# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr2 # composition = CuFeNi2 # 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 nan nan 0.98 nan nan 1.00 nan nan 1.02 -4.664015313e+02 -4.664015313e+02 1.04 -4.397211410e+02 -4.397211410e+02 1.06 -4.147780181e+02 -4.147780181e+02 1.08 -3.916342550e+02 -3.916342550e+02 1.10 -3.699571874e+02 -3.699571874e+02 1.12 -3.493021660e+02 -3.493021660e+02 1.14 -3.294468576e+02 -3.294468576e+02 1.16 -3.102600385e+02 -3.102600385e+02 1.18 -2.919065376e+02 -2.919065376e+02 1.20 -2.747584339e+02 -2.747584339e+02 1.22 -2.589572580e+02 -2.589572580e+02 1.24 -2.444141524e+02 -2.444141524e+02 1.26 -2.310409632e+02 -2.310409632e+02 1.28 -2.187802045e+02 -2.187802045e+02 1.30 -2.074119583e+02 -2.074119583e+02 1.32 -1.966584561e+02 -1.966584561e+02 1.34 -1.863356935e+02 -1.863356935e+02 1.36 -1.764288990e+02 -1.764288990e+02 1.38 -1.669803554e+02 -1.669803554e+02 1.40 -1.579338944e+02 -1.579338944e+02 1.42 -1.491055157e+02 -1.491055157e+02 1.44 -1.403364573e+02 -1.403364573e+02 1.46 -1.315677134e+02 -1.315677134e+02 1.48 -1.228292336e+02 -1.228292336e+02 1.50 -1.141920716e+02 -1.141920716e+02 1.52 -1.057166318e+02 -1.057166318e+02 1.54 -9.741512938e+01 -9.741512938e+01 1.56 -8.924670776e+01 -8.924670776e+01 1.58 -8.115356745e+01 -8.115356745e+01 1.60 -7.312125417e+01 -7.312125417e+01 1.62 -6.522097631e+01 -6.522097631e+01 1.64 -5.759231672e+01 -5.759231672e+01 1.66 -5.037529415e+01 -5.037529415e+01 1.68 -4.363759610e+01 -4.363759610e+01 1.70 -3.737179762e+01 -3.737179762e+01 1.72 -3.156466530e+01 -3.156466530e+01 1.74 -2.621182138e+01 -2.621182138e+01 1.76 -2.130971425e+01 -2.130971425e+01 1.78 -1.682967588e+01 -1.682967588e+01 1.80 -1.283087511e+01 -1.283087511e+01 1.82 -9.473735287e+00 -9.473735287e+00 1.84 -6.757754044e+00 -6.757754044e+00 1.86 -4.732950203e+00 -4.732950203e+00 1.88 -3.338752173e+00 -3.338752173e+00 1.90 -2.420465785e+00 -2.420465785e+00 1.92 -1.846158902e+00 -1.846158902e+00 1.94 -1.518819186e+00 -1.518819186e+00 1.96 -1.375650617e+00 -1.375650617e+00 1.98 -1.372877984e+00 -1.372877984e+00 2.00 -1.475808210e+00 -1.475808210e+00 2.02 -1.654045345e+00 -1.654045345e+00 2.04 -1.881796179e+00 -1.881796179e+00 2.06 -2.136796253e+00 -2.136796253e+00 2.08 -2.399217018e+00 -2.399217018e+00 2.10 -2.653176329e+00 -2.653176329e+00 2.12 -2.888132186e+00 -2.888132186e+00 2.14 -3.098278066e+00 -3.098278066e+00 2.16 -3.282194848e+00 -3.282194848e+00 2.18 -3.439932151e+00 -3.439932151e+00 2.20 -3.570330012e+00 -3.570330012e+00 2.22 -3.673077352e+00 -3.673077352e+00 2.24 -3.752175664e+00 -3.752175664e+00 2.26 -3.815037483e+00 -3.815037483e+00 2.28 -3.868225112e+00 -3.868225112e+00 2.30 -3.916097552e+00 -3.916097552e+00 2.32 -3.960508554e+00 -3.960508554e+00 2.34 -4.000129510e+00 -4.000129510e+00 2.36 -4.033623456e+00 -4.033623456e+00 2.38 -4.060033928e+00 -4.060033928e+00 2.40 -4.078670908e+00 -4.078670908e+00 2.42 -4.089081416e+00 -4.089081416e+00 2.44 -4.091359045e+00 -4.091359045e+00 2.46 -4.085760757e+00 -4.085760757e+00 2.48 -4.073226464e+00 -4.073226464e+00 2.50 -4.055478807e+00 -4.055478807e+00 2.52 -4.033498392e+00 -4.033498392e+00 2.54 -4.007578355e+00 -4.007578355e+00 2.56 -3.977871109e+00 -3.977871109e+00 2.58 -3.944696298e+00 -3.944696298e+00 2.60 -3.908563564e+00 -3.908563564e+00 2.62 -3.869960722e+00 -3.869960722e+00 2.64 -3.829297704e+00 -3.829297704e+00 2.66 -3.786895996e+00 -3.786895996e+00 2.68 -3.742825500e+00 -3.742825500e+00 2.70 -3.697053421e+00 -3.697053421e+00 2.72 -3.649605650e+00 -3.649605650e+00 2.74 -3.600607279e+00 -3.600607279e+00 2.76 -3.550282288e+00 -3.550282288e+00 2.78 -3.498949019e+00 -3.498949019e+00 2.80 -3.446907641e+00 -3.446907641e+00 2.82 -3.394341971e+00 -3.394341971e+00 2.84 -3.341318351e+00 -3.341318351e+00 2.86 -3.287910864e+00 -3.287910864e+00 2.88 -3.234002559e+00 -3.234002559e+00 2.90 -3.179381161e+00 -3.179381161e+00 2.92 -3.124114306e+00 -3.124114306e+00 2.94 -3.068213886e+00 -3.068213886e+00 2.96 -3.011433653e+00 -3.011433653e+00 2.98 -2.953369178e+00 -2.953369178e+00 3.00 -2.892227080e+00 -2.892227080e+00 3.02 -2.825909020e+00 -2.825909020e+00 3.04 -2.752760870e+00 -2.752760870e+00 3.06 -2.671378337e+00 -2.671378337e+00 3.08 -2.580436506e+00 -2.580436506e+00 3.10 -2.478580068e+00 -2.478580068e+00 3.12 -2.364554105e+00 -2.364554105e+00 3.14 -2.237259885e+00 -2.237259885e+00 3.16 -2.096112352e+00 -2.096112352e+00 3.18 -1.940728092e+00 -1.940728092e+00 3.20 -1.770467724e+00 -1.770467724e+00 3.22 -1.584836950e+00 -1.584836950e+00 3.24 -1.387166364e+00 -1.387166364e+00 3.26 -1.183883459e+00 -1.183883459e+00 3.28 -9.813303150e-01 -9.813303150e-01 3.30 -7.852022875e-01 -7.852022875e-01 3.32 -5.999756490e-01 -5.999756490e-01 3.34 -4.284698420e-01 -4.284698420e-01 3.36 -2.719690550e-01 -2.719690550e-01 3.38 -1.304401918e-01 -1.304401918e-01 3.40 -2.817260791e-03 -2.817260791e-03 3.42 1.123799078e-01 1.123799078e-01 3.44 2.165654089e-01 2.165654089e-01 3.46 3.108177600e-01 3.108177600e-01 3.48 3.958102331e-01 3.958102331e-01 3.50 4.718774320e-01 4.718774320e-01 3.52 5.391426609e-01 5.391426609e-01 3.54 5.976521468e-01 5.976521468e-01 3.56 6.474818286e-01 6.474818286e-01 3.58 6.887767204e-01 6.887767204e-01 3.60 7.217111422e-01 7.217111422e-01 3.62 7.464779921e-01 7.464779921e-01 3.64 7.632802635e-01 7.632802635e-01 3.66 7.723065686e-01 7.723065686e-01 3.68 7.737469301e-01 7.737469301e-01 3.70 7.677984077e-01 7.677984077e-01 3.72 7.546626600e-01 7.546626600e-01 3.74 7.345439418e-01 7.345439418e-01 3.76 7.076474648e-01 7.076474648e-01 3.78 6.741776128e-01 6.741776128e-01 3.80 6.343368975e-01 6.343368975e-01 3.82 5.883245489e-01 5.883245489e-01 3.84 5.363360240e-01 5.363360240e-01 3.86 4.785747798e-01 4.785747798e-01 3.88 4.153694728e-01 4.153694728e-01 3.90 3.471683929e-01 3.471683929e-01 3.92 2.744945125e-01 2.744945125e-01 3.94 1.978921390e-01 1.978921390e-01 3.96 1.178653262e-01 1.178653262e-01 3.98 3.494579801e-02 3.494579801e-02 4.00 -5.030057220e-02 -5.030057220e-02 4.02 -1.372740393e-01 -1.372740393e-01 4.04 -2.243175316e-01 -2.243175316e-01 4.06 -2.875429819e-01 -2.875429819e-01 4.08 -2.893424944e-01 -2.893424944e-01 4.10 -2.027640217e-01 -2.027640217e-01 4.12 -1.169512604e-02 -1.169512604e-02 4.14 2.899322557e-01 2.899322557e-01 4.16 6.990543801e-01 6.990543801e-01 4.18 1.204495380e+00 1.204495380e+00 4.20 1.788094610e+00 1.788094610e+00 4.22 2.425961140e+00 2.425961140e+00 4.24 3.089832847e+00 3.089832847e+00 4.26 3.748569980e+00 3.748569980e+00 4.28 4.369742145e+00 4.369742145e+00 4.30 4.921258775e+00 4.921258775e+00 4.32 5.373135587e+00 5.373135587e+00 4.34 5.699224574e+00 5.699224574e+00 4.36 5.878952431e+00 5.878952431e+00 4.38 5.898925495e+00 5.898925495e+00 4.40 5.754325093e+00 5.754325093e+00 4.42 5.449973394e+00 5.449973394e+00 4.44 5.000825405e+00 5.000825405e+00 4.46 4.431759164e+00 4.431759164e+00 4.48 3.776481835e+00 3.776481835e+00 4.50 3.075337551e+00 3.075337551e+00 4.52 2.372362496e+00 2.372362496e+00 4.54 1.712634449e+00 1.712634449e+00 4.56 1.134860729e+00 1.134860729e+00 4.58 6.655868046e-01 6.655868046e-01 4.60 3.166567239e-01 3.166567239e-01 4.62 8.503188009e-02 8.503188009e-02 4.64 -4.483081674e-02 -4.483081674e-02 4.66 -9.650404846e-02 -9.650404846e-02 4.68 -9.612798389e-02 -9.612798389e-02 4.70 -6.743450144e-02 -6.743450144e-02 4.72 -2.846207931e-02 -2.846207931e-02 4.74 9.432330860e-03 9.432330860e-03 4.76 4.068340107e-02 4.068340107e-02 4.78 6.370382178e-02 6.370382178e-02 4.80 7.909294826e-02 7.909294826e-02 4.82 8.823019867e-02 8.823019867e-02 4.84 9.253207911e-02 9.253207911e-02 4.86 9.335523883e-02 9.335523883e-02 4.88 9.190819820e-02 9.190819820e-02 4.90 8.919139980e-02 8.919139980e-02 4.92 8.596462498e-02 8.596462498e-02 4.94 8.274275029e-02 8.274275029e-02 4.96 7.981183844e-02 7.981183844e-02 4.98 7.725794507e-02 7.725794507e-02 5.00 7.501718555e-02 7.501718555e-02 5.02 7.291651254e-02 7.291651254e-02 5.04 7.073451765e-02 7.073451765e-02 5.06 6.835941215e-02 6.835941215e-02 5.08 6.576161137e-02 6.576161137e-02 5.10 6.292406660e-02 6.292406660e-02 5.12 5.984137415e-02 5.984137415e-02 5.14 5.652112908e-02 5.652112908e-02 5.16 5.298411946e-02 5.298411946e-02 5.18 4.926333141e-02 4.926333141e-02 5.20 4.540235696e-02 4.540235696e-02 5.22 4.145501951e-02 4.145501951e-02 5.24 3.749213192e-02 3.749213192e-02 5.26 3.358658807e-02 3.358658807e-02 5.28 2.980348045e-02 2.980348045e-02 5.30 2.619688926e-02 2.619688926e-02 5.32 2.280838722e-02 2.280838722e-02 5.34 1.966546254e-02 1.966546254e-02 5.36 1.678338361e-02 1.678338361e-02 5.38 1.416733539e-02 1.416733539e-02 5.40 1.181569092e-02 1.181569092e-02 5.42 9.722522568e-03 9.722522568e-03 5.44 7.880043133e-03 7.880043133e-03 5.46 6.279487118e-03 6.279487118e-03 5.48 4.910604416e-03 4.910604416e-03 5.50 3.761284280e-03 3.761284280e-03 5.52 2.817224480e-03 2.817224480e-03 5.54 2.060055525e-03 2.060055525e-03 5.56 1.467764092e-03 1.467764092e-03 5.58 1.016189268e-03 1.016189268e-03 5.60 6.815150256e-04 6.815150256e-04 5.62 4.410067925e-04 4.410067925e-04 5.64 2.738480159e-04 2.738480159e-04 5.66 1.619813232e-04 1.619813232e-04 5.68 9.019091980e-05 9.019091980e-05 5.70 4.661742789e-05 4.661742789e-05 5.72 2.160335194e-05 2.160335194e-05 5.74 8.496342656e-06 8.496342656e-06 5.76 2.580361429e-06 2.580361429e-06 5.78 4.196784288e-07 4.196784288e-07 5.80 -4.369030571e-09 -4.369030571e-09 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