316413167e+00 3.92 -1.282078666e+00 -1.282078666e+00 3.94 -1.248337734e+00 -1.248337734e+00 3.96 -1.215190863e+00 -1.215190863e+00 3.98 -1.182639560e+00 -1.182639560e+00 4.00 -1.150685541e+00 -1.150685541e+00 4.02 -1.119330238e+00 -1.119330238e+00 4.04 -1.088574455e+00 -1.088574455e+00 4.06 -1.058418160e+00 -1.058418160e+00 4.08 -1.028860396e+00 -1.028860396e+00 4.10 -9.998988667e-01 -9.998988667e-01 4.12 -9.715318055e-01 -9.715318055e-01 4.14 -9.437553372e-01 -9.437553372e-01 4.16 -9.165656714e-01 -9.165656714e-01 4.18 -8.899588301e-01 -8.899588301e-01 4.20 -8.639309178e-01 -8.639309178e-01 4.22 -8.384783809e-01 -8.384783809e-01 4.24 -8.135982263e-01 -8.135982263e-01 4.26 -7.892881689e-01 -7.892881689e-01 4.28 -7.655466760e-01 -7.655466760e-01 4.30 -7.423728875e-01 -7.423728875e-01 4.32 -7.197664040e-01 -7.197664040e-01 4.34 -6.977269495e-01 -6.977269495e-01 4.36 -6.762539402e-01 -6.762539402e-01 4.38 -6.553460024e-01 -6.553460024e-01 4.40 -6.350004974e-01 -6.350004974e-01 4.42 -6.152131057e-01 -6.152131057e-01 4.44 -5.959775191e-01 -5.959775191e-01 4.46 -5.772852664e-01 -5.772852664e-01 4.48 -5.591256810e-01 -5.591256810e-01 4.50 -5.414859970e-01 -5.414859970e-01 4.52 -5.243515492e-01 -5.243515492e-01 4.54 -5.077060414e-01 -5.077060414e-01 4.56 -4.915318519e-01 -4.915318519e-01 4.58 -4.758103467e-01 -4.758103467e-01 4.60 -4.605221812e-01 -4.605221812e-01 4.62 -4.456475790e-01 -4.456475790e-01 4.64 -4.311665851e-01 -4.311665851e-01 4.66 -4.170592975e-01 -4.170592975e-01 4.68 -4.033060843e-01 -4.033060843e-01 4.70 -3.898877971e-01 -3.898877971e-01 4.72 -3.767859915e-01 -3.767859915e-01 4.74 -3.639831639e-01 -3.639831639e-01 4.76 -3.514630136e-01 -3.514630136e-01 4.78 -3.392107332e-01 -3.392107332e-01 4.80 -3.272130685e-01 -3.272130685e-01 4.82 -3.154597432e-01 -3.154597432e-01 4.84 -3.039421102e-01 -3.039421102e-01 4.86 -2.926546772e-01 -2.926546772e-01 4.88 -2.815950863e-01 -2.815950863e-01 4.90 -2.707643235e-01 -2.707643235e-01 4.92 -2.601668027e-01 -2.601668027e-01 4.94 -2.498102804e-01 -2.498102804e-01 4.96 -2.397055639e-01 -2.397055639e-01 4.98 -2.298659933e-01 -2.298659933e-01 5.00 -2.203066989e-01 -2.203066989e-01 5.02 -2.110436655e-01 -2.110436655e-01 5.04 -2.020926669e-01 -2.020926669e-01 5.06 -1.934681556e-01 -1.934681556e-01 5.08 -1.851822124e-01 -1.851822124e-01 5.10 -1.772436531e-01 -1.772436531e-01 5.12 -1.696573761e-01 -1.696573761e-01 5.14 -1.624240019e-01 -1.624240019e-01 5.16 -1.555398165e-01 -1.555398165e-01 5.18 -1.489969966e-01 -1.489969966e-01 5.20 -1.427840620e-01 -1.427840620e-01 5.22 -1.368864847e-01 -1.368864847e-01 5.24 -1.312873819e-01 -1.312873819e-01 5.26 -1.259682215e-01 -1.259682215e-01 5.28 -1.209094878e-01 -1.209094878e-01 5.30 -1.160912703e-01 -1.160912703e-01 5.32 -1.114937525e-01 -1.114937525e-01 5.34 -1.070975960e-01 -1.070975960e-01 5.36 -1.028842224e-01 -1.028842224e-01 5.38 -9.883600652e-02 -9.883600652e-02 5.40 -9.493639349e-02 -9.493639349e-02 5.42 -9.116995920e-02 -9.116995920e-02 5.44 -8.752242477e-02 -8.752242477e-02 5.46 -8.398057772e-02 -8.398057772e-02 5.48 -8.053241473e-02 -8.053241473e-02 5.50 -7.716707473e-02 -7.716707473e-02 5.52 -7.387479506e-02 -7.387479506e-02 5.54 -7.064693147e-02 -7.064693147e-02 5.56 -6.747600200e-02 -6.747600200e-02 5.58 -6.435575606e-02 -6.435575606e-02 5.60 -6.128126567e-02 -6.128126567e-02 5.62 -5.824903185e-02 -5.824903185e-02 5.64 -5.525709441e-02 -5.525709441e-02 5.66 -5.230512976e-02 -5.230512976e-02 5.68 -4.939451855e-02 -4.939451855e-02 5.70 -4.652836382e-02 -4.652836382e-02 5.72 -4.371144140e-02 -4.371144140e-02 5.74 -4.095006790e-02 -4.095006790e-02 5.76 -3.825187837e-02 -3.825187837e-02 5.78 -3.562551748e-02 -3.562551748e-02 5.80 -3.308024130e-02 -3.308024130e-02 5.82 -3.062547024e-02 -3.062547024e-02 5.84 -2.827031706e-02 -2.827031706e-02 5.86 -2.602312023e-02 -2.602312023e-02 5.88 -2.389102261e-02 -2.389102261e-02 5.90 -2.187962807e-02 -2.187962807e-02 5.92 -1.999250749e-02 -1.999250749e-02 5.94 -1.823094261e-02 -1.823094261e-02 5.96 -1.659538342e-02 -1.659538342e-02 5.98 -1.508439589e-02 -1.508439589e-02 6.00 -1.369477358e-02 -1.369477358e-02