# 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 = Al2PbZr # 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 2.430345601e+02 2.430345601e+02 1.30 2.273382271e+02 2.273382271e+02 1.32 2.127138778e+02 2.127138778e+02 1.34 1.990796153e+02 1.990796153e+02 1.36 1.863606137e+02 1.863606137e+02 1.38 1.744875652e+02 1.744875652e+02 1.40 1.633960500e+02 1.633960500e+02 1.42 1.530267703e+02 1.530267703e+02 1.44 1.433256420e+02 1.433256420e+02 1.46 1.342435855e+02 1.342435855e+02 1.48 1.257362790e+02 1.257362790e+02 1.50 1.177638682e+02 1.177638682e+02 1.52 1.102903848e+02 1.102903848e+02 1.54 1.032829713e+02 1.032829713e+02 1.56 9.671101963e+01 9.671101963e+01 1.58 9.054558984e+01 9.054558984e+01 1.60 8.475925666e+01 8.475925666e+01 1.62 7.932634022e+01 7.932634022e+01 1.64 7.422322981e+01 7.422322981e+01 1.66 6.942851069e+01 6.942851069e+01 1.68 6.492272428e+01 6.492272428e+01 1.70 6.068779128e+01 6.068779128e+01 1.72 5.670645687e+01 5.670645687e+01 1.74 5.296200753e+01 5.296200753e+01 1.76 4.943865464e+01 4.943865464e+01 1.78 4.612146673e+01 4.612146673e+01 1.80 4.299654091e+01 4.299654091e+01 1.82 4.005553836e+01 4.005553836e+01 1.84 3.728835931e+01 3.728835931e+01 1.86 3.468606546e+01 3.468606546e+01 1.88 3.223997079e+01 3.223997079e+01 1.90 2.994041985e+01 2.994041985e+01 1.92 2.777836420e+01 2.777836420e+01 1.94 2.574538145e+01 2.574538145e+01 1.96 2.383369777e+01 2.383369777e+01 1.98 2.203620539e+01 2.203620539e+01 2.00 2.034643380e+01 2.034643380e+01 2.02 1.875845740e+01 1.875845740e+01 2.04 1.726676594e+01 1.726676594e+01 2.06 1.586613459e+01 1.586613459e+01 2.08 1.455153069e+01 1.455153069e+01 2.10 1.331805223e+01 1.331805223e+01 2.12 1.216092663e+01 1.216092663e+01 2.14 1.107553114e+01 1.107553114e+01 2.16 1.005743499e+01 1.005743499e+01 2.18 9.102433838e+00 9.102433838e+00 2.20 8.206576077e+00 8.206576077e+00 2.22 7.366164383e+00 7.366164383e+00 2.24 6.577753925e+00 6.577753925e+00 2.26 5.838148933e+00 5.838148933e+00 2.28 5.144406170e+00 5.144406170e+00 2.30 4.493826211e+00 4.493826211e+00 2.32 3.883939204e+00 3.883939204e+00 2.34 3.312491334e+00 3.312491334e+00 2.36 2.777409299e+00 2.777409299e+00 2.38 2.276774719e+00 2.276774719e+00 2.40 1.808799301e+00 1.808799301e+00 2.42 1.371798244e+00 1.371798244e+00 2.44 9.641700736e-01 9.641700736e-01 2.46 5.843694074e-01 5.843694074e-01 2.48 2.308868625e-01 2.308868625e-01 2.50 -9.776384640e-02 -9.776384640e-02 2.52 -4.030477292e-01 -4.030477292e-01 2.54 -6.864007333e-01 -6.864007333e-01 2.56 -9.492533475e-01 -9.492533475e-01 2.58 -1.192973532e+00 -1.192973532e+00 2.60 -1.418782853e+00 -1.418782853e+00 2.62 -1.627855502e+00 -1.627855502e+00 2.64 -1.821318925e+00 -1.821318925e+00 2.66 -2.000232475e+00 -2.000232475e+00 2.68 -2.165581159e+00 -2.165581159e+00 2.70 -2.318263914e+00 -2.318263914e+00 2.72 -2.459072135e+00 -2.459072135e+00 2.74 -2.588612397e+00 -2.588612397e+00 2.76 -2.707415797e+00 -2.707415797e+00 2.78 -2.815985272e+00 -2.815985272e+00 2.80 -2.914802159e+00 -2.914802159e+00 2.82 -3.004315442e+00 -3.004315442e+00 2.84 -3.084950916e+00 -3.084950916e+00 2.86 -3.157111421e+00 -3.157111421e+00 2.88 -3.221180395e+00 -3.221180395e+00 2.90 -3.277526486e+00 -3.277526486e+00 2.92 -3.326509026e+00 -3.326509026e+00 2.94 -3.368484224e+00 -3.368484224e+00 2.96 -3.403811705e+00 -3.403811705e+00 2.98 -3.432860756e+00 -3.432860756e+00 3.00 -3.456055277e+00 -3.456055277e+00 3.02 -3.474800092e+00 -3.474800092e+00 3.04 -3.489608925e+00 -3.489608925e+00 3.06 -3.500499740e+00 -3.500499740e+00 3.08 -3.507540769e+00 -3.507540769e+00 3.10 -3.510843946e+00 -3.510843946e+00 3.12 -3.510548512e+00 -3.510548512e+00 3.14 -3.506816201e+00 -3.506816201e+00 3.16 -3.499810415e+00 -3.499810415e+00 3.18 -3.489698003e+00 -3.489698003e+00 3.20 -3.476652187e+00 -3.476652187e+00 3.22 -3.460857435e+00 -3.460857435e+00 3.24 -3.442491476e+00 -3.442491476e+00 3.26 -3.421726042e+00 -3.421726042e+00 3.28 -3.398729376e+00 -3.398729376e+00 3.30 -3.373667626e+00 -3.373667626e+00 3.32 -3.346704531e+00 -3.346704531e+00 3.34 -3.317999373e+00 -3.317999373e+00 3.36 -3.287703834e+00 -3.287703834e+00 3.38 -3.255958825e+00 -3.255958825e+00 3.40 -3.222891378e+00 -3.222891378e+00 3.42 -3.188618395e+00 -3.188618395e+00 3.44 -3.153241187e+00 -3.153241187e+00 3.46 -3.116852498e+00 -3.116852498e+00 3.48 -3.079537867e+00 -3.079537867e+00 3.50 -3.041396672e+00 -3.041396672e+00 3.52 -3.002509046e+00 -3.002509046e+00 3.54 -2.962931652e+00 -2.962931652e+00 3.56 -2.922722412e+00 -2.922722412e+00 3.58 -2.881939756e+00 -2.881939756e+00 3.60 -2.840641696e+00 -2.840641696e+00 3.62 -2.798884932e+00 -2.798884932e+00 3.64 -2.756724122e+00 -2.756724122e+00 3.66 -2.714211394e+00 -2.714211394e+00 3.68 -2.671396148e+00 -2.671396148e+00 3.70 -2.628324539e+00 -2.628324539e+00 3.72 -2.585036491e+00 -2.585036491e+00 3.74 -2.541568525e+00 -2.541568525e+00 3.76 -2.497957371e+00 -2.497957371e+00 3.78 -2.454240622e+00 -2.454240622e+00 3.80 -2.410457404e+00 -2.410457404e+00 3.82 -2.366648816e+00 -2.366648816e+00 3.84 -2.322857946e+00 -2.322857946e+00 3.86 -2.279129278e+00 -2.279129278e+00 3.88 -2.235507418e+00 -2.235507418e+00 3.90 -2.192035246e+00 -2.192035246e+00 3.92 -2.148750348e+00 -2.148750348e+00 3.94 -2.105688919e+00 -2.105688919e+00 3.96 -2.062874881e+00 -2.062874881e+00 3.98 -2.020325769e+00 -2.020325769e+00 4.00 -1.978051208e+00 -1.978051208e+00 4.02 -1.936053939e+00 -1.936053939e+00 4.04 -1.894331415e+00 -1.894331415e+00 4.06 -1.852877680e+00 -1.852877680e+00 4.08 -1.811685316e+00 -1.811685316e+00 4.10 -1.770742610e+00 -1.770742610e+00 4.12 -1.730054909e+00 -1.730054909e+00 4.14 -1.689615291e+00 -1.689615291e+00 4.16 -1.649427795e+00 -1.649427795e+00 4.18 -1.609503014e+00 -1.609503014e+00 4.20 -1.569859304e+00 -1.569859304e+00 4.22 -1.530523696e+00 -1.530523696e+00 4.24 -1.491532390e+00 -1.491532390e+00 4.26 -1.452930624e+00 -1.452930624e+00 4.28 -1.414771802e+00 -1.414771802e+00 4.30 -1.377115775e+00 -1.377115775e+00 4.32 -1.340026331e+00 -1.340026331e+00 4.34 -1.303568034e+00 -1.303568034e+00 4.36 -1.267802717e+00 -1.267802717e+00 4.38 -1.232785972e+00 -1.232785972e+00 4.40 -1.198564014e+00 -1.198564014e+00 4.42 -1.165171260e+00 -1.165171260e+00 4.44 -1.132628803e+00 -1.132628803e+00 4.46 -1.100943875e+00 -1.100943875e+00 4.48 -1.070110218e+00 -1.070110218e+00 4.50 -1.040109197e+00 -1.040109197e+00 4.52 -1.010911427e+00 -1.010911427e+00 4.54 -9.824786774e-01 -9.824786774e-01 4.56 -9.547658460e-01 -9.547658460e-01 4.58 -9.277228524e-01 -9.277228524e-01 4.60 -9.012963474e-01 -9.012963474e-01 4.62 -8.754312052e-01 -8.754312052e-01 4.64 -8.500718024e-01 -8.500718024e-01 4.66 -8.251631191e-01 -8.251631191e-01 4.68 -8.006517178e-01 -8.006517178e-01 4.70 -7.764866582e-01 -7.764866582e-01 4.72 -7.526204061e-01 -7.526204061e-01 4.74 -7.290097797e-01 -7.290097797e-01 4.76 -7.056169617e-01 -7.056169617e-01 4.78 -6.824105822e-01 -6.824105822e-01 4.80 -6.593631768e-01 -6.593631768e-01 4.82 -6.364676341e-01 -6.364676341e-01 4.84 -6.137142688e-01 -6.137142688e-01 4.86 -5.911084552e-01 -5.911084552e-01 4.88 -5.686667954e-01 -5.686667954e-01 4.90 -5.464172683e-01 -5.464172683e-01 4.92 -5.243988362e-01 -5.243988362e-01 4.94 -5.026604238e-01 -5.026604238e-01 4.96 -4.812592440e-01 -4.812592440e-01 4.98 -4.602585071e-01 -4.602585071e-01 5.00 -4.397246341e-01 -4.397246341e-01 5.02 -4.197241575e-01 -4.197241575e-01 5.04 -4.003205509e-01 -4.003205509e-01 5.06 -3.815712454e-01 -3.815712454e-01 5.08 -3.635250758e-01 -3.635250758e-01 5.10 -3.462203518e-01 -3.462203518e-01 5.12 -3.296836724e-01 -3.296836724e-01 5.14 -3.139295186e-01 -3.139295186e-01 5.16 -2.989605754e-01 -2.989605754e-01 5.18 -2.847686700e-01 -2.847686700e-01 5.20 -2.713361711e-01 -2.713361711e-01 5.22 -2.586376787e-01 -2.586376787e-01 5.24 -2.466418405e-01 -2.466418405e-01 5.26 -2.353131552e-01 -2.353131552e-01 5.28 -2.246136550e-01 -2.246136550e-01 5.30 -2.145043945e-01 -2.145043945e-01 5.32 -2.049467058e-01 -2.049467058e-01 5.34 -1.959032037e-01 -1.959032037e-01 5.36 -1.873385423e-01 -1.873385423e-01 5.38 -1.792199389e-01 -1.792199389e-01 5.40 -1.715174826e-01 -1.715174826e-01 5.42 -1.642042506e-01 -1.642042506e-01 5.44 -1.572562336e-01 -1.572562336e-01 5.46 -1.506519789e-01 -1.506519789e-01 5.48 -1.443727520e-01 -1.443727520e-01 5.50 -1.384018713e-01 -1.384018713e-01 5.52 -1.327241942e-01 -1.327241942e-01 5.54 -1.273256914e-01 -1.273256914e-01 5.56 -1.221930447e-01 -1.221930447e-01 5.58 -1.173133023e-01 -1.173133023e-01 5.60 -1.126736111e-01 -1.126736111e-01 5.62 -1.082609828e-01 -1.082609828e-01 5.64 -1.040617914e-01 -1.040617914e-01 5.66 -1.000630146e-01 -1.000630146e-01 5.68 -9.625160089e-02 -9.625160089e-02 5.70 -9.261436596e-02 -9.261436596e-02 5.72 -8.913816987e-02 -8.913816987e-02 5.74 -8.581009106e-02 -8.581009106e-02 5.76 -8.261758537e-02 -8.261758537e-02 5.78 -7.954862178e-02 -7.954862178e-02 5.80 -7.659179097e-02 -7.659179097e-02 5.82 -7.373638677e-02 -7.373638677e-02 5.84 -7.097246239e-02 -7.097246239e-02 5.86 -6.829086526e-02 -6.829086526e-02 5.88 -6.568325447e-02 -6.568325447e-02 5.90 -6.314210492e-02 -6.314210492e-02 5.92 -6.066070174e-02 -6.066070174e-02 5.94 -5.823312789e-02 -5.823312789e-02 5.96 -5.585424724e-02 -5.585424724e-02 5.98 -5.351968465e-02 -5.351968465e-02 6.00 -5.122580420e-02 -5.122580420e-02