# 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 = Au2PtW # 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 4.556384311e+02 4.556384311e+02 1.30 4.240435212e+02 4.240435212e+02 1.32 3.946124949e+02 3.946124949e+02 1.34 3.672062243e+02 3.672062243e+02 1.36 3.417063520e+02 3.417063520e+02 1.38 3.179997412e+02 3.179997412e+02 1.40 2.959691876e+02 2.959691876e+02 1.42 2.754931202e+02 2.754931202e+02 1.44 2.564507351e+02 2.564507351e+02 1.46 2.387270550e+02 2.387270550e+02 1.48 2.222152021e+02 2.222152021e+02 1.50 2.068165178e+02 2.068165178e+02 1.52 1.924399657e+02 1.924399657e+02 1.54 1.790016245e+02 1.790016245e+02 1.56 1.664245695e+02 1.664245695e+02 1.58 1.546390614e+02 1.546390614e+02 1.60 1.435827170e+02 1.435827170e+02 1.62 1.332003571e+02 1.332003571e+02 1.64 1.234434162e+02 1.234434162e+02 1.66 1.142691188e+02 1.142691188e+02 1.68 1.056398452e+02 1.056398452e+02 1.70 9.752286243e+01 9.752286243e+01 1.72 8.989004604e+01 8.989004604e+01 1.74 8.271703875e+01 8.271703875e+01 1.76 7.598177592e+01 7.598177592e+01 1.78 6.966293574e+01 6.966293574e+01 1.80 6.373893637e+01 6.373893637e+01 1.82 5.818768470e+01 5.818768470e+01 1.84 5.298715543e+01 5.298715543e+01 1.86 4.812153397e+01 4.812153397e+01 1.88 4.362906680e+01 4.362906680e+01 1.90 3.950132693e+01 3.950132693e+01 1.92 3.570785002e+01 3.570785002e+01 1.94 3.222129057e+01 3.222129057e+01 1.96 2.901707255e+01 2.901707255e+01 1.98 2.607283435e+01 2.607283435e+01 2.00 2.336790567e+01 2.336790567e+01 2.02 2.088298551e+01 2.088298551e+01 2.04 1.860003194e+01 1.860003194e+01 2.06 1.650226917e+01 1.650226917e+01 2.08 1.457420865e+01 1.457420865e+01 2.10 1.280162882e+01 1.280162882e+01 2.12 1.117151142e+01 1.117151142e+01 2.14 9.671962701e+00 9.671962701e+00 2.16 8.292147824e+00 8.292147824e+00 2.18 7.022246291e+00 7.022246291e+00 2.20 5.853414677e+00 5.853414677e+00 2.22 4.777736727e+00 4.777736727e+00 2.24 3.788149847e+00 3.788149847e+00 2.26 2.878350093e+00 2.878350093e+00 2.28 2.042685602e+00 2.042685602e+00 2.30 1.276049455e+00 1.276049455e+00 2.32 5.737802440e-01 5.737802440e-01 2.34 -6.842461299e-02 -6.842461299e-02 2.36 -6.545798559e-01 -6.545798559e-01 2.38 -1.188465550e+00 -1.188465550e+00 2.40 -1.673660792e+00 -1.673660792e+00 2.42 -2.113557735e+00 -2.113557735e+00 2.44 -2.511347529e+00 -2.511347529e+00 2.46 -2.869952941e+00 -2.869952941e+00 2.48 -3.192228329e+00 -3.192228329e+00 2.50 -3.480841624e+00 -3.480841624e+00 2.52 -3.738262863e+00 -3.738262863e+00 2.54 -3.966801618e+00 -3.966801618e+00 2.56 -4.168645231e+00 -4.168645231e+00 2.58 -4.345884603e+00 -4.345884603e+00 2.60 -4.500793607e+00 -4.500793607e+00 2.62 -4.636462413e+00 -4.636462413e+00 2.64 -4.754138299e+00 -4.754138299e+00 2.66 -4.854788312e+00 -4.854788312e+00 2.68 -4.939336853e+00 -4.939336853e+00 2.70 -5.008643997e+00 -5.008643997e+00 2.72 -5.063498454e+00 -5.063498454e+00 2.74 -5.104621319e+00 -5.104621319e+00 2.76 -5.132675756e+00 -5.132675756e+00 2.78 -5.148278704e+00 -5.148278704e+00 2.80 -5.152012647e+00 -5.152012647e+00 2.82 -5.144437264e+00 -5.144437264e+00 2.84 -5.126102000e+00 -5.126102000e+00 2.86 -5.097560733e+00 -5.097560733e+00 2.88 -5.059389102e+00 -5.059389102e+00 2.90 -5.012203734e+00 -5.012203734e+00 2.92 -4.956768253e+00 -4.956768253e+00 2.94 -4.893868312e+00 -4.893868312e+00 2.96 -4.824201807e+00 -4.824201807e+00 2.98 -4.748561212e+00 -4.748561212e+00 3.00 -4.667807329e+00 -4.667807329e+00 3.02 -4.582830094e+00 -4.582830094e+00 3.04 -4.494503320e+00 -4.494503320e+00 3.06 -4.403640906e+00 -4.403640906e+00 3.08 -4.310960800e+00 -4.310960800e+00 3.10 -4.217052606e+00 -4.217052606e+00 3.12 -4.122371186e+00 -4.122371186e+00 3.14 -4.027249341e+00 -4.027249341e+00 3.16 -3.931910146e+00 -3.931910146e+00 3.18 -3.836484805e+00 -3.836484805e+00 3.20 -3.741064615e+00 -3.741064615e+00 3.22 -3.645820272e+00 -3.645820272e+00 3.24 -3.550859358e+00 -3.550859358e+00 3.26 -3.456210336e+00 -3.456210336e+00 3.28 -3.361862152e+00 -3.361862152e+00 3.30 -3.267793710e+00 -3.267793710e+00 3.32 -3.173995343e+00 -3.173995343e+00 3.34 -3.080484047e+00 -3.080484047e+00 3.36 -2.987313702e+00 -2.987313702e+00 3.38 -2.894580986e+00 -2.894580986e+00 3.40 -2.802427361e+00 -2.802427361e+00 3.42 -2.711037282e+00 -2.711037282e+00 3.44 -2.620632798e+00 -2.620632798e+00 3.46 -2.531464915e+00 -2.531464915e+00 3.48 -2.443802308e+00 -2.443802308e+00 3.50 -2.357918322e+00 -2.357918322e+00 3.52 -2.274077395e+00 -2.274077395e+00 3.54 -2.192522142e+00 -2.192522142e+00 3.56 -2.113462252e+00 -2.113462252e+00 3.58 -2.037066061e+00 -2.037066061e+00 3.60 -1.963455336e+00 -1.963455336e+00 3.62 -1.892703357e+00 -1.892703357e+00 3.64 -1.824836036e+00 -1.824836036e+00 3.66 -1.759835508e+00 -1.759835508e+00 3.68 -1.697645520e+00 -1.697645520e+00 3.70 -1.638177877e+00 -1.638177877e+00 3.72 -1.581319275e+00 -1.581319275e+00 3.74 -1.526938010e+00 -1.526938010e+00 3.76 -1.474890146e+00 -1.474890146e+00 3.78 -1.425024920e+00 -1.425024920e+00 3.80 -1.377189264e+00 -1.377189264e+00 3.82 -1.331231408e+00 -1.331231408e+00 3.84 -1.287003633e+00 -1.287003633e+00 3.86 -1.244364256e+00 -1.244364256e+00 3.88 -1.203178970e+00 -1.203178970e+00 3.90 -1.163321675e+00 -1.163321675e+00 3.92 -1.124674950e+00 -1.124674950e+00 3.94 -1.087130312e+00 -1.087130312e+00 3.96 -1.050588376e+00 -1.050588376e+00 3.98 -1.014959075e+00 -1.014959075e+00 4.00 -9.801620075e-01 -9.801620075e-01 4.02 -9.461269965e-01 -9.461269965e-01 4.04 -9.127948614e-01 -9.127948614e-01 4.06 -8.801183797e-01 -8.801183797e-01 4.08 -8.480633287e-01 -8.480633287e-01 4.10 -8.166094373e-01 -8.166094373e-01 4.12 -7.857510636e-01 -7.857510636e-01 4.14 -7.554972823e-01 -7.554972823e-01 4.16 -7.258712577e-01 -7.258712577e-01 4.18 -6.969086692e-01 -6.969086692e-01 4.20 -6.686551773e-01 -6.686551773e-01 4.22 -6.411630276e-01 -6.411630276e-01 4.24 -6.144870420e-01 -6.144870420e-01 4.26 -5.886803571e-01 -5.886803571e-01 4.28 -5.637903206e-01 -5.637903206e-01 4.30 -5.398549246e-01 -5.398549246e-01 4.32 -5.169000713e-01 -5.169000713e-01 4.34 -4.949378290e-01 -4.949378290e-01 4.36 -4.739657114e-01 -4.739657114e-01 4.38 -4.539668950e-01 -4.539668950e-01 4.40 -4.349112189e-01 -4.349112189e-01 4.42 -4.167567708e-01 -4.167567708e-01 4.44 -3.994518575e-01 -3.994518575e-01 4.46 -3.829371730e-01 -3.829371730e-01 4.48 -3.671480036e-01 -3.671480036e-01 4.50 -3.520163486e-01 -3.520163486e-01 4.52 -3.374728714e-01 -3.374728714e-01 4.54 -3.234486350e-01 -3.234486350e-01 4.56 -3.098766118e-01 -3.098766118e-01 4.58 -2.966929815e-01 -2.966929815e-01 4.60 -2.838382533e-01 -2.838382533e-01 4.62 -2.712582515e-01 -2.712582515e-01 4.64 -2.589050059e-01 -2.589050059e-01 4.66 -2.467375747e-01 -2.467375747e-01 4.68 -2.347228101e-01 -2.347228101e-01 4.70 -2.228360547e-01 -2.228360547e-01 4.72 -2.110617326e-01 -2.110617326e-01 4.74 -1.993937774e-01 -1.993937774e-01 4.76 -1.878358243e-01 -1.878358243e-01 4.78 -1.764010891e-01 -1.764010891e-01 4.80 -1.651118648e-01 -1.651118648e-01 4.82 -1.539986013e-01 -1.539986013e-01 4.84 -1.430985395e-01 -1.430985395e-01 4.86 -1.324539742e-01 -1.324539742e-01 4.88 -1.221102097e-01 -1.221102097e-01 4.90 -1.121133495e-01 -1.121133495e-01 4.92 -1.025080722e-01 -1.025080722e-01 4.94 -9.333555117e-02 -9.333555117e-02 4.96 -8.463165749e-02 -8.463165749e-02 4.98 -7.642555256e-02 -7.642555256e-02 5.00 -6.873873023e-02 -6.873873023e-02 5.02 -6.158452491e-02 -6.158452491e-02 5.04 -5.496806135e-02 -5.496806135e-02 5.06 -4.888659240e-02 -4.888659240e-02 5.08 -4.333015144e-02 -4.333015144e-02 5.10 -3.828243316e-02 -3.828243316e-02 5.12 -3.372183808e-02 -3.372183808e-02 5.14 -2.962258399e-02 -2.962258399e-02 5.16 -2.595575727e-02 -2.595575727e-02 5.18 -2.269009564e-02 -2.269009564e-02 5.20 -1.979399488e-02 -1.979399488e-02 5.22 -1.723603940e-02 -1.723603940e-02 5.24 -1.498461703e-02 -1.498461703e-02 5.26 -1.300908300e-02 -1.300908300e-02 5.28 -1.128040899e-02 -1.128040899e-02 5.30 -9.771459448e-03 -9.771459448e-03 5.32 -8.457158153e-03 -8.457158153e-03 5.34 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