# 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 = AlCuW2 # 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 2.392707517e+02 2.392707517e+02 1.30 2.207547003e+02 2.207547003e+02 1.32 2.036947490e+02 2.036947490e+02 1.34 1.879621607e+02 1.879621607e+02 1.36 1.734364756e+02 1.734364756e+02 1.38 1.600078734e+02 1.600078734e+02 1.40 1.475789360e+02 1.475789360e+02 1.42 1.360646256e+02 1.360646256e+02 1.44 1.253904169e+02 1.253904169e+02 1.46 1.154897863e+02 1.154897863e+02 1.48 1.063026185e+02 1.063026185e+02 1.50 9.777494492e+01 9.777494492e+01 1.52 8.985907451e+01 8.985907451e+01 1.54 8.251311209e+01 8.251311209e+01 1.56 7.569978912e+01 7.569978912e+01 1.58 6.938517088e+01 6.938517088e+01 1.60 6.353767572e+01 6.353767572e+01 1.62 5.812742522e+01 5.812742522e+01 1.64 5.312575764e+01 5.312575764e+01 1.66 4.850486022e+01 4.850486022e+01 1.68 4.423762580e+01 4.423762580e+01 1.70 4.029776225e+01 4.029776225e+01 1.72 3.665999176e+01 3.665999176e+01 1.74 3.330016400e+01 3.330016400e+01 1.76 3.019530199e+01 3.019530199e+01 1.78 2.732425893e+01 2.732425893e+01 1.80 2.466800813e+01 2.466800813e+01 1.82 2.220844973e+01 2.220844973e+01 1.84 1.992972235e+01 1.992972235e+01 1.86 1.781824841e+01 1.781824841e+01 1.88 1.586287849e+01 1.586287849e+01 1.90 1.405515499e+01 1.405515499e+01 1.92 1.238591830e+01 1.238591830e+01 1.94 1.084639505e+01 1.084639505e+01 1.96 9.428129049e+00 9.428129049e+00 1.98 8.122898852e+00 8.122898852e+00 2.00 6.922747554e+00 6.922747554e+00 2.02 5.820034758e+00 5.820034758e+00 2.04 4.807448886e+00 4.807448886e+00 2.06 3.877966467e+00 3.877966467e+00 2.08 3.024789362e+00 3.024789362e+00 2.10 2.241311643e+00 2.241311643e+00 2.12 1.521154815e+00 1.521154815e+00 2.14 8.582740715e-01 8.582740715e-01 2.16 2.471028871e-01 2.471028871e-01 2.18 -3.173138974e-01 -3.173138974e-01 2.20 -8.392423467e-01 -8.392423467e-01 2.22 -1.322258870e+00 -1.322258870e+00 2.24 -1.769322165e+00 -1.769322165e+00 2.26 -2.182893056e+00 -2.182893056e+00 2.28 -2.565069346e+00 -2.565069346e+00 2.30 -2.917705267e+00 -2.917705267e+00 2.32 -3.242495552e+00 -3.242495552e+00 2.34 -3.541018088e+00 -3.541018088e+00 2.36 -3.814744092e+00 -3.814744092e+00 2.38 -4.064983977e+00 -4.064983977e+00 2.40 -4.292854444e+00 -4.292854444e+00 2.42 -4.499662385e+00 -4.499662385e+00 2.44 -4.686629436e+00 -4.686629436e+00 2.46 -4.854893301e+00 -4.854893301e+00 2.48 -5.005536046e+00 -5.005536046e+00 2.50 -5.139601825e+00 -5.139601825e+00 2.52 -5.258105297e+00 -5.258105297e+00 2.54 -5.361991559e+00 -5.361991559e+00 2.56 -5.451759366e+00 -5.451759366e+00 2.58 -5.527719807e+00 -5.527719807e+00 2.60 -5.590269481e+00 -5.590269481e+00 2.62 -5.639873241e+00 -5.639873241e+00 2.64 -5.677038798e+00 -5.677038798e+00 2.66 -5.702287923e+00 -5.702287923e+00 2.68 -5.716130025e+00 -5.716130025e+00 2.70 -5.719043851e+00 -5.719043851e+00 2.72 -5.711469754e+00 -5.711469754e+00 2.74 -5.693810969e+00 -5.693810969e+00 2.76 -5.666440568e+00 -5.666440568e+00 2.78 -5.629711458e+00 -5.629711458e+00 2.80 -5.583968560e+00 -5.583968560e+00 2.82 -5.529563409e+00 -5.529563409e+00 2.84 -5.466871513e+00 -5.466871513e+00 2.86 -5.396311979e+00 -5.396311979e+00 2.88 -5.318367960e+00 -5.318367960e+00 2.90 -5.233605636e+00 -5.233605636e+00 2.92 -5.142688821e+00 -5.142688821e+00 2.94 -5.046500298e+00 -5.046500298e+00 2.96 -4.946794250e+00 -4.946794250e+00 2.98 -4.844291046e+00 -4.844291046e+00 3.00 -4.739543134e+00 -4.739543134e+00 3.02 -4.633187484e+00 -4.633187484e+00 3.04 -4.525890116e+00 -4.525890116e+00 3.06 -4.418290636e+00 -4.418290636e+00 3.08 -4.310951950e+00 -4.310951950e+00 3.10 -4.204326494e+00 -4.204326494e+00 3.12 -4.098754370e+00 -4.098754370e+00 3.14 -3.994442656e+00 -3.994442656e+00 3.16 -3.891440627e+00 -3.891440627e+00 3.18 -3.789652771e+00 -3.789652771e+00 3.20 -3.688865252e+00 -3.688865252e+00 3.22 -3.588778213e+00 -3.588778213e+00 3.24 -3.489040586e+00 -3.489040586e+00 3.26 -3.389284832e+00 -3.389284832e+00 3.28 -3.289159832e+00 -3.289159832e+00 3.30 -3.188360825e+00 -3.188360825e+00 3.32 -3.086655628e+00 -3.086655628e+00 3.34 -2.983906448e+00 -2.983906448e+00 3.36 -2.880086504e+00 -2.880086504e+00 3.38 -2.775290539e+00 -2.775290539e+00 3.40 -2.669738246e+00 -2.669738246e+00 3.42 -2.563769818e+00 -2.563769818e+00 3.44 -2.457833213e+00 -2.457833213e+00 3.46 -2.352463488e+00 -2.352463488e+00 3.48 -2.248255365e+00 -2.248255365e+00 3.50 -2.145831120e+00 -2.145831120e+00 3.52 -2.045806547e+00 -2.045806547e+00 3.54 -1.948758143e+00 -1.948758143e+00 3.56 -1.855194496e+00 -1.855194496e+00 3.58 -1.765534285e+00 -1.765534285e+00 3.60 -1.680092370e+00 -1.680092370e+00 3.62 -1.599074387e+00 -1.599074387e+00 3.64 -1.522579230e+00 -1.522579230e+00 3.66 -1.450608065e+00 -1.450608065e+00 3.68 -1.383078025e+00 -1.383078025e+00 3.70 -1.319838653e+00 -1.319838653e+00 3.72 -1.260689242e+00 -1.260689242e+00 3.74 -1.205395587e+00 -1.205395587e+00 3.76 -1.153704978e+00 -1.153704978e+00 3.78 -1.105358715e+00 -1.105358715e+00 3.80 -1.060101748e+00 -1.060101748e+00 3.82 -1.017689381e+00 -1.017689381e+00 3.84 -9.778912347e-01 -9.778912347e-01 3.86 -9.404928688e-01 -9.404928688e-01 3.88 -9.052956340e-01 -9.052956340e-01 3.90 -8.721153650e-01 -8.721153650e-01 3.92 -8.407805263e-01 -8.407805263e-01 3.94 -8.111303370e-01 -8.111303370e-01 3.96 -7.830131751e-01 -7.830131751e-01 3.98 -7.562855060e-01 -7.562855060e-01 4.00 -7.308113056e-01 -7.308113056e-01 4.02 -7.064619184e-01 -7.064619184e-01 4.04 -6.831162199e-01 -6.831162199e-01 4.06 -6.606609630e-01 -6.606609630e-01 4.08 -6.389911887e-01 -6.389911887e-01 4.10 -6.180106499e-01 -6.180106499e-01 4.12 -5.976323319e-01 -5.976323319e-01 4.14 -5.777788454e-01 -5.777788454e-01 4.16 -5.583828463e-01 -5.583828463e-01 4.18 -5.393875335e-01 -5.393875335e-01 4.20 -5.207476812e-01 -5.207476812e-01 4.22 -5.024294146e-01 -5.024294146e-01 4.24 -4.844104691e-01 -4.844104691e-01 4.26 -4.666801998e-01 -4.666801998e-01 4.28 -4.492392110e-01 -4.492392110e-01 4.30 -4.320985456e-01 -4.320985456e-01 4.32 -4.152784081e-01 -4.152784081e-01 4.34 -3.988064458e-01 -3.988064458e-01 4.36 -3.827156612e-01 -3.827156612e-01 4.38 -3.670420712e-01 -3.670420712e-01 4.40 -3.518222494e-01 -3.518222494e-01 4.42 -3.370908998e-01 -3.370908998e-01 4.44 -3.228785979e-01 -3.228785979e-01 4.46 -3.092098217e-01 -3.092098217e-01 4.48 -2.961013751e-01 -2.961013751e-01 4.50 -2.835612804e-01 -2.835612804e-01 4.52 -2.715881891e-01 -2.715881891e-01 4.54 -2.601713257e-01 -2.601713257e-01 4.56 -2.492909361e-01 -2.492909361e-01 4.58 -2.389191802e-01 -2.389191802e-01 4.60 -2.290213704e-01 -2.290213704e-01 4.62 -2.195573637e-01 -2.195573637e-01 4.64 -2.104831887e-01 -2.104831887e-01 4.66 -2.017529690e-01 -2.017529690e-01 4.68 -1.933201114e-01 -1.933201114e-01 4.70 -1.851387569e-01 -1.851387569e-01 4.72 -1.771651015e-01 -1.771651015e-01 4.74 -1.693585684e-01 -1.693585684e-01 4.76 -1.616828420e-01 -1.616828420e-01 4.78 -1.541067795e-01 -1.541067795e-01 4.80 -1.466052008e-01 -1.466052008e-01 4.82 -1.391595863e-01 -1.391595863e-01 4.84 -1.317585742e-01 -1.317585742e-01 4.86 -1.243983410e-01 -1.243983410e-01 4.88 -1.170827260e-01 -1.170827260e-01 4.90 -1.098230860e-01 -1.098230860e-01 4.92 -1.026378276e-01 -1.026378276e-01 4.94 -9.555158963e-02 -9.555158963e-02 4.96 -8.859407768e-02 -8.859407768e-02 4.98 -8.179858733e-02 -8.179858733e-02 5.00 -7.520029466e-02 -7.520029466e-02 5.02 -6.883442540e-02 -6.883442540e-02 5.04 -6.273443699e-02 -6.273443699e-02 5.06 -5.693035323e-02 -5.693035323e-02 5.08 -5.144737679e-02 -5.144737679e-02 5.10 -4.630487385e-02 -4.630487385e-02 5.12 -4.151578224e-02 -4.151578224e-02 5.14 -3.708644816e-02 -3.708644816e-02 5.16 -3.301685422e-02 -3.301685422e-02 5.18 -2.930116780e-02 -2.930116780e-02 5.20 -2.592852230e-02 -2.592852230e-02 5.22 -2.288393880e-02 -2.288393880e-02 5.24 -2.014929810e-02 -2.014929810e-02 5.26 -1.770427183e-02 -1.770427183e-02 5.28 -1.552688256e-02 -1.552688256e-02 5.30 -1.359508263e-02 -1.359508263e-02 5.32 -1.188699989e-02 -1.188699989e-02 5.34 -1.038123879e-02 -1.038123879e-02 5.36 -9.057294116e-03 -9.057294116e-03 5.38 -7.895838416e-03 -7.895838416e-03 5.40 -6.878902943e-03 -6.878902943e-03 5.42 -5.989972348e-03 -5.989972348e-03 5.44 -5.214012345e-03 -5.214012345e-03 5.46 -4.537447435e-03 -4.537447435e-03 5.48 -3.948103194e-03 -3.948103194e-03 5.50 -3.435125031e-03 -3.435125031e-03 5.52 -2.988882768e-03 -2.988882768e-03 5.54 -2.600868241e-03 -2.600868241e-03 5.56 -2.263591206e-03 -2.263591206e-03 5.58 -1.970477307e-03 -1.970477307e-03 5.60 -1.715770659e-03 -1.715770659e-03 5.62 -1.494442633e-03 -1.494442633e-03 5.64 -1.302107732e-03 -1.302107732e-03 5.66 -1.134946943e-03 -1.134946943e-03 5.68 -9.896385468e-04 -9.896385468e-04 5.70 -8.632961763e-04 -8.632961763e-04 5.72 -7.534136892e-04 -7.534136892e-04 5.74 -6.578163861e-04 -6.578163861e-04 5.76 -5.746180217e-04 -5.746180217e-04 5.78 -5.021830627e-04 -5.021830627e-04 5.80 -4.390936525e-04 -4.390936525e-04 5.82 -3.841207678e-04 -3.841207678e-04 5.84 -3.361990876e-04 -3.361990876e-04 5.86 -2.944051357e-04 -2.944051357e-04 5.88 -2.579382953e-04 -2.579382953e-04 5.90 -2.261043396e-04 -2.261043396e-04 5.92 -1.983011557e-04 -1.983011557e-04 5.94 -1.740063807e-04 -1.740063807e-04 5.96 -1.527666986e-04 -1.527666986e-04 5.98 -1.341885798e-04 -1.341885798e-04 6.00 -1.179302699e-04 -1.179302699e-04