# 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 = Pb2PdPt # 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 4.221259764e+02 4.221259764e+02 1.30 3.946649514e+02 3.946649514e+02 1.32 3.690414965e+02 3.690414965e+02 1.34 3.451150454e+02 3.451150454e+02 1.36 3.227586538e+02 3.227586538e+02 1.38 3.018577751e+02 3.018577751e+02 1.40 2.823089985e+02 2.823089985e+02 1.42 2.640184111e+02 2.640184111e+02 1.44 2.468993405e+02 2.468993405e+02 1.46 2.308705052e+02 2.308705052e+02 1.48 2.158555002e+02 2.158555002e+02 1.50 2.017829446e+02 2.017829446e+02 1.52 1.885860083e+02 1.885860083e+02 1.54 1.762014936e+02 1.762014936e+02 1.56 1.645696870e+02 1.645696870e+02 1.58 1.536351812e+02 1.536351812e+02 1.60 1.433478214e+02 1.433478214e+02 1.62 1.336628652e+02 1.336628652e+02 1.64 1.245402717e+02 1.245402717e+02 1.66 1.159436745e+02 1.159436745e+02 1.68 1.078397825e+02 1.078397825e+02 1.70 1.001983026e+02 1.001983026e+02 1.72 9.299192333e+01 9.299192333e+01 1.74 8.620113603e+01 8.620113603e+01 1.76 7.987012552e+01 7.987012552e+01 1.78 7.398869678e+01 7.398869678e+01 1.80 6.852305822e+01 6.852305822e+01 1.82 6.344151606e+01 6.344151606e+01 1.84 5.871500909e+01 5.871500909e+01 1.86 5.431726267e+01 5.431726267e+01 1.88 5.022462482e+01 5.022462482e+01 1.90 4.641567730e+01 4.641567730e+01 1.92 4.287080282e+01 4.287080282e+01 1.94 3.957180857e+01 3.957180857e+01 1.96 3.650169405e+01 3.650169405e+01 1.98 3.364451109e+01 3.364451109e+01 2.00 3.098530394e+01 3.098530394e+01 2.02 2.851009636e+01 2.851009636e+01 2.04 2.620588389e+01 2.620588389e+01 2.06 2.406060776e+01 2.406060776e+01 2.08 2.206310937e+01 2.206310937e+01 2.10 2.020307011e+01 2.020307011e+01 2.12 1.847095061e+01 1.847095061e+01 2.14 1.685793587e+01 1.685793587e+01 2.16 1.535588359e+01 1.535588359e+01 2.18 1.395728110e+01 1.395728110e+01 2.20 1.265520103e+01 1.265520103e+01 2.22 1.144326233e+01 1.144326233e+01 2.24 1.031558739e+01 1.031558739e+01 2.26 9.266757628e+00 9.266757628e+00 2.28 8.291769572e+00 8.291769572e+00 2.30 7.385983359e+00 7.385983359e+00 2.32 6.545074703e+00 6.545074703e+00 2.34 5.764986443e+00 5.764986443e+00 2.36 5.041881553e+00 5.041881553e+00 2.38 4.372105413e+00 4.372105413e+00 2.40 3.752160917e+00 3.752160917e+00 2.42 3.178701404e+00 3.178701404e+00 2.44 2.648539425e+00 2.648539425e+00 2.46 2.158668166e+00 2.158668166e+00 2.48 1.706282599e+00 1.706282599e+00 2.50 1.288591023e+00 1.288591023e+00 2.52 9.021487706e-01 9.021487706e-01 2.54 5.449170926e-01 5.449170926e-01 2.56 2.151770105e-01 2.151770105e-01 2.58 -8.870885901e-02 -8.870885901e-02 2.60 -3.683011517e-01 -3.683011517e-01 2.62 -6.250811814e-01 -6.250811814e-01 2.64 -8.604503445e-01 -8.604503445e-01 2.66 -1.075720614e+00 -1.075720614e+00 2.68 -1.272118788e+00 -1.272118788e+00 2.70 -1.450788224e+00 -1.450788224e+00 2.72 -1.612793756e+00 -1.612793756e+00 2.74 -1.759127377e+00 -1.759127377e+00 2.76 -1.890714129e+00 -1.890714129e+00 2.78 -2.008418042e+00 -2.008418042e+00 2.80 -2.113167198e+00 -2.113167198e+00 2.82 -2.205912014e+00 -2.205912014e+00 2.84 -2.287265528e+00 -2.287265528e+00 2.86 -2.357827160e+00 -2.357827160e+00 2.88 -2.418204053e+00 -2.418204053e+00 2.90 -2.469021690e+00 -2.469021690e+00 2.92 -2.510931944e+00 -2.510931944e+00 2.94 -2.544615582e+00 -2.544615582e+00 2.96 -2.570776799e+00 -2.570776799e+00 2.98 -2.590133163e+00 -2.590133163e+00 3.00 -2.603415635e+00 -2.603415635e+00 3.02 -2.611323285e+00 -2.611323285e+00 3.04 -2.614488648e+00 -2.614488648e+00 3.06 -2.613466601e+00 -2.613466601e+00 3.08 -2.608727789e+00 -2.608727789e+00 3.10 -2.600666918e+00 -2.600666918e+00 3.12 -2.589613330e+00 -2.589613330e+00 3.14 -2.575852488e+00 -2.575852488e+00 3.16 -2.559630527e+00 -2.559630527e+00 3.18 -2.541172018e+00 -2.541172018e+00 3.20 -2.520684372e+00 -2.520684372e+00 3.22 -2.498359992e+00 -2.498359992e+00 3.24 -2.474375705e+00 -2.474375705e+00 3.26 -2.448891270e+00 -2.448891270e+00 3.28 -2.422048484e+00 -2.422048484e+00 3.30 -2.393971760e+00 -2.393971760e+00 3.32 -2.364771411e+00 -2.364771411e+00 3.34 -2.334600349e+00 -2.334600349e+00 3.36 -2.303579060e+00 -2.303579060e+00 3.38 -2.271796347e+00 -2.271796347e+00 3.40 -2.239335353e+00 -2.239335353e+00 3.42 -2.206276728e+00 -2.206276728e+00 3.44 -2.172698283e+00 -2.172698283e+00 3.46 -2.138676173e+00 -2.138676173e+00 3.48 -2.104284174e+00 -2.104284174e+00 3.50 -2.069592936e+00 -2.069592936e+00 3.52 -2.034668163e+00 -2.034668163e+00 3.54 -1.999561501e+00 -1.999561501e+00 3.56 -1.964314310e+00 -1.964314310e+00 3.58 -1.928965496e+00 -1.928965496e+00 3.60 -1.893551227e+00 -1.893551227e+00 3.62 -1.858104977e+00 -1.858104977e+00 3.64 -1.822657830e+00 -1.822657830e+00 3.66 -1.787238942e+00 -1.787238942e+00 3.68 -1.751876049e+00 -1.751876049e+00 3.70 -1.716595892e+00 -1.716595892e+00 3.72 -1.681424464e+00 -1.681424464e+00 3.74 -1.646386999e+00 -1.646386999e+00 3.76 -1.611507712e+00 -1.611507712e+00 3.78 -1.576809345e+00 -1.576809345e+00 3.80 -1.542312651e+00 -1.542312651e+00 3.82 -1.508035941e+00 -1.508035941e+00 3.84 -1.473994824e+00 -1.473994824e+00 3.86 -1.440202197e+00 -1.440202197e+00 3.88 -1.406668499e+00 -1.406668499e+00 3.90 -1.373402182e+00 -1.373402182e+00 3.92 -1.340409728e+00 -1.340409728e+00 3.94 -1.307698877e+00 -1.307698877e+00 3.96 -1.275275409e+00 -1.275275409e+00 3.98 -1.243146682e+00 -1.243146682e+00 4.00 -1.211321666e+00 -1.211321666e+00 4.02 -1.179811695e+00 -1.179811695e+00 4.04 -1.148631204e+00 -1.148631204e+00 4.06 -1.117798383e+00 -1.117798383e+00 4.08 -1.087335679e+00 -1.087335679e+00 4.10 -1.057268469e+00 -1.057268469e+00 4.12 -1.027631613e+00 -1.027631613e+00 4.14 -9.984584315e-01 -9.984584315e-01 4.16 -9.697870339e-01 -9.697870339e-01 4.18 -9.416568076e-01 -9.416568076e-01 4.20 -9.141064302e-01 -9.141064302e-01 4.22 -8.871716027e-01 -8.871716027e-01 4.24 -8.608827205e-01 -8.608827205e-01 4.26 -8.352627364e-01 -8.352627364e-01 4.28 -8.103254596e-01 -8.103254596e-01 4.30 -7.860744771e-01 -7.860744771e-01 4.32 -7.625027970e-01 -7.625027970e-01 4.34 -7.395932025e-01 -7.395932025e-01 4.36 -7.173192161e-01 -7.173192161e-01 4.38 -6.956465057e-01 -6.956465057e-01 4.40 -6.745345404e-01 -6.745345404e-01 4.42 -6.539383141e-01 -6.539383141e-01 4.44 -6.338099944e-01 -6.338099944e-01 4.46 -6.141004063e-01 -6.141004063e-01 4.48 -5.947603103e-01 -5.947603103e-01 4.50 -5.757414823e-01 -5.757414823e-01 4.52 -5.569976321e-01 -5.569976321e-01 4.54 -5.384852140e-01 -5.384852140e-01 4.56 -5.201641912e-01 -5.201641912e-01 4.58 -5.019988042e-01 -5.019988042e-01 4.60 -4.839583844e-01 -4.839583844e-01 4.62 -4.660182271e-01 -4.660182271e-01 4.64 -4.481605178e-01 -4.481605178e-01 4.66 -4.303752745e-01 -4.303752745e-01 4.68 -4.126612422e-01 -4.126612422e-01 4.70 -3.950266520e-01 -3.950266520e-01 4.72 -3.774897397e-01 -3.774897397e-01 4.74 -3.600789104e-01 -3.600789104e-01 4.76 -3.428324454e-01 -3.428324454e-01 4.78 -3.257976708e-01 -3.257976708e-01 4.80 -3.090281015e-01 -3.090281015e-01 4.82 -2.925874786e-01 -2.925874786e-01 4.84 -2.765379299e-01 -2.765379299e-01 4.86 -2.609437079e-01 -2.609437079e-01 4.88 -2.458665400e-01 -2.458665400e-01 4.90 -2.313627732e-01 -2.313627732e-01 4.92 -2.174808356e-01 -2.174808356e-01 4.94 -2.042592143e-01 -2.042592143e-01 4.96 -1.917251026e-01 -1.917251026e-01 4.98 -1.798937864e-01 -1.798937864e-01 5.00 -1.687687684e-01 -1.687687684e-01 5.02 -1.583425484e-01 -1.583425484e-01 5.04 -1.485979288e-01 -1.485979288e-01 5.06 -1.395096813e-01 -1.395096813e-01 5.08 -1.310464019e-01 -1.310464019e-01 5.10 -1.231723990e-01 -1.231723990e-01 5.12 -1.158494825e-01 -1.158494825e-01 5.14 -1.090385601e-01 -1.090385601e-01 5.16 -1.027009737e-01 -1.027009737e-01 5.18 -9.679954987e-02 -9.679954987e-02 5.20 -9.129936942e-02 -9.129936942e-02 5.22 -8.616825691e-02 -8.616825691e-02 5.24 -8.137702476e-02 -8.137702476e-02 5.26 -7.689949922e-02 -7.689949922e-02 5.28 -7.271238686e-02 -7.271238686e-02 5.30 -6.879501810e-02 -6.879501810e-02 5.32 -6.512901119e-02 -6.512901119e-02 5.34 -6.169785366e-02 -6.169785366e-02 5.36 -5.848571165e-02 -5.848571165e-02 5.38 -5.547905405e-02 -5.547905405e-02 5.40 -5.266555595e-02 -5.266555595e-02 5.42 -5.003332501e-02 -5.003332501e-02 5.44 -4.757078942e-02 -4.757078942e-02 5.46 -4.526663331e-02 -4.526663331e-02 5.48 -4.310977530e-02 -4.310977530e-02 5.50 -4.108938202e-02 -4.108938202e-02 5.52 -3.919490588e-02 -3.919490588e-02 5.54 -3.741613685e-02 -3.741613685e-02 5.56 -3.574325862e-02 -3.574325862e-02 5.58 -3.416690202e-02 -3.416690202e-02 5.60 -3.267819058e-02 -3.267819058e-02 5.62 -3.126877533e-02 -3.126877533e-02 5.64 -2.993085794e-02 -2.993085794e-02 5.66 -2.865720255e-02 -2.865720255e-02 5.68 -2.744113787e-02 -2.744113787e-02 5.70 -2.627655138e-02 -2.627655138e-02 5.72 -2.515787791e-02 -2.515787791e-02 5.74 -2.408008476e-02 -2.408008476e-02 5.76 -2.303865529e-02 -2.303865529e-02 5.78 -2.202957263e-02 -2.202957263e-02 5.80 -2.104930370e-02 -2.104930370e-02 5.82 -2.009478607e-02 -2.009478607e-02 5.84 -1.916341656e-02 -1.916341656e-02 5.86 -1.825304162e-02 -1.825304162e-02 5.88 -1.736194875e-02 -1.736194875e-02 5.90 -1.648885805e-02 -1.648885805e-02 5.92 -1.563291245e-02 -1.563291245e-02 5.94 -1.479366473e-02 -1.479366473e-02 5.96 -1.397105954e-02 -1.397105954e-02 5.98 -1.316541368e-02 -1.316541368e-02 6.00 -1.237738297e-02 -1.237738297e-02