# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--LAMMPS--ipr1 # composition = AlCoFe2 # 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 -5.785671413e+02 -5.785671413e+02 1.04 -5.454170298e+02 -5.454170298e+02 1.06 -5.148761062e+02 -5.148761062e+02 1.08 -4.863047652e+02 -4.863047652e+02 1.10 -4.591963464e+02 -4.591963464e+02 1.12 -4.334884100e+02 -4.334884100e+02 1.14 -4.093732241e+02 -4.093732241e+02 1.16 -3.869196853e+02 -3.869196853e+02 1.18 -3.658962650e+02 -3.658962650e+02 1.20 -3.459425896e+02 -3.459425896e+02 1.22 -3.269079458e+02 -3.269079458e+02 1.24 -3.089783399e+02 -3.089783399e+02 1.26 -2.925075877e+02 -2.925075877e+02 1.28 -2.776795071e+02 -2.776795071e+02 1.30 -2.642867950e+02 -2.642867950e+02 1.32 -2.519517724e+02 -2.519517724e+02 1.34 -2.402837567e+02 -2.402837567e+02 1.36 -2.289587806e+02 -2.289587806e+02 1.38 -2.177493687e+02 -2.177493687e+02 1.40 -2.065682612e+02 -2.065682612e+02 1.42 -1.954272286e+02 -1.954272286e+02 1.44 -1.843671104e+02 -1.843671104e+02 1.46 -1.733357339e+02 -1.733357339e+02 1.48 -1.622721081e+02 -1.622721081e+02 1.50 -1.512668666e+02 -1.512668666e+02 1.52 -1.404651269e+02 -1.404651269e+02 1.54 -1.300029819e+02 -1.300029819e+02 1.56 -1.200121454e+02 -1.200121454e+02 1.58 -1.106499131e+02 -1.106499131e+02 1.60 -1.020060431e+02 -1.020060431e+02 1.62 -9.403201433e+01 -9.403201433e+01 1.64 -8.665030302e+01 -8.665030302e+01 1.66 -7.982699860e+01 -7.982699860e+01 1.68 -7.354527646e+01 -7.354527646e+01 1.70 -6.775607008e+01 -6.775607008e+01 1.72 -6.237649744e+01 -6.237649744e+01 1.74 -5.731882625e+01 -5.731882625e+01 1.76 -5.252351575e+01 -5.252351575e+01 1.78 -4.794344062e+01 -4.794344062e+01 1.80 -4.354097250e+01 -4.354097250e+01 1.82 -3.928344263e+01 -3.928344263e+01 1.84 -3.514766638e+01 -3.514766638e+01 1.86 -3.112916330e+01 -3.112916330e+01 1.88 -2.724443569e+01 -2.724443569e+01 1.90 -2.352497419e+01 -2.352497419e+01 1.92 -2.000829945e+01 -2.000829945e+01 1.94 -1.671799170e+01 -1.671799170e+01 1.96 -1.364113173e+01 -1.364113173e+01 1.98 -1.086287389e+01 -1.086287389e+01 2.00 -8.586060784e+00 -8.586060784e+00 2.02 -6.800753433e+00 -6.800753433e+00 2.04 -5.442099225e+00 -5.442099225e+00 2.06 -4.455412106e+00 -4.455412106e+00 2.08 -3.784369292e+00 -3.784369292e+00 2.10 -3.368624304e+00 -3.368624304e+00 2.12 -3.147509502e+00 -3.147509502e+00 2.14 -3.065464770e+00 -3.065464770e+00 2.16 -3.076151079e+00 -3.076151079e+00 2.18 -3.143820086e+00 -3.143820086e+00 2.20 -3.242229231e+00 -3.242229231e+00 2.22 -3.353392729e+00 -3.353392729e+00 2.24 -3.467091286e+00 -3.467091286e+00 2.26 -3.578012540e+00 -3.578012540e+00 2.28 -3.684986266e+00 -3.684986266e+00 2.30 -3.787265917e+00 -3.787265917e+00 2.32 -3.883726050e+00 -3.883726050e+00 2.34 -3.971593777e+00 -3.971593777e+00 2.36 -4.048046127e+00 -4.048046127e+00 2.38 -4.111587163e+00 -4.111587163e+00 2.40 -4.162034776e+00 -4.162034776e+00 2.42 -4.200169011e+00 -4.200169011e+00 2.44 -4.227218459e+00 -4.227218459e+00 2.46 -4.244133741e+00 -4.244133741e+00 2.48 -4.251967325e+00 -4.251967325e+00 2.50 -4.251939113e+00 -4.251939113e+00 2.52 -4.245054629e+00 -4.245054629e+00 2.54 -4.232028040e+00 -4.232028040e+00 2.56 -4.214271603e+00 -4.214271603e+00 2.58 -4.193104390e+00 -4.193104390e+00 2.60 -4.169118883e+00 -4.169118883e+00 2.62 -4.142711770e+00 -4.142711770e+00 2.64 -4.114175206e+00 -4.114175206e+00 2.66 -4.083723002e+00 -4.083723002e+00 2.68 -4.051231595e+00 -4.051231595e+00 2.70 -4.016116969e+00 -4.016116969e+00 2.72 -3.977319855e+00 -3.977319855e+00 2.74 -3.934327313e+00 -3.934327313e+00 2.76 -3.886878338e+00 -3.886878338e+00 2.78 -3.834646993e+00 -3.834646993e+00 2.80 -3.777235944e+00 -3.777235944e+00 2.82 -3.714413689e+00 -3.714413689e+00 2.84 -3.646310104e+00 -3.646310104e+00 2.86 -3.573629818e+00 -3.573629818e+00 2.88 -3.497655384e+00 -3.497655384e+00 2.90 -3.420051271e+00 -3.420051271e+00 2.92 -3.342383415e+00 -3.342383415e+00 2.94 -3.266168508e+00 -3.266168508e+00 2.96 -3.192771202e+00 -3.192771202e+00 2.98 -3.123267138e+00 -3.123267138e+00 3.00 -3.058467300e+00 -3.058467300e+00 3.02 -2.998979554e+00 -2.998979554e+00 3.04 -2.945287785e+00 -2.945287785e+00 3.06 -2.897945699e+00 -2.897945699e+00 3.08 -2.857522380e+00 -2.857522380e+00 3.10 -2.823953141e+00 -2.823953141e+00 3.12 -2.792038530e+00 -2.792038530e+00 3.14 -2.753686645e+00 -2.753686645e+00 3.16 -2.701342910e+00 -2.701342910e+00 3.18 -2.628145772e+00 -2.628145772e+00 3.20 -2.528103217e+00 -2.528103217e+00 3.22 -2.396257301e+00 -2.396257301e+00 3.24 -2.229235334e+00 -2.229235334e+00 3.26 -2.025963547e+00 -2.025963547e+00 3.28 -1.788304262e+00 -1.788304262e+00 3.30 -1.521338765e+00 -1.521338765e+00 3.32 -1.236085747e+00 -1.236085747e+00 3.34 -9.496230578e-01 -9.496230578e-01 3.36 -6.745387818e-01 -6.745387818e-01 3.38 -4.176598529e-01 -4.176598529e-01 3.40 -1.810938368e-01 -1.810938368e-01 3.42 3.623840675e-02 3.623840675e-02 3.44 2.369725902e-01 2.369725902e-01 3.46 4.240778013e-01 4.240778013e-01 3.48 6.001335416e-01 6.001335416e-01 3.50 7.670350066e-01 7.670350066e-01 3.52 9.259120352e-01 9.259120352e-01 3.54 1.077062808e+00 1.077062808e+00 3.56 1.220439267e+00 1.220439267e+00 3.58 1.356018295e+00 1.356018295e+00 3.60 1.483943855e+00 1.483943855e+00 3.62 1.604385162e+00 1.604385162e+00 3.64 1.717514475e+00 1.717514475e+00 3.66 1.823499642e+00 1.823499642e+00 3.68 1.922494147e+00 1.922494147e+00 3.70 2.014634413e+00 2.014634413e+00 3.72 2.100069822e+00 2.100069822e+00 3.74 2.178964550e+00 2.178964550e+00 3.76 2.251465732e+00 2.251465732e+00 3.78 2.317698421e+00 2.317698421e+00 3.80 2.377761968e+00 2.377761968e+00 3.82 2.431489656e+00 2.431489656e+00 3.84 2.476737930e+00 2.476737930e+00 3.86 2.511790488e+00 2.511790488e+00 3.88 2.536538452e+00 2.536538452e+00 3.90 2.551879216e+00 2.551879216e+00 3.92 2.559232491e+00 2.559232491e+00 3.94 2.560175270e+00 2.560175270e+00 3.96 2.556201348e+00 2.556201348e+00 3.98 2.548571117e+00 2.548571117e+00 4.00 2.538220170e+00 2.538220170e+00 4.02 2.525723082e+00 2.525723082e+00 4.04 2.511300225e+00 2.511300225e+00 4.06 2.494856368e+00 2.494856368e+00 4.08 2.476037926e+00 2.476037926e+00 4.10 2.454302609e+00 2.454302609e+00 4.12 2.428999095e+00 2.428999095e+00 4.14 2.399431684e+00 2.399431684e+00 4.16 2.364923235e+00 2.364923235e+00 4.18 2.324890827e+00 2.324890827e+00 4.20 2.278895327e+00 2.278895327e+00 4.22 2.226679088e+00 2.226679088e+00 4.24 2.168183766e+00 2.168183766e+00 4.26 2.103557016e+00 2.103557016e+00 4.28 2.033098923e+00 2.033098923e+00 4.30 1.957089249e+00 1.957089249e+00 4.32 1.875855124e+00 1.875855124e+00 4.34 1.789773732e+00 1.789773732e+00 4.36 1.699155954e+00 1.699155954e+00 4.38 1.603863262e+00 1.603863262e+00 4.40 1.503565997e+00 1.503565997e+00 4.42 1.397909826e+00 1.397909826e+00 4.44 1.286534270e+00 1.286534270e+00 4.46 1.169099030e+00 1.169099030e+00 4.48 1.045320772e+00 1.045320772e+00 4.50 9.150184934e-01 9.150184934e-01 4.52 7.781883638e-01 7.781883638e-01 4.54 6.352339112e-01 6.352339112e-01 4.56 4.870419463e-01 4.870419463e-01 4.58 3.349294658e-01 3.349294658e-01 4.60 1.806690617e-01 1.806690617e-01 4.62 2.648555497e-02 2.648555497e-02 4.64 -1.249495040e-01 -1.249495040e-01 4.66 -2.594999012e-01 -2.594999012e-01 4.68 -3.514328106e-01 -3.514328106e-01 4.70 -3.882608289e-01 -3.882608289e-01 4.72 -3.713157756e-01 -3.713157756e-01 4.74 -3.119390461e-01 -3.119390461e-01 4.76 -2.264800212e-01 -2.264800212e-01 4.78 -1.315602792e-01 -1.315602792e-01 4.80 -4.069312192e-02 -4.069312192e-02 4.82 3.729374091e-02 3.729374091e-02 4.84 9.821485669e-02 9.821485669e-02 4.86 1.414897707e-01 1.414897707e-01 4.88 1.687852885e-01 1.687852885e-01 4.90 1.827703549e-01 1.827703549e-01 4.92 1.862283209e-01 1.862283209e-01 4.94 1.815428165e-01 1.815428165e-01 4.96 1.704898097e-01 1.704898097e-01 4.98 1.542347290e-01 1.542347290e-01 5.00 1.334577325e-01 1.334577325e-01 5.02 1.083833536e-01 1.083833536e-01 5.04 7.861532321e-02 7.861532321e-02 5.06 4.411430831e-02 4.411430831e-02 5.08 5.294834024e-03 5.294834024e-03 5.10 -3.714116359e-02 -3.714116359e-02 5.12 -8.218951941e-02 -8.218951941e-02 5.14 -1.285451488e-01 -1.285451488e-01 5.16 -1.746250260e-01 -1.746250260e-01 5.18 -2.186181315e-01 -2.186181315e-01 5.20 -2.585690632e-01 -2.585690632e-01 5.22 -2.924674084e-01 -2.924674084e-01 5.24 -3.183449493e-01 -3.183449493e-01 5.26 -3.346794787e-01 -3.346794787e-01 5.28 -3.406076873e-01 -3.406076873e-01 5.30 -3.360140351e-01 -3.360140351e-01 5.32 -3.215489909e-01 -3.215489909e-01 5.34 -2.985637175e-01 -2.985637175e-01 5.36 -2.689613460e-01 -2.689613460e-01 5.38 -2.349815547e-01 -2.349815547e-01 5.40 -1.989519022e-01 -1.989519022e-01 5.42 -1.630470442e-01 -1.630470442e-01 5.44 -1.290945151e-01 -1.290945151e-01 5.46 -9.845674839e-02 -9.845674839e-02 5.48 -7.199137646e-02 -7.199137646e-02 5.50 -5.008467729e-02 -5.008467729e-02 5.52 -3.272796813e-02 -3.272796813e-02 5.54 -1.961189491e-02 -1.961189491e-02 5.56 -1.022089426e-02 -1.022089426e-02 5.58 -3.937628325e-03 -3.937628325e-03 5.60 -1.115984651e-04 -1.115984651e-04 5.62 1.883434476e-03 1.883434476e-03 5.64 2.610378344e-03 2.610378344e-03 5.66 2.543748263e-03 2.543748263e-03 5.68 2.059269667e-03 2.059269667e-03 5.70 1.433905912e-03 1.433905912e-03 5.72 8.502877194e-04 8.502877194e-04 5.74 4.082983462e-04 4.082983462e-04 5.76 1.398543603e-04 1.398543603e-04 5.78 2.315058607e-05 2.315058607e-05 5.80 1.727096211e-07 1.727096211e-07 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