# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Cu2PdPt # 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 2022-05-24 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 6.369417589e+02 6.369417589e+02 0.98 5.791149936e+02 5.791149936e+02 1.00 5.268467583e+02 5.268467583e+02 1.02 4.795725810e+02 4.795725810e+02 1.04 4.367948225e+02 4.367948225e+02 1.06 3.980648496e+02 3.980648496e+02 1.08 3.629858883e+02 3.629858883e+02 1.10 3.312024599e+02 3.312024599e+02 1.12 3.023919304e+02 3.023919304e+02 1.14 2.762622626e+02 2.762622626e+02 1.16 2.525470434e+02 2.525470434e+02 1.18 2.310148679e+02 2.310148679e+02 1.20 2.114522920e+02 2.114522920e+02 1.22 1.936674375e+02 1.936674375e+02 1.24 1.774915835e+02 1.774915835e+02 1.26 1.627678418e+02 1.627678418e+02 1.28 1.493567205e+02 1.493567205e+02 1.30 1.371282525e+02 1.371282525e+02 1.32 1.259697602e+02 1.259697602e+02 1.34 1.157809065e+02 1.157809065e+02 1.36 1.064680121e+02 1.064680121e+02 1.38 9.794606982e+01 9.794606982e+01 1.40 9.014239107e+01 9.014239107e+01 1.42 8.298787577e+01 8.298787577e+01 1.44 7.642099679e+01 7.642099679e+01 1.46 7.038797179e+01 7.038797179e+01 1.48 6.484061995e+01 6.484061995e+01 1.50 5.973403914e+01 5.973403914e+01 1.52 5.502789867e+01 5.502789867e+01 1.54 5.068550178e+01 5.068550178e+01 1.56 4.667450341e+01 4.667450341e+01 1.58 4.296552704e+01 4.296552704e+01 1.60 3.953366933e+01 3.953366933e+01 1.62 3.635510288e+01 3.635510288e+01 1.64 3.340833076e+01 3.340833076e+01 1.66 3.067413214e+01 3.067413214e+01 1.68 2.813484808e+01 2.813484808e+01 1.70 2.577442147e+01 2.577442147e+01 1.72 2.358055531e+01 2.358055531e+01 1.74 2.154047551e+01 2.154047551e+01 1.76 1.964280866e+01 1.964280866e+01 1.78 1.787919093e+01 1.787919093e+01 1.80 1.624076525e+01 1.624076525e+01 1.82 1.471902441e+01 1.471902441e+01 1.84 1.329038656e+01 1.329038656e+01 1.86 1.195507371e+01 1.195507371e+01 1.88 1.070783084e+01 1.070783084e+01 1.90 9.531620644e+00 9.531620644e+00 1.92 8.422923926e+00 8.422923926e+00 1.94 7.377544184e+00 7.377544184e+00 1.96 6.394683777e+00 6.394683777e+00 1.98 5.471711340e+00 5.471711340e+00 2.00 4.606189433e+00 4.606189433e+00 2.02 3.795895174e+00 3.795895174e+00 2.04 3.038638421e+00 3.038638421e+00 2.06 2.332174105e+00 2.332174105e+00 2.08 1.674281482e+00 1.674281482e+00 2.10 1.063029675e+00 1.063029675e+00 2.12 4.959235271e-01 4.959235271e-01 2.14 -2.873074263e-02 -2.873074263e-02 2.16 -5.130489789e-01 -5.130489789e-01 2.18 -9.587071185e-01 -9.587071185e-01 2.20 -1.367455515e+00 -1.367455515e+00 2.22 -1.741352051e+00 -1.741352051e+00 2.24 -2.081085953e+00 -2.081085953e+00 2.26 -2.389426888e+00 -2.389426888e+00 2.28 -2.668505586e+00 -2.668505586e+00 2.30 -2.920025808e+00 -2.920025808e+00 2.32 -3.145677559e+00 -3.145677559e+00 2.34 -3.346790071e+00 -3.346790071e+00 2.36 -3.524794288e+00 -3.524794288e+00 2.38 -3.681297547e+00 -3.681297547e+00 2.40 -3.817680789e+00 -3.817680789e+00 2.42 -3.935266344e+00 -3.935266344e+00 2.44 -4.035318374e+00 -4.035318374e+00 2.46 -4.118697351e+00 -4.118697351e+00 2.48 -4.186619621e+00 -4.186619621e+00 2.50 -4.240673732e+00 -4.240673732e+00 2.52 -4.281700680e+00 -4.281700680e+00 2.54 -4.310691473e+00 -4.310691473e+00 2.56 -4.328580241e+00 -4.328580241e+00 2.58 -4.336212620e+00 -4.336212620e+00 2.60 -4.336199008e+00 -4.336199008e+00 2.62 -4.328025394e+00 -4.328025394e+00 2.64 -4.311790346e+00 -4.311790346e+00 2.66 -4.288568401e+00 -4.288568401e+00 2.68 -4.259000489e+00 -4.259000489e+00 2.70 -4.223498624e+00 -4.223498624e+00 2.72 -4.182637249e+00 -4.182637249e+00 2.74 -4.136954867e+00 -4.136954867e+00 2.76 -4.086957731e+00 -4.086957731e+00 2.78 -4.033505436e+00 -4.033505436e+00 2.80 -3.976872079e+00 -3.976872079e+00 2.82 -3.916708185e+00 -3.916708185e+00 2.84 -3.852858612e+00 -3.852858612e+00 2.86 -3.786834622e+00 -3.786834622e+00 2.88 -3.718922914e+00 -3.718922914e+00 2.90 -3.648769891e+00 -3.648769891e+00 2.92 -3.577257795e+00 -3.577257795e+00 2.94 -3.504729182e+00 -3.504729182e+00 2.96 -3.431417976e+00 -3.431417976e+00 2.98 -3.357534642e+00 -3.357534642e+00 3.00 -3.283316862e+00 -3.283316862e+00 3.02 -3.208264811e+00 -3.208264811e+00 3.04 -3.133467601e+00 -3.133467601e+00 3.06 -3.059316616e+00 -3.059316616e+00 3.08 -2.985428633e+00 -2.985428633e+00 3.10 -2.911936047e+00 -2.911936047e+00 3.12 -2.838951507e+00 -2.838951507e+00 3.14 -2.766576385e+00 -2.766576385e+00 3.16 -2.694901579e+00 -2.694901579e+00 3.18 -2.624008271e+00 -2.624008271e+00 3.20 -2.553968638e+00 -2.553968638e+00 3.22 -2.484846538e+00 -2.484846538e+00 3.24 -2.416692981e+00 -2.416692981e+00 3.26 -2.350174599e+00 -2.350174599e+00 3.28 -2.284907463e+00 -2.284907463e+00 3.30 -2.220696324e+00 -2.220696324e+00 3.32 -2.157574755e+00 -2.157574755e+00 3.34 -2.095571377e+00 -2.095571377e+00 3.36 -2.034709030e+00 -2.034709030e+00 3.38 -1.975004593e+00 -1.975004593e+00 3.40 -1.916493847e+00 -1.916493847e+00 3.42 -1.859158436e+00 -1.859158436e+00 3.44 -1.802956671e+00 -1.802956671e+00 3.46 -1.747837879e+00 -1.747837879e+00 3.48 -1.693708318e+00 -1.693708318e+00 3.50 -1.640625319e+00 -1.640625319e+00 3.52 -1.588744742e+00 -1.588744742e+00 3.54 -1.538102137e+00 -1.538102137e+00 3.56 -1.488625945e+00 -1.488625945e+00 3.58 -1.440260459e+00 -1.440260459e+00 3.60 -1.393000409e+00 -1.393000409e+00 3.62 -1.346855774e+00 -1.346855774e+00 3.64 -1.301817074e+00 -1.301817074e+00 3.66 -1.257860419e+00 -1.257860419e+00 3.68 -1.214992271e+00 -1.214992271e+00 3.70 -1.173231451e+00 -1.173231451e+00 3.72 -1.132586782e+00 -1.132586782e+00 3.74 -1.093041686e+00 -1.093041686e+00 3.76 -1.054572860e+00 -1.054572860e+00 3.78 -1.017153549e+00 -1.017153549e+00 3.80 -9.807640834e-01 -9.807640834e-01 3.82 -9.453769730e-01 -9.453769730e-01 3.84 -9.109758374e-01 -9.109758374e-01 3.86 -8.775379002e-01 -8.775379002e-01 3.88 -8.450445594e-01 -8.450445594e-01 3.90 -8.134874834e-01 -8.134874834e-01 3.92 -7.828189260e-01 -7.828189260e-01 3.94 -7.529832472e-01 -7.529832472e-01 3.96 -7.239853431e-01 -7.239853431e-01 3.98 -6.957836734e-01 -6.957836734e-01 4.00 -6.684235972e-01 -6.684235972e-01 4.02 -6.419435161e-01 -6.419435161e-01 4.04 -6.163689896e-01 -6.163689896e-01 4.06 -5.917367103e-01 -5.917367103e-01 4.08 -5.680989003e-01 -5.680989003e-01 4.10 -5.453527824e-01 -5.453527824e-01 4.12 -5.234627444e-01 -5.234627444e-01 4.14 -5.022661569e-01 -5.022661569e-01 4.16 -4.816015461e-01 -4.816015461e-01 4.18 -4.613497879e-01 -4.613497879e-01 4.20 -4.414259398e-01 -4.414259398e-01 4.22 -4.217723908e-01 -4.217723908e-01 4.24 -4.023531384e-01 -4.023531384e-01 4.26 -3.831488034e-01 -3.831488034e-01 4.28 -3.641116562e-01 -3.641116562e-01 4.30 -3.460147246e-01 -3.460147246e-01 4.32 -3.284755982e-01 -3.284755982e-01 4.34 -3.112098252e-01 -3.112098252e-01 4.36 -2.942489159e-01 -2.942489159e-01 4.38 -2.776686938e-01 -2.776686938e-01 4.40 -2.615347669e-01 -2.615347669e-01 4.42 -2.458961373e-01 -2.458961373e-01 4.44 -2.307879859e-01 -2.307879859e-01 4.46 -2.162340435e-01 -2.162340435e-01 4.48 -2.022486093e-01 -2.022486093e-01 4.50 -1.888382628e-01 -1.888382628e-01 4.52 -1.760033142e-01 -1.760033142e-01 4.54 -1.637390293e-01 -1.637390293e-01 4.56 -1.520366611e-01 -1.520366611e-01 4.58 -1.408861265e-01 -1.408861265e-01 4.60 -1.306494691e-01 -1.306494691e-01 4.62 -1.212748606e-01 -1.212748606e-01 4.64 -1.123559670e-01 -1.123559670e-01 4.66 -1.038765895e-01 -1.038765895e-01 4.68 -9.582005616e-02 -9.582005616e-02 4.70 -8.816945438e-02 -8.816945438e-02 4.72 -8.090782017e-02 -8.090782017e-02 4.74 -7.401829224e-02 -7.401829224e-02 4.76 -6.748423324e-02 -6.748423324e-02 4.78 -6.128932694e-02 -6.128932694e-02 4.80 -5.541765325e-02 -5.541765325e-02 4.82 -4.985374520e-02 -4.985374520e-02 4.84 -4.458263067e-02 -4.458263067e-02 4.86 -3.958986145e-02 -3.958986145e-02 4.88 -3.486153303e-02 -3.486153303e-02 4.90 -3.038429440e-02 -3.038429440e-02 4.92 -2.614471286e-02 -2.614471286e-02 4.94 -2.207185637e-02 -2.207185637e-02 4.96 -1.925970732e-02 -1.925970732e-02 4.98 -1.757617650e-02 -1.757617650e-02 5.00 -1.594345250e-02 -1.594345250e-02 5.02 -1.440103571e-02 -1.440103571e-02 5.04 -1.294437779e-02 -1.294437779e-02 5.06 -1.156886535e-02 -1.156886535e-02 5.08 -1.027011398e-02 -1.027011398e-02 5.10 -9.043960040e-03 -9.043960040e-03 5.12 -7.886452179e-03 -7.886452179e-03 5.14 -6.793842712e-03 -6.793842712e-03 5.16 -5.762578922e-03 -5.762578922e-03 5.18 -4.789294427e-03 -4.789294427e-03 5.20 -3.870800637e-03 -3.870800637e-03 5.22 -3.004078366e-03 -3.004078366e-03 5.24 -2.186269679e-03 -2.186269679e-03 5.26 -1.414669966e-03 -1.414669966e-03 5.28 -6.871645808e-04 -6.871645808e-04 5.30 -1.072540177e-15 -1.072732900e-15 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00