# 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 = AuNiPb2 # 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 3.508693469e+02 3.508693469e+02 1.30 3.271924900e+02 3.271924900e+02 1.32 3.051808288e+02 3.051808288e+02 1.34 2.847059043e+02 2.847059043e+02 1.36 2.656490741e+02 2.656490741e+02 1.38 2.479005703e+02 2.479005703e+02 1.40 2.313595855e+02 2.313595855e+02 1.42 2.159342158e+02 2.159342158e+02 1.44 2.015409280e+02 2.015409280e+02 1.46 1.881038690e+02 1.881038690e+02 1.48 1.755541709e+02 1.755541709e+02 1.50 1.638290822e+02 1.638290822e+02 1.52 1.528708225e+02 1.528708225e+02 1.54 1.426255077e+02 1.426255077e+02 1.56 1.330424908e+02 1.330424908e+02 1.58 1.240742265e+02 1.240742265e+02 1.60 1.156764370e+02 1.156764370e+02 1.62 1.078083594e+02 1.078083594e+02 1.64 1.004328248e+02 1.004328248e+02 1.66 9.351609833e+01 9.351609833e+01 1.68 8.702750996e+01 8.702750996e+01 1.70 8.094028711e+01 8.094028711e+01 1.72 7.523906464e+01 7.523906464e+01 1.74 6.990833244e+01 6.990833244e+01 1.76 6.493287392e+01 6.493287392e+01 1.78 6.028963866e+01 6.028963866e+01 1.80 5.595689342e+01 5.595689342e+01 1.82 5.191398645e+01 5.191398645e+01 1.84 4.814127656e+01 4.814127656e+01 1.86 4.462018873e+01 4.462018873e+01 1.88 4.133331397e+01 4.133331397e+01 1.90 3.826443981e+01 3.826443981e+01 1.92 3.539850878e+01 3.539850878e+01 1.94 3.272156927e+01 3.272156927e+01 1.96 3.022073567e+01 3.022073567e+01 1.98 2.788415384e+01 2.788415384e+01 2.00 2.570093624e+01 2.570093624e+01 2.02 2.366106053e+01 2.366106053e+01 2.04 2.175524984e+01 2.175524984e+01 2.06 1.997487146e+01 1.997487146e+01 2.08 1.831187518e+01 1.831187518e+01 2.10 1.675875694e+01 1.675875694e+01 2.12 1.530854090e+01 1.530854090e+01 2.14 1.395475171e+01 1.395475171e+01 2.16 1.269137516e+01 1.269137516e+01 2.18 1.151281062e+01 1.151281062e+01 2.20 1.041381827e+01 1.041381827e+01 2.22 9.389478762e+00 9.389478762e+00 2.24 8.435163213e+00 8.435163213e+00 2.26 7.546514563e+00 7.546514563e+00 2.28 6.719437452e+00 6.719437452e+00 2.30 5.950083841e+00 5.950083841e+00 2.32 5.234836722e+00 5.234836722e+00 2.34 4.570291401e+00 4.570291401e+00 2.36 3.953226998e+00 3.953226998e+00 2.38 3.380584007e+00 3.380584007e+00 2.40 2.849449652e+00 2.849449652e+00 2.42 2.357055338e+00 2.357055338e+00 2.44 1.900782846e+00 1.900782846e+00 2.46 1.478175937e+00 1.478175937e+00 2.48 1.086949997e+00 1.086949997e+00 2.50 7.249964091e-01 7.249964091e-01 2.52 3.903797909e-01 3.903797909e-01 2.54 8.132824483e-02 8.132824483e-02 2.56 -2.037821126e-01 -2.037821126e-01 2.58 -4.664465568e-01 -4.664465568e-01 2.60 -7.080523302e-01 -7.080523302e-01 2.62 -9.298961828e-01 -9.298961828e-01 2.64 -1.133206736e+00 -1.133206736e+00 2.66 -1.319152443e+00 -1.319152443e+00 2.68 -1.488853262e+00 -1.488853262e+00 2.70 -1.643384268e+00 -1.643384268e+00 2.72 -1.783785578e+00 -1.783785578e+00 2.74 -1.911105537e+00 -1.911105537e+00 2.76 -2.026193515e+00 -2.026193515e+00 2.78 -2.129748628e+00 -2.129748628e+00 2.80 -2.222439813e+00 -2.222439813e+00 2.82 -2.304909167e+00 -2.304909167e+00 2.84 -2.377766831e+00 -2.377766831e+00 2.86 -2.441587935e+00 -2.441587935e+00 2.88 -2.496913068e+00 -2.496913068e+00 2.90 -2.544250442e+00 -2.544250442e+00 2.92 -2.584075376e+00 -2.584075376e+00 2.94 -2.616837495e+00 -2.616837495e+00 2.96 -2.642967998e+00 -2.642967998e+00 2.98 -2.662883604e+00 -2.662883604e+00 3.00 -2.676990044e+00 -2.676990044e+00 3.02 -2.685684859e+00 -2.685684859e+00 3.04 -2.689358556e+00 -2.689358556e+00 3.06 -2.688397682e+00 -2.688397682e+00 3.08 -2.683179979e+00 -2.683179979e+00 3.10 -2.674075610e+00 -2.674075610e+00 3.12 -2.661443189e+00 -2.661443189e+00 3.14 -2.645632448e+00 -2.645632448e+00 3.16 -2.626974831e+00 -2.626974831e+00 3.18 -2.605792789e+00 -2.605792789e+00 3.20 -2.582449715e+00 -2.582449715e+00 3.22 -2.557181833e+00 -2.557181833e+00 3.24 -2.530181436e+00 -2.530181436e+00 3.26 -2.501629726e+00 -2.501629726e+00 3.28 -2.471693109e+00 -2.471693109e+00 3.30 -2.440521392e+00 -2.440521392e+00 3.32 -2.408247799e+00 -2.408247799e+00 3.34 -2.374990317e+00 -2.374990317e+00 3.36 -2.340850009e+00 -2.340850009e+00 3.38 -2.305901434e+00 -2.305901434e+00 3.40 -2.270209614e+00 -2.270209614e+00 3.42 -2.233837945e+00 -2.233837945e+00 3.44 -2.196846665e+00 -2.196846665e+00 3.46 -2.159294260e+00 -2.159294260e+00 3.48 -2.121237090e+00 -2.121237090e+00 3.50 -2.082729325e+00 -2.082729325e+00 3.52 -2.043823005e+00 -2.043823005e+00 3.54 -2.004568269e+00 -2.004568269e+00 3.56 -1.965013799e+00 -1.965013799e+00 3.58 -1.925207453e+00 -1.925207453e+00 3.60 -1.885197053e+00 -1.885197053e+00 3.62 -1.845031238e+00 -1.845031238e+00 3.64 -1.804760315e+00 -1.804760315e+00 3.66 -1.764436983e+00 -1.764436983e+00 3.68 -1.724116850e+00 -1.724116850e+00 3.70 -1.683858629e+00 -1.683858629e+00 3.72 -1.643723965e+00 -1.643723965e+00 3.74 -1.603776868e+00 -1.603776868e+00 3.76 -1.564082807e+00 -1.564082807e+00 3.78 -1.524707565e+00 -1.524707565e+00 3.80 -1.485715976e+00 -1.485715976e+00 3.82 -1.447170677e+00 -1.447170677e+00 3.84 -1.409130926e+00 -1.409130926e+00 3.86 -1.371651511e+00 -1.371651511e+00 3.88 -1.334781727e+00 -1.334781727e+00 3.90 -1.298564401e+00 -1.298564401e+00 3.92 -1.263034262e+00 -1.263034262e+00 3.94 -1.228220262e+00 -1.228220262e+00 3.96 -1.194140291e+00 -1.194140291e+00 3.98 -1.160804463e+00 -1.160804463e+00 4.00 -1.128214542e+00 -1.128214542e+00 4.02 -1.096364683e+00 -1.096364683e+00 4.04 -1.065242480e+00 -1.065242480e+00 4.06 -1.034830215e+00 -1.034830215e+00 4.08 -1.005106180e+00 -1.005106180e+00 4.10 -9.760439277e-01 -9.760439277e-01 4.12 -9.476219280e-01 -9.476219280e-01 4.14 -9.198112550e-01 -9.198112550e-01 4.16 -8.925858468e-01 -8.925858468e-01 4.18 -8.659207831e-01 -8.659207831e-01 4.20 -8.397929305e-01 -8.397929305e-01 4.22 -8.141814902e-01 -8.141814902e-01 4.24 -7.890684569e-01 -7.890684569e-01 4.26 -7.644389928e-01 -7.644389928e-01 4.28 -7.402817156e-01 -7.402817156e-01 4.30 -7.165889018e-01 -7.165889018e-01 4.32 -6.933566040e-01 -6.933566040e-01 4.34 -6.705846873e-01 -6.705846873e-01 4.36 -6.482767792e-01 -6.482767792e-01 4.38 -6.264401233e-01 -6.264401233e-01 4.40 -6.050853095e-01 -6.050853095e-01 4.42 -5.842258433e-01 -5.842258433e-01 4.44 -5.638775107e-01 -5.638775107e-01 4.46 -5.440575112e-01 -5.440575112e-01 4.48 -5.247833607e-01 -5.247833607e-01 4.50 -5.060716132e-01 -5.060716132e-01 4.52 -4.879364980e-01 -4.879364980e-01 4.54 -4.703886084e-01 -4.703886084e-01 4.56 -4.534337867e-01 -4.534337867e-01 4.58 -4.370723381e-01 -4.370723381e-01 4.60 -4.212986569e-01 -4.212986569e-01 4.62 -4.061012931e-01 -4.061012931e-01 4.64 -3.914634250e-01 -3.914634250e-01 4.66 -3.773636579e-01 -3.773636579e-01 4.68 -3.637770428e-01 -3.637770428e-01 4.70 -3.506762032e-01 -3.506762032e-01 4.72 -3.380324708e-01 -3.380324708e-01 4.74 -3.258169550e-01 -3.258169550e-01 4.76 -3.140014938e-01 -3.140014938e-01 4.78 -3.025594608e-01 -3.025594608e-01 4.80 -2.914649009e-01 -2.914649009e-01 4.82 -2.806993228e-01 -2.806993228e-01 4.84 -2.702422011e-01 -2.702422011e-01 4.86 -2.600780347e-01 -2.600780347e-01 4.88 -2.501946054e-01 -2.501946054e-01 4.90 -2.405828977e-01 -2.405828977e-01 4.92 -2.312368851e-01 -2.312368851e-01 4.94 -2.221531889e-01 -2.221531889e-01 4.96 -2.133306274e-01 -2.133306274e-01 4.98 -2.047696781e-01 -2.047696781e-01 5.00 -1.964718882e-01 -1.964718882e-01 5.02 -1.884392745e-01 -1.884392745e-01 5.04 -1.806737599e-01 -1.806737599e-01 5.06 -1.731766878e-01 -1.731766878e-01 5.08 -1.659484540e-01 -1.659484540e-01 5.10 -1.589882691e-01 -1.589882691e-01 5.12 -1.522940665e-01 -1.522940665e-01 5.14 -1.458625445e-01 -1.458625445e-01 5.16 -1.396893115e-01 -1.396893115e-01 5.18 -1.337691026e-01 -1.337691026e-01 5.20 -1.280960278e-01 -1.280960278e-01 5.22 -1.226638086e-01 -1.226638086e-01 5.24 -1.174659822e-01 -1.174659822e-01 5.26 -1.124960470e-01 -1.124960470e-01 5.28 -1.077475392e-01 -1.077475392e-01 5.30 -1.032140438e-01 -1.032140438e-01 5.32 -9.888898889e-02 -9.888898889e-02 5.34 -9.476510628e-02 -9.476510628e-02 5.36 -9.083610131e-02 -9.083610131e-02 5.38 -8.709543978e-02 -8.709543978e-02 5.40 -8.353609116e-02 -8.353609116e-02 5.42 -8.015051847e-02 -8.015051847e-02 5.44 -7.693070033e-02 -7.693070033e-02 5.46 -7.386818553e-02 -7.386818553e-02 5.48 -7.095417553e-02 -7.095417553e-02 5.50 -6.817962738e-02 -6.817962738e-02 5.52 -6.553536781e-02 -6.553536781e-02 5.54 -6.301220981e-02 -6.301220981e-02 5.56 -6.060106391e-02 -6.060106391e-02 5.58 -5.829303852e-02 -5.829303852e-02 5.60 -5.607952572e-02 -5.607952572e-02 5.62 -5.395227102e-02 -5.395227102e-02 5.64 -5.190342722e-02 -5.190342722e-02 5.66 -4.992559394e-02 -4.992559394e-02 5.68 -4.801184499e-02 -4.801184499e-02 5.70 -4.615574653e-02 -4.615574653e-02 5.72 -4.435136860e-02 -4.435136860e-02 5.74 -4.259329296e-02 -4.259329296e-02 5.76 -4.087661933e-02 -4.087661933e-02 5.78 -3.919697194e-02 -3.919697194e-02 5.80 -3.755050765e-02 -3.755050765e-02 5.82 -3.593392618e-02 -3.593392618e-02 5.84 -3.434448243e-02 -3.434448243e-02 5.86 -3.278000015e-02 -3.278000015e-02 5.88 -3.123888556e-02 -3.123888556e-02 5.90 -2.972013901e-02 -2.972013901e-02 5.92 -2.822336203e-02 -2.822336203e-02 5.94 -2.674875715e-02 -2.674875715e-02 5.96 -2.529711739e-02 -2.529711739e-02 5.98 -2.386980195e-02 -2.386980195e-02 6.00 -2.246869685e-02 -2.246869685e-02