# 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 = Ni2PbTi # 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 2.269125048e+02 2.269125048e+02 1.30 2.104693050e+02 2.104693050e+02 1.32 1.952370498e+02 1.952370498e+02 1.34 1.811163578e+02 1.811163578e+02 1.36 1.680179586e+02 1.680179586e+02 1.38 1.558618335e+02 1.558618335e+02 1.40 1.445759100e+02 1.445759100e+02 1.42 1.340948235e+02 1.340948235e+02 1.44 1.243587715e+02 1.243587715e+02 1.46 1.153125864e+02 1.153125864e+02 1.48 1.069052043e+02 1.069052043e+02 1.50 9.908945139e+01 9.908945139e+01 1.52 9.182186772e+01 9.182186772e+01 1.54 8.506228872e+01 8.506228872e+01 1.56 7.877324461e+01 7.877324461e+01 1.58 7.291954446e+01 7.291954446e+01 1.60 6.746827612e+01 6.746827612e+01 1.62 6.238916619e+01 6.238916619e+01 1.64 5.765492103e+01 5.765492103e+01 1.66 5.324118934e+01 5.324118934e+01 1.68 4.912603333e+01 4.912603333e+01 1.70 4.528926963e+01 4.528926963e+01 1.72 4.171340182e+01 4.171340182e+01 1.74 3.838598745e+01 3.838598745e+01 1.76 3.528964721e+01 3.528964721e+01 1.78 3.240771511e+01 3.240771511e+01 1.80 2.972509198e+01 2.972509198e+01 1.82 2.722821582e+01 2.722821582e+01 1.84 2.490485915e+01 2.490485915e+01 1.86 2.274384395e+01 2.274384395e+01 1.88 2.073475333e+01 2.073475333e+01 1.90 1.886768353e+01 1.886768353e+01 1.92 1.713309088e+01 1.713309088e+01 1.94 1.552176571e+01 1.552176571e+01 1.96 1.402490532e+01 1.402490532e+01 1.98 1.263423970e+01 1.263423970e+01 2.00 1.134212315e+01 1.134212315e+01 2.02 1.014155053e+01 1.014155053e+01 2.04 9.026110896e+00 9.026110896e+00 2.06 7.989927031e+00 7.989927031e+00 2.08 7.027613231e+00 7.027613231e+00 2.10 6.134252333e+00 6.134252333e+00 2.12 5.305370277e+00 5.305370277e+00 2.14 4.536888464e+00 4.536888464e+00 2.16 3.825059295e+00 3.825059295e+00 2.18 3.166396296e+00 3.166396296e+00 2.20 2.557610204e+00 2.557610204e+00 2.22 1.995562767e+00 1.995562767e+00 2.24 1.477237583e+00 1.477237583e+00 2.26 9.997268430e-01 9.997268430e-01 2.28 5.602254297e-01 5.602254297e-01 2.30 1.560357398e-01 1.560357398e-01 2.32 -2.154328242e-01 -2.154328242e-01 2.34 -5.566473413e-01 -5.566473413e-01 2.36 -8.699374840e-01 -8.699374840e-01 2.38 -1.157472615e+00 -1.157472615e+00 2.40 -1.421242338e+00 -1.421242338e+00 2.42 -1.663046317e+00 -1.663046317e+00 2.44 -1.884497426e+00 -1.884497426e+00 2.46 -2.087036558e+00 -2.087036558e+00 2.48 -2.271954742e+00 -2.271954742e+00 2.50 -2.440416844e+00 -2.440416844e+00 2.52 -2.593505173e+00 -2.593505173e+00 2.54 -2.732224969e+00 -2.732224969e+00 2.56 -2.857415048e+00 -2.857415048e+00 2.58 -2.969861130e+00 -2.969861130e+00 2.60 -3.070308205e+00 -3.070308205e+00 2.62 -3.159464380e+00 -3.159464380e+00 2.64 -3.238017356e+00 -3.238017356e+00 2.66 -3.306640608e+00 -3.306640608e+00 2.68 -3.365991002e+00 -3.365991002e+00 2.70 -3.416643610e+00 -3.416643610e+00 2.72 -3.459162020e+00 -3.459162020e+00 2.74 -3.494130737e+00 -3.494130737e+00 2.76 -3.522064077e+00 -3.522064077e+00 2.78 -3.543287254e+00 -3.543287254e+00 2.80 -3.558119596e+00 -3.558119596e+00 2.82 -3.566889780e+00 -3.566889780e+00 2.84 -3.569921972e+00 -3.569921972e+00 2.86 -3.567528263e+00 -3.567528263e+00 2.88 -3.560007467e+00 -3.560007467e+00 2.90 -3.547647752e+00 -3.547647752e+00 2.92 -3.530730856e+00 -3.530730856e+00 2.94 -3.509536411e+00 -3.509536411e+00 2.96 -3.484345706e+00 -3.484345706e+00 2.98 -3.455444637e+00 -3.455444637e+00 3.00 -3.423125487e+00 -3.423125487e+00 3.02 -3.387686867e+00 -3.387686867e+00 3.04 -3.349430493e+00 -3.349430493e+00 3.06 -3.308659022e+00 -3.308659022e+00 3.08 -3.265664824e+00 -3.265664824e+00 3.10 -3.220726858e+00 -3.220726858e+00 3.12 -3.174104682e+00 -3.174104682e+00 3.14 -3.126064184e+00 -3.126064184e+00 3.16 -3.076829073e+00 -3.076829073e+00 3.18 -3.026565829e+00 -3.026565829e+00 3.20 -2.975433926e+00 -2.975433926e+00 3.22 -2.923585567e+00 -2.923585567e+00 3.24 -2.871164474e+00 -2.871164474e+00 3.26 -2.818304205e+00 -2.818304205e+00 3.28 -2.765126534e+00 -2.765126534e+00 3.30 -2.711738826e+00 -2.711738826e+00 3.32 -2.658226871e+00 -2.658226871e+00 3.34 -2.604661989e+00 -2.604661989e+00 3.36 -2.551106124e+00 -2.551106124e+00 3.38 -2.497612635e+00 -2.497612635e+00 3.40 -2.444227279e+00 -2.444227279e+00 3.42 -2.390990293e+00 -2.390990293e+00 3.44 -2.337936866e+00 -2.337936866e+00 3.46 -2.285099679e+00 -2.285099679e+00 3.48 -2.232510493e+00 -2.232510493e+00 3.50 -2.180201792e+00 -2.180201792e+00 3.52 -2.128207953e+00 -2.128207953e+00 3.54 -2.076565661e+00 -2.076565661e+00 3.56 -2.025313411e+00 -2.025313411e+00 3.58 -1.974490164e+00 -1.974490164e+00 3.60 -1.924133535e+00 -1.924133535e+00 3.62 -1.874278045e+00 -1.874278045e+00 3.64 -1.824953991e+00 -1.824953991e+00 3.66 -1.776187273e+00 -1.776187273e+00 3.68 -1.728000236e+00 -1.728000236e+00 3.70 -1.680413291e+00 -1.680413291e+00 3.72 -1.633446943e+00 -1.633446943e+00 3.74 -1.587123839e+00 -1.587123839e+00 3.76 -1.541470516e+00 -1.541470516e+00 3.78 -1.496518649e+00 -1.496518649e+00 3.80 -1.452305674e+00 -1.452305674e+00 3.82 -1.408874680e+00 -1.408874680e+00 3.84 -1.366273526e+00 -1.366273526e+00 3.86 -1.324553117e+00 -1.324553117e+00 3.88 -1.283764916e+00 -1.283764916e+00 3.90 -1.243957852e+00 -1.243957852e+00 3.92 -1.205174539e+00 -1.205174539e+00 3.94 -1.167449899e+00 -1.167449899e+00 3.96 -1.130805751e+00 -1.130805751e+00 3.98 -1.095251215e+00 -1.095251215e+00 4.00 -1.060781713e+00 -1.060781713e+00 4.02 -1.027379599e+00 -1.027379599e+00 4.04 -9.950156548e-01 -9.950156548e-01 4.06 -9.636511479e-01 -9.636511479e-01 4.08 -9.332401116e-01 -9.332401116e-01 4.10 -9.037304907e-01 -9.037304907e-01 4.12 -8.750706853e-01 -8.750706853e-01 4.14 -8.472040711e-01 -8.472040711e-01 4.16 -8.200753678e-01 -8.200753678e-01 4.18 -7.936303757e-01 -7.936303757e-01 4.20 -7.678168482e-01 -7.678168482e-01 4.22 -7.425852621e-01 -7.425852621e-01 4.24 -7.178895734e-01 -7.178895734e-01 4.26 -6.936880284e-01 -6.936880284e-01 4.28 -6.699440721e-01 -6.699440721e-01 4.30 -6.466273642e-01 -6.466273642e-01 4.32 -6.237148702e-01 -6.237148702e-01 4.34 -6.011919563e-01 -6.011919563e-01 4.36 -5.790533695e-01 -5.790533695e-01 4.38 -5.573039513e-01 -5.573039513e-01 4.40 -5.359589114e-01 -5.359589114e-01 4.42 -5.150434952e-01 -5.150434952e-01 4.44 -4.945919171e-01 -4.945919171e-01 4.46 -4.746455120e-01 -4.746455120e-01 4.48 -4.552501605e-01 -4.552501605e-01 4.50 -4.364531665e-01 -4.364531665e-01 4.52 -4.182998710e-01 -4.182998710e-01 4.54 -4.008303508e-01 -4.008303508e-01 4.56 -3.840765566e-01 -3.840765566e-01 4.58 -3.680601861e-01 -3.680601861e-01 4.60 -3.527914732e-01 -3.527914732e-01 4.62 -3.382689405e-01 -3.382689405e-01 4.64 -3.244800293e-01 -3.244800293e-01 4.66 -3.114024233e-01 -3.114024233e-01 4.68 -2.990058313e-01 -2.990058313e-01 4.70 -2.872539865e-01 -2.872539865e-01 4.72 -2.761066533e-01 -2.761066533e-01 4.74 -2.655214844e-01 -2.655214844e-01 4.76 -2.554556294e-01 -2.554556294e-01 4.78 -2.458670509e-01 -2.458670509e-01 4.80 -2.367147261e-01 -2.367147261e-01 4.82 -2.279628045e-01 -2.279628045e-01 4.84 -2.195757996e-01 -2.195757996e-01 4.86 -2.115226342e-01 -2.115226342e-01 4.88 -2.037758435e-01 -2.037758435e-01 4.90 -1.963116358e-01 -1.963116358e-01 4.92 -1.891098497e-01 -1.891098497e-01 4.94 -1.821538183e-01 -1.821538183e-01 4.96 -1.754301443e-01 -1.754301443e-01 4.98 -1.689283856e-01 -1.689283856e-01 5.00 -1.626406569e-01 -1.626406569e-01 5.02 -1.565611602e-01 -1.565611602e-01 5.04 -1.506856667e-01 -1.506856667e-01 5.06 -1.450109809e-01 -1.450109809e-01 5.08 -1.395344102e-01 -1.395344102e-01 5.10 -1.342528644e-01 -1.342528644e-01 5.12 -1.291635154e-01 -1.291635154e-01 5.14 -1.242632266e-01 -1.242632266e-01 5.16 -1.195480853e-01 -1.195480853e-01 5.18 -1.150134062e-01 -1.150134062e-01 5.20 -1.106538189e-01 -1.106538189e-01 5.22 -1.064634077e-01 -1.064634077e-01 5.24 -1.024358701e-01 -1.024358701e-01 5.26 -9.856465807e-02 -9.856465807e-02 5.28 -9.484301446e-02 -9.484301446e-02 5.30 -9.126426614e-02 -9.126426614e-02 5.32 -8.782179148e-02 -8.782179148e-02 5.34 -8.450898965e-02 -8.450898965e-02 5.36 -8.131927188e-02 -8.131927188e-02 5.38 -7.824604224e-02 -7.824604224e-02 5.40 -7.528267907e-02 -7.528267907e-02 5.42 -7.242252609e-02 -7.242252609e-02 5.44 -6.965889929e-02 -6.965889929e-02 5.46 -6.698511278e-02 -6.698511278e-02 5.48 -6.439452397e-02 -6.439452397e-02 5.50 -6.188059681e-02 -6.188059681e-02 5.52 -5.943698011e-02 -5.943698011e-02 5.54 -5.705759763e-02 -5.705759763e-02 5.56 -5.473674609e-02 -5.473674609e-02 5.58 -5.246919723e-02 -5.246919723e-02 5.60 -5.025029958e-02 -5.025029958e-02 5.62 -4.807607564e-02 -4.807607564e-02 5.64 -4.594330913e-02 -4.594330913e-02 5.66 -4.384961660e-02 -4.384961660e-02 5.68 -4.179349703e-02 -4.179349703e-02 5.70 -3.977435301e-02 -3.977435301e-02 5.72 -3.779247741e-02 -3.779247741e-02 5.74 -3.584900144e-02 -3.584900144e-02 5.76 -3.394580190e-02 -3.394580190e-02 5.78 -3.208536973e-02 -3.208536973e-02 5.80 -3.027064536e-02 -3.027064536e-02 5.82 -2.850483103e-02 -2.850483103e-02 5.84 -2.679119327e-02 -2.679119327e-02 5.86 -2.513287111e-02 -2.513287111e-02 5.88 -2.353270394e-02 -2.353270394e-02 5.90 -2.199309403e-02 -2.199309403e-02 5.92 -2.051591161e-02 -2.051591161e-02 5.94 -1.910244633e-02 -1.910244633e-02 5.96 -1.775340400e-02 -1.775340400e-02 5.98 -1.646894223e-02 -1.646894223e-02 6.00 -1.524873507e-02 -1.524873507e-02