# 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 = PbTi2W # 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 4.058062043e+02 4.058062043e+02 1.30 3.773213029e+02 3.773213029e+02 1.32 3.508944877e+02 3.508944877e+02 1.34 3.263748512e+02 3.263748512e+02 1.36 3.036233508e+02 3.036233508e+02 1.38 2.825088188e+02 2.825088188e+02 1.40 2.629062723e+02 2.629062723e+02 1.42 2.446973123e+02 2.446973123e+02 1.44 2.277714165e+02 2.277714165e+02 1.46 2.120268695e+02 2.120268695e+02 1.48 1.973708849e+02 1.973708849e+02 1.50 1.837192378e+02 1.837192378e+02 1.52 1.709957598e+02 1.709957598e+02 1.54 1.591317376e+02 1.591317376e+02 1.56 1.480651543e+02 1.480651543e+02 1.58 1.377397627e+02 1.377397627e+02 1.60 1.281041379e+02 1.281041379e+02 1.62 1.191109738e+02 1.191109738e+02 1.64 1.107166607e+02 1.107166607e+02 1.66 1.028809951e+02 1.028809951e+02 1.68 9.556687164e+01 9.556687164e+01 1.70 8.873998788e+01 8.873998788e+01 1.72 8.236852475e+01 8.236852475e+01 1.74 7.642274624e+01 7.642274624e+01 1.76 7.087452554e+01 7.087452554e+01 1.78 6.569696654e+01 6.569696654e+01 1.80 6.086428773e+01 6.086428773e+01 1.82 5.635199105e+01 5.635199105e+01 1.84 5.213715508e+01 5.213715508e+01 1.86 4.819897631e+01 4.819897631e+01 1.88 4.451862130e+01 4.451862130e+01 1.90 4.107983927e+01 4.107983927e+01 1.92 3.787188205e+01 3.787188205e+01 1.94 3.488044578e+01 3.488044578e+01 1.96 3.209141371e+01 3.209141371e+01 1.98 2.949157475e+01 2.949157475e+01 2.00 2.706846762e+01 2.706846762e+01 2.02 2.481027252e+01 2.481027252e+01 2.04 2.270574126e+01 2.270574126e+01 2.06 2.074417118e+01 2.074417118e+01 2.08 1.891542368e+01 1.891542368e+01 2.10 1.720997698e+01 1.720997698e+01 2.12 1.561897928e+01 1.561897928e+01 2.14 1.413427829e+01 1.413427829e+01 2.16 1.274842144e+01 1.274842144e+01 2.18 1.145462936e+01 1.145462936e+01 2.20 1.024674342e+01 1.024674342e+01 2.22 9.119157616e+00 9.119157616e+00 2.24 8.066741228e+00 8.066741228e+00 2.26 7.084767865e+00 7.084767865e+00 2.28 6.168855497e+00 6.168855497e+00 2.30 5.314928209e+00 5.314928209e+00 2.32 4.519174096e+00 4.519174096e+00 2.34 3.778018040e+00 3.778018040e+00 2.36 3.088091386e+00 3.088091386e+00 2.38 2.446213812e+00 2.446213812e+00 2.40 1.849382234e+00 1.849382234e+00 2.42 1.294765276e+00 1.294765276e+00 2.44 7.796986691e-01 7.796986691e-01 2.46 3.016813582e-01 3.016813582e-01 2.48 -1.416300110e-01 -1.416300110e-01 2.50 -5.524237683e-01 -5.524237683e-01 2.52 -9.326774331e-01 -9.326774331e-01 2.54 -1.284324782e+00 -1.284324782e+00 2.56 -1.609199198e+00 -1.609199198e+00 2.58 -1.908994299e+00 -1.908994299e+00 2.60 -2.185274921e+00 -2.185274921e+00 2.62 -2.439490191e+00 -2.439490191e+00 2.64 -2.672990472e+00 -2.672990472e+00 2.66 -2.887038981e+00 -2.887038981e+00 2.68 -3.082821471e+00 -3.082821471e+00 2.70 -3.261340786e+00 -3.261340786e+00 2.72 -3.423448540e+00 -3.423448540e+00 2.74 -3.569981699e+00 -3.569981699e+00 2.76 -3.701760979e+00 -3.701760979e+00 2.78 -3.819582019e+00 -3.819582019e+00 2.80 -3.924211977e+00 -3.924211977e+00 2.82 -4.016466453e+00 -4.016466453e+00 2.84 -4.096975639e+00 -4.096975639e+00 2.86 -4.166278868e+00 -4.166278868e+00 2.88 -4.224889699e+00 -4.224889699e+00 2.90 -4.273296261e+00 -4.273296261e+00 2.92 -4.311964843e+00 -4.311964843e+00 2.94 -4.341346647e+00 -4.341346647e+00 2.96 -4.361887496e+00 -4.361887496e+00 2.98 -4.374007973e+00 -4.374007973e+00 3.00 -4.377989155e+00 -4.377989155e+00 3.02 -4.374119944e+00 -4.374119944e+00 3.04 -4.362753798e+00 -4.362753798e+00 3.06 -4.344297602e+00 -4.344297602e+00 3.08 -4.319186022e+00 -4.319186022e+00 3.10 -4.287863166e+00 -4.287863166e+00 3.12 -4.250761584e+00 -4.250761584e+00 3.14 -4.208291145e+00 -4.208291145e+00 3.16 -4.160828929e+00 -4.160828929e+00 3.18 -4.108720993e+00 -4.108720993e+00 3.20 -4.052284408e+00 -4.052284408e+00 3.22 -3.991811576e+00 -3.991811576e+00 3.24 -3.927575015e+00 -3.927575015e+00 3.26 -3.859832350e+00 -3.859832350e+00 3.28 -3.788842868e+00 -3.788842868e+00 3.30 -3.714880227e+00 -3.714880227e+00 3.32 -3.638154920e+00 -3.638154920e+00 3.34 -3.558894681e+00 -3.558894681e+00 3.36 -3.477355813e+00 -3.477355813e+00 3.38 -3.393826165e+00 -3.393826165e+00 3.40 -3.308627083e+00 -3.308627083e+00 3.42 -3.222114325e+00 -3.222114325e+00 3.44 -3.134674717e+00 -3.134674717e+00 3.46 -3.046717231e+00 -3.046717231e+00 3.48 -2.958665236e+00 -2.958665236e+00 3.50 -2.870953018e+00 -2.870953018e+00 3.52 -2.784013120e+00 -2.784013120e+00 3.54 -2.698262026e+00 -2.698262026e+00 3.56 -2.614085446e+00 -2.614085446e+00 3.58 -2.531824439e+00 -2.531824439e+00 3.60 -2.451763815e+00 -2.451763815e+00 3.62 -2.374124249e+00 -2.374124249e+00 3.64 -2.299059095e+00 -2.299059095e+00 3.66 -2.226656191e+00 -2.226656191e+00 3.68 -2.156944028e+00 -2.156944028e+00 3.70 -2.089901047e+00 -2.089901047e+00 3.72 -2.025466454e+00 -2.025466454e+00 3.74 -1.963551092e+00 -1.963551092e+00 3.76 -1.904047251e+00 -1.904047251e+00 3.78 -1.846836808e+00 -1.846836808e+00 3.80 -1.791797512e+00 -1.791797512e+00 3.82 -1.738807530e+00 -1.738807530e+00 3.84 -1.687748569e+00 -1.687748569e+00 3.86 -1.638507869e+00 -1.638507869e+00 3.88 -1.590979406e+00 -1.590979406e+00 3.90 -1.545064510e+00 -1.545064510e+00 3.92 -1.500671571e+00 -1.500671571e+00 3.94 -1.457718112e+00 -1.457718112e+00 3.96 -1.416127133e+00 -1.416127133e+00 3.98 -1.375829065e+00 -1.375829065e+00 4.00 -1.336760616e+00 -1.336760616e+00 4.02 -1.298864194e+00 -1.298864194e+00 4.04 -1.262087302e+00 -1.262087302e+00 4.06 -1.226381940e+00 -1.226381940e+00 4.08 -1.191704033e+00 -1.191704033e+00 4.10 -1.158011569e+00 -1.158011569e+00 4.12 -1.125269665e+00 -1.125269665e+00 4.14 -1.093441422e+00 -1.093441422e+00 4.16 -1.062493690e+00 -1.062493690e+00 4.18 -1.032395150e+00 -1.032395150e+00 4.20 -1.003116077e+00 -1.003116077e+00 4.22 -9.746281673e-01 -9.746281673e-01 4.24 -9.469044085e-01 -9.469044085e-01 4.26 -9.199190067e-01 -9.199190067e-01 4.28 -8.936473444e-01 -8.936473444e-01 4.30 -8.680659703e-01 -8.680659703e-01 4.32 -8.431526040e-01 -8.431526040e-01 4.34 -8.188861496e-01 -8.188861496e-01 4.36 -7.952467025e-01 -7.952467025e-01 4.38 -7.722155444e-01 -7.722155444e-01 4.40 -7.497751157e-01 -7.497751157e-01 4.42 -7.279089633e-01 -7.279089633e-01 4.44 -7.066016607e-01 -7.066016607e-01 4.46 -6.858387024e-01 -6.858387024e-01 4.48 -6.656063784e-01 -6.656063784e-01 4.50 -6.458916327e-01 -6.458916327e-01 4.52 -6.266819148e-01 -6.266819148e-01 4.54 -6.079650319e-01 -6.079650319e-01 4.56 -5.897290080e-01 -5.897290080e-01 4.58 -5.719619570e-01 -5.719619570e-01 4.60 -5.546519735e-01 -5.546519735e-01 4.62 -5.377870466e-01 -5.377870466e-01 4.64 -5.213549984e-01 -5.213549984e-01 4.66 -5.053434489e-01 -5.053434489e-01 4.68 -4.897398098e-01 -4.897398098e-01 4.70 -4.745313090e-01 -4.745313090e-01 4.72 -4.597050465e-01 -4.597050465e-01 4.74 -4.452480846e-01 -4.452480846e-01 4.76 -4.311475741e-01 -4.311475741e-01 4.78 -4.173909174e-01 -4.173909174e-01 4.80 -4.039651712e-01 -4.039651712e-01 4.82 -3.908605976e-01 -3.908605976e-01 4.84 -3.780657415e-01 -3.780657415e-01 4.86 -3.655713219e-01 -3.655713219e-01 4.88 -3.533695602e-01 -3.533695602e-01 4.90 -3.414544288e-01 -3.414544288e-01 4.92 -3.298218432e-01 -3.298218432e-01 4.94 -3.184697630e-01 -3.184697630e-01 4.96 -3.073981697e-01 -3.073981697e-01 4.98 -2.966088964e-01 -2.966088964e-01 5.00 -2.861053005e-01 -2.861053005e-01 5.02 -2.758917872e-01 -2.758917872e-01 5.04 -2.659732173e-01 -2.659732173e-01 5.06 -2.563542539e-01 -2.563542539e-01 5.08 -2.470387125e-01 -2.470387125e-01 5.10 -2.380289876e-01 -2.380289876e-01 5.12 -2.293256136e-01 -2.293256136e-01 5.14 -2.209270004e-01 -2.209270004e-01 5.16 -2.128293560e-01 -2.128293560e-01 5.18 -2.050267803e-01 -2.050267803e-01 5.20 -1.975114949e-01 -1.975114949e-01 5.22 -1.902741594e-01 -1.902741594e-01 5.24 -1.833042225e-01 -1.833042225e-01 5.26 -1.765902635e-01 -1.765902635e-01 5.28 -1.701202915e-01 -1.701202915e-01 5.30 -1.638819818e-01 -1.638819818e-01 5.32 -1.578628468e-01 -1.578628468e-01 5.34 -1.520503460e-01 -1.520503460e-01 5.36 -1.464319490e-01 -1.464319490e-01 5.38 -1.409951692e-01 -1.409951692e-01 5.40 -1.357275840e-01 -1.357275840e-01 5.42 -1.306168593e-01 -1.306168593e-01 5.44 -1.256507877e-01 -1.256507877e-01 5.46 -1.208173511e-01 -1.208173511e-01 5.48 -1.161048094e-01 -1.161048094e-01 5.50 -1.115018204e-01 -1.115018204e-01 5.52 -1.069975858e-01 -1.069975858e-01 5.54 -1.025820247e-01 -1.025820247e-01 5.56 -9.824596666e-02 -9.824596666e-02 5.58 -9.398136114e-02 -9.398136114e-02 5.60 -8.978149303e-02 -8.978149303e-02 5.62 -8.564119531e-02 -8.564119531e-02 5.64 -8.155704473e-02 -8.155704473e-02 5.66 -7.752752580e-02 -7.752752580e-02 5.68 -7.355314252e-02 -7.355314252e-02 5.70 -6.963646327e-02 -6.963646327e-02 5.72 -6.578207901e-02 -6.578207901e-02 5.74 -6.199646154e-02 -6.199646154e-02 5.76 -5.828771560e-02 -5.828771560e-02 5.78 -5.466522885e-02 -5.466522885e-02 5.80 -5.113923126e-02 -5.113923126e-02 5.82 -4.772029066e-02 -4.772029066e-02 5.84 -4.441878140e-02 -4.441878140e-02 5.86 -4.124436465e-02 -4.124436465e-02 5.88 -3.820552195e-02 -3.820552195e-02 5.90 -3.530917802e-02 -3.530917802e-02 5.92 -3.256025818e-02 -3.256025818e-02 5.94 -2.996141571e-02 -2.996141571e-02 5.96 -2.751407522e-02 -2.751407522e-02 5.98 -2.521786917e-02 -2.521786917e-02 6.00 -2.307068798e-02 -2.307068798e-02