# 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 = Pt2TiZr # 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 4.426476343e+02 4.426476343e+02 1.30 4.141956865e+02 4.141956865e+02 1.32 3.876316398e+02 3.876316398e+02 1.34 3.628168020e+02 3.628168020e+02 1.36 3.396228940e+02 3.396228940e+02 1.38 3.179309923e+02 3.179309923e+02 1.40 2.976329840e+02 2.976329840e+02 1.42 2.786332439e+02 2.786332439e+02 1.44 2.608456568e+02 2.608456568e+02 1.46 2.441878314e+02 2.441878314e+02 1.48 2.285791017e+02 2.285791017e+02 1.50 2.139432731e+02 2.139432731e+02 1.52 2.002112557e+02 2.002112557e+02 1.54 1.873204414e+02 1.873204414e+02 1.56 1.752123458e+02 1.752123458e+02 1.58 1.638301855e+02 1.638301855e+02 1.60 1.531180820e+02 1.531180820e+02 1.62 1.430219963e+02 1.430219963e+02 1.64 1.334919922e+02 1.334919922e+02 1.66 1.244844856e+02 1.244844856e+02 1.68 1.159638001e+02 1.159638001e+02 1.70 1.079021775e+02 1.079021775e+02 1.72 1.002779186e+02 1.002779186e+02 1.74 9.307195351e+01 9.307195351e+01 1.76 8.626434756e+01 8.626434756e+01 1.78 7.983248461e+01 7.983248461e+01 1.80 7.375174258e+01 7.375174258e+01 1.82 6.799765479e+01 6.799765479e+01 1.84 6.254849623e+01 6.254849623e+01 1.86 5.738681381e+01 5.738681381e+01 1.88 5.249940192e+01 5.249940192e+01 1.90 4.787604488e+01 4.787604488e+01 1.92 4.350671393e+01 4.350671393e+01 1.94 3.939391513e+01 3.939391513e+01 1.96 3.559997415e+01 3.559997415e+01 1.98 3.210999770e+01 3.210999770e+01 2.00 2.889699173e+01 2.889699173e+01 2.02 2.593645250e+01 2.593645250e+01 2.04 2.320667922e+01 2.320667922e+01 2.06 2.068869524e+01 2.068869524e+01 2.08 1.836594190e+01 1.836594190e+01 2.10 1.622388769e+01 1.622388769e+01 2.12 1.424951523e+01 1.424951523e+01 2.14 1.243086540e+01 1.243086540e+01 2.16 1.075666807e+01 1.075666807e+01 2.18 9.216171440e+00 9.216171440e+00 2.20 7.799165977e+00 7.799165977e+00 2.22 6.496089752e+00 6.496089752e+00 2.24 5.298136958e+00 5.298136958e+00 2.26 4.197316641e+00 4.197316641e+00 2.28 3.186444671e+00 3.186444671e+00 2.30 2.259102262e+00 2.259102262e+00 2.32 1.409551570e+00 1.409551570e+00 2.34 6.325995374e-01 6.325995374e-01 2.36 -7.649612937e-02 -7.649612937e-02 2.38 -7.221304807e-01 -7.221304807e-01 2.40 -1.308431323e+00 -1.308431323e+00 2.42 -1.839332558e+00 -1.839332558e+00 2.44 -2.318634389e+00 -2.318634389e+00 2.46 -2.750060409e+00 -2.750060409e+00 2.48 -3.137290077e+00 -3.137290077e+00 2.50 -3.483964178e+00 -3.483964178e+00 2.52 -3.793659932e+00 -3.793659932e+00 2.54 -4.069837566e+00 -4.069837566e+00 2.56 -4.315765249e+00 -4.315765249e+00 2.58 -4.534437426e+00 -4.534437426e+00 2.60 -4.728508509e+00 -4.728508509e+00 2.62 -4.900261132e+00 -4.900261132e+00 2.64 -5.051620644e+00 -5.051620644e+00 2.66 -5.184197225e+00 -5.184197225e+00 2.68 -5.299353016e+00 -5.299353016e+00 2.70 -5.398298995e+00 -5.398298995e+00 2.72 -5.482099743e+00 -5.482099743e+00 2.74 -5.551653096e+00 -5.551653096e+00 2.76 -5.607800000e+00 -5.607800000e+00 2.78 -5.651808110e+00 -5.651808110e+00 2.80 -5.686225087e+00 -5.686225087e+00 2.82 -5.711465580e+00 -5.711465580e+00 2.84 -5.727737076e+00 -5.727737076e+00 2.86 -5.735289497e+00 -5.735289497e+00 2.88 -5.734400922e+00 -5.734400922e+00 2.90 -5.725360786e+00 -5.725360786e+00 2.92 -5.708471867e+00 -5.708471867e+00 2.94 -5.684119433e+00 -5.684119433e+00 2.96 -5.652788930e+00 -5.652788930e+00 2.98 -5.615052550e+00 -5.615052550e+00 3.00 -5.571544877e+00 -5.571544877e+00 3.02 -5.522929314e+00 -5.522929314e+00 3.04 -5.469858457e+00 -5.469858457e+00 3.06 -5.412945249e+00 -5.412945249e+00 3.08 -5.352721500e+00 -5.352721500e+00 3.10 -5.289592190e+00 -5.289592190e+00 3.12 -5.223848338e+00 -5.223848338e+00 3.14 -5.155721458e+00 -5.155721458e+00 3.16 -5.085382223e+00 -5.085382223e+00 3.18 -5.012969633e+00 -5.012969633e+00 3.20 -4.938604446e+00 -4.938604446e+00 3.22 -4.862403408e+00 -4.862403408e+00 3.24 -4.784490341e+00 -4.784490341e+00 3.26 -4.705003866e+00 -4.705003866e+00 3.28 -4.624101463e+00 -4.624101463e+00 3.30 -4.541959518e+00 -4.541959518e+00 3.32 -4.458769294e+00 -4.458769294e+00 3.34 -4.374729543e+00 -4.374729543e+00 3.36 -4.290037429e+00 -4.290037429e+00 3.38 -4.204879921e+00 -4.204879921e+00 3.40 -4.119426811e+00 -4.119426811e+00 3.42 -4.033831336e+00 -4.033831336e+00 3.44 -3.948225426e+00 -3.948225426e+00 3.46 -3.862726396e+00 -3.862726396e+00 3.48 -3.777439826e+00 -3.777439826e+00 3.50 -3.692463215e+00 -3.692463215e+00 3.52 -3.607888527e+00 -3.607888527e+00 3.54 -3.523803209e+00 -3.523803209e+00 3.56 -3.440289634e+00 -3.440289634e+00 3.58 -3.357423271e+00 -3.357423271e+00 3.60 -3.275270130e+00 -3.275270130e+00 3.62 -3.193884163e+00 -3.193884163e+00 3.64 -3.113305274e+00 -3.113305274e+00 3.66 -3.033558426e+00 -3.033558426e+00 3.68 -2.954654052e+00 -2.954654052e+00 3.70 -2.876589751e+00 -2.876589751e+00 3.72 -2.799366010e+00 -2.799366010e+00 3.74 -2.723038853e+00 -2.723038853e+00 3.76 -2.647668570e+00 -2.647668570e+00 3.78 -2.573302091e+00 -2.573302091e+00 3.80 -2.499978339e+00 -2.499978339e+00 3.82 -2.427732600e+00 -2.427732600e+00 3.84 -2.356599624e+00 -2.356599624e+00 3.86 -2.286615247e+00 -2.286615247e+00 3.88 -2.217816504e+00 -2.217816504e+00 3.90 -2.150240478e+00 -2.150240478e+00 3.92 -2.083920979e+00 -2.083920979e+00 3.94 -2.018892100e+00 -2.018892100e+00 3.96 -1.955177562e+00 -1.955177562e+00 3.98 -1.892796346e+00 -1.892796346e+00 4.00 -1.831761486e+00 -1.831761486e+00 4.02 -1.772081662e+00 -1.772081662e+00 4.04 -1.713763590e+00 -1.713763590e+00 4.06 -1.656814770e+00 -1.656814770e+00 4.08 -1.601246073e+00 -1.601246073e+00 4.10 -1.547070020e+00 -1.547070020e+00 4.12 -1.494317421e+00 -1.494317421e+00 4.14 -1.443012407e+00 -1.443012407e+00 4.16 -1.393188460e+00 -1.393188460e+00 4.18 -1.344881000e+00 -1.344881000e+00 4.20 -1.298123737e+00 -1.298123737e+00 4.22 -1.252944528e+00 -1.252944528e+00 4.24 -1.209361280e+00 -1.209361280e+00 4.26 -1.167378455e+00 -1.167378455e+00 4.28 -1.126984617e+00 -1.126984617e+00 4.30 -1.088151297e+00 -1.088151297e+00 4.32 -1.050833233e+00 -1.050833233e+00 4.34 -1.014969803e+00 -1.014969803e+00 4.36 -9.804873694e-01 -9.804873694e-01 4.38 -9.473021253e-01 -9.473021253e-01 4.40 -9.153230949e-01 -9.153230949e-01 4.42 -8.844549725e-01 -8.844549725e-01 4.44 -8.546006061e-01 -8.546006061e-01 4.46 -8.256630260e-01 -8.256630260e-01 4.48 -7.975470128e-01 -7.975470128e-01 4.50 -7.701602640e-01 -7.701602640e-01 4.52 -7.434142586e-01 -7.434142586e-01 4.54 -7.172249373e-01 -7.172249373e-01 4.56 -6.915133183e-01 -6.915133183e-01 4.58 -6.662061516e-01 -6.662061516e-01 4.60 -6.412367003e-01 -6.412367003e-01 4.62 -6.165457038e-01 -6.165457038e-01 4.64 -5.920825467e-01 -5.920825467e-01 4.66 -5.678066203e-01 -5.678066203e-01 4.68 -5.436888157e-01 -5.436888157e-01 4.70 -5.197130482e-01 -5.197130482e-01 4.72 -4.958776638e-01 -4.958776638e-01 4.74 -4.721965446e-01 -4.721965446e-01 4.76 -4.486997106e-01 -4.486997106e-01 4.78 -4.254332166e-01 -4.254332166e-01 4.80 -4.024551127e-01 -4.024551127e-01 4.82 -3.798462861e-01 -3.798462861e-01 4.84 -3.576875396e-01 -3.576875396e-01 4.86 -3.360698577e-01 -3.360698577e-01 4.88 -3.150863978e-01 -3.150863978e-01 4.90 -2.948279112e-01 -2.948279112e-01 4.92 -2.753782928e-01 -2.753782928e-01 4.94 -2.568106362e-01 -2.568106362e-01 4.96 -2.391841057e-01 -2.391841057e-01 4.98 -2.225418311e-01 -2.225418311e-01 5.00 -2.069098985e-01 -2.069098985e-01 5.02 -1.922973897e-01 -1.922973897e-01 5.04 -1.786973221e-01 -1.786973221e-01 5.06 -1.660882801e-01 -1.660882801e-01 5.08 -1.544365114e-01 -1.544365114e-01 5.10 -1.436982664e-01 -1.436982664e-01 5.12 -1.338221988e-01 -1.338221988e-01 5.14 -1.247516812e-01 -1.247516812e-01 5.16 -1.164269368e-01 -1.164269368e-01 5.18 -1.087869231e-01 -1.087869231e-01 5.20 -1.017709382e-01 -1.017709382e-01 5.22 -9.531993833e-02 -9.531993833e-02 5.24 -8.937757830e-02 -8.937757830e-02 5.26 -8.389099794e-02 -8.389099794e-02 5.28 -7.881137921e-02 -7.881137921e-02 5.30 -7.409417721e-02 -7.409417721e-02 5.32 -6.969945887e-02 -6.969945887e-02 5.34 -6.559225947e-02 -6.559225947e-02 5.36 -6.174210435e-02 -6.174210435e-02 5.38 -5.812288199e-02 -5.812288199e-02 5.40 -5.471262266e-02 -5.471262266e-02 5.42 -5.149318529e-02 -5.149318529e-02 5.44 -4.844986651e-02 -4.844986651e-02 5.46 -4.557094589e-02 -4.557094589e-02 5.48 -4.284718526e-02 -4.284718526e-02 5.50 -4.027130329e-02 -4.027130329e-02 5.52 -3.783745138e-02 -3.783745138e-02 5.54 -3.554072029e-02 -3.554072029e-02 5.56 -3.337670275e-02 -3.337670275e-02 5.58 -3.134113487e-02 -3.134113487e-02 5.60 -2.942962373e-02 -2.942962373e-02 5.62 -2.763731123e-02 -2.763731123e-02 5.64 -2.595919579e-02 -2.595919579e-02 5.66 -2.438999197e-02 -2.438999197e-02 5.68 -2.292407133e-02 -2.292407133e-02 5.70 -2.155557709e-02 -2.155557709e-02 5.72 -2.027855350e-02 -2.027855350e-02 5.74 -1.908707153e-02 -1.908707153e-02 5.76 -1.797533709e-02 -1.797533709e-02 5.78 -1.693777358e-02 -1.693777358e-02 5.80 -1.596907546e-02 -1.596907546e-02 5.82 -1.506423422e-02 -1.506423422e-02 5.84 -1.421854084e-02 -1.421854084e-02 5.86 -1.342757120e-02 -1.342757120e-02 5.88 -1.268716129e-02 -1.268716129e-02 5.90 -1.199337868e-02 -1.199337868e-02 5.92 -1.134249580e-02 -1.134249580e-02 5.94 -1.073096865e-02 -1.073096865e-02 5.96 -1.015542320e-02 -1.015542320e-02 5.98 -9.612649998e-03 -9.612649998e-03 6.00 -9.099606380e-03 -9.099606380e-03