# 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 = AlCo2Fe # 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 -4.958746666e+02 -4.958746666e+02 1.04 -4.688193543e+02 -4.688193543e+02 1.06 -4.433493785e+02 -4.433493785e+02 1.08 -4.193501546e+02 -4.193501546e+02 1.10 -3.964821365e+02 -3.964821365e+02 1.12 -3.744418377e+02 -3.744418377e+02 1.14 -3.530417701e+02 -3.530417701e+02 1.16 -3.321404439e+02 -3.321404439e+02 1.18 -3.119836907e+02 -3.119836907e+02 1.20 -2.930441593e+02 -2.930441593e+02 1.22 -2.756372663e+02 -2.756372663e+02 1.24 -2.599060934e+02 -2.599060934e+02 1.26 -2.459007105e+02 -2.459007105e+02 1.28 -2.334765034e+02 -2.334765034e+02 1.30 -2.222710161e+02 -2.222710161e+02 1.32 -2.119095706e+02 -2.119095706e+02 1.34 -2.021241548e+02 -2.021241548e+02 1.36 -1.927914567e+02 -1.927914567e+02 1.38 -1.838195698e+02 -1.838195698e+02 1.40 -1.750542911e+02 -1.750542911e+02 1.42 -1.663057233e+02 -1.663057233e+02 1.44 -1.574753603e+02 -1.574753603e+02 1.46 -1.485287178e+02 -1.485287178e+02 1.48 -1.395076576e+02 -1.395076576e+02 1.50 -1.305491063e+02 -1.305491063e+02 1.52 -1.217831251e+02 -1.217831251e+02 1.54 -1.132667784e+02 -1.132667784e+02 1.56 -1.049898638e+02 -1.049898638e+02 1.58 -9.694390376e+01 -9.694390376e+01 1.60 -8.916428216e+01 -8.916428216e+01 1.62 -8.170831851e+01 -8.170831851e+01 1.64 -7.465102713e+01 -7.465102713e+01 1.66 -6.804617860e+01 -6.804617860e+01 1.68 -6.188852252e+01 -6.188852252e+01 1.70 -5.613091933e+01 -5.613091933e+01 1.72 -5.072986274e+01 -5.072986274e+01 1.74 -4.564792831e+01 -4.564792831e+01 1.76 -4.086557346e+01 -4.086557346e+01 1.78 -3.636049505e+01 -3.636049505e+01 1.80 -3.211230938e+01 -3.211230938e+01 1.82 -2.810573172e+01 -2.810573172e+01 1.84 -2.433204675e+01 -2.433204675e+01 1.86 -2.078985984e+01 -2.078985984e+01 1.88 -1.747650267e+01 -1.747650267e+01 1.90 -1.442211658e+01 -1.442211658e+01 1.92 -1.173783782e+01 -1.173783782e+01 1.94 -9.367376809e+00 -9.367376809e+00 1.96 -7.330640172e+00 -7.330640172e+00 1.98 -5.820536164e+00 -5.820536164e+00 2.00 -4.751030357e+00 -4.751030357e+00 2.02 -4.023662580e+00 -4.023662580e+00 2.04 -3.554367290e+00 -3.554367290e+00 2.06 -3.272916419e+00 -3.272916419e+00 2.08 -3.125397198e+00 -3.125397198e+00 2.10 -3.071439597e+00 -3.071439597e+00 2.12 -3.081782317e+00 -3.081782317e+00 2.14 -3.135790726e+00 -3.135790726e+00 2.16 -3.217843048e+00 -3.217843048e+00 2.18 -3.314933724e+00 -3.314933724e+00 2.20 -3.415875409e+00 -3.415875409e+00 2.22 -3.512929279e+00 -3.512929279e+00 2.24 -3.603022770e+00 -3.603022770e+00 2.26 -3.684122428e+00 -3.684122428e+00 2.28 -3.755123748e+00 -3.755123748e+00 2.30 -3.816377878e+00 -3.816377878e+00 2.32 -3.868275409e+00 -3.868275409e+00 2.34 -3.911763738e+00 -3.911763738e+00 2.36 -3.948626631e+00 -3.948626631e+00 2.38 -3.980963013e+00 -3.980963013e+00 2.40 -4.011120003e+00 -4.011120003e+00 2.42 -4.040487389e+00 -4.040487389e+00 2.44 -4.069179370e+00 -4.069179370e+00 2.46 -4.096973657e+00 -4.096973657e+00 2.48 -4.123365438e+00 -4.123365438e+00 2.50 -4.147652042e+00 -4.147652042e+00 2.52 -4.168550055e+00 -4.168550055e+00 2.54 -4.184643858e+00 -4.184643858e+00 2.56 -4.194631165e+00 -4.194631165e+00 2.58 -4.197402438e+00 -4.197402438e+00 2.60 -4.192562868e+00 -4.192562868e+00 2.62 -4.179898918e+00 -4.179898918e+00 2.64 -4.159281676e+00 -4.159281676e+00 2.66 -4.131182877e+00 -4.131182877e+00 2.68 -4.095986262e+00 -4.095986262e+00 2.70 -4.053952210e+00 -4.053952210e+00 2.72 -4.005339327e+00 -4.005339327e+00 2.74 -3.950497178e+00 -3.950497178e+00 2.76 -3.889993991e+00 -3.889993991e+00 2.78 -3.824670411e+00 -3.824670411e+00 2.80 -3.755488049e+00 -3.755488049e+00 2.82 -3.683424889e+00 -3.683424889e+00 2.84 -3.609313674e+00 -3.609313674e+00 2.86 -3.533846017e+00 -3.533846017e+00 2.88 -3.457533070e+00 -3.457533070e+00 2.90 -3.380760190e+00 -3.380760190e+00 2.92 -3.303874423e+00 -3.303874423e+00 2.94 -3.227266865e+00 -3.227266865e+00 2.96 -3.151419542e+00 -3.151419542e+00 2.98 -3.076915717e+00 -3.076915717e+00 3.00 -3.004445241e+00 -3.004445241e+00 3.02 -2.934793673e+00 -2.934793673e+00 3.04 -2.868790535e+00 -2.868790535e+00 3.06 -2.807114567e+00 -2.807114567e+00 3.08 -2.750231901e+00 -2.750231901e+00 3.10 -2.698411967e+00 -2.698411967e+00 3.12 -2.651858011e+00 -2.651858011e+00 3.14 -2.607558349e+00 -2.607558349e+00 3.16 -2.558360227e+00 -2.558360227e+00 3.18 -2.496992955e+00 -2.496992955e+00 3.20 -2.416680421e+00 -2.416680421e+00 3.22 -2.311274795e+00 -2.311274795e+00 3.24 -2.175668974e+00 -2.175668974e+00 3.26 -2.006420222e+00 -2.006420222e+00 3.28 -1.802386688e+00 -1.802386688e+00 3.30 -1.570082235e+00 -1.570082235e+00 3.32 -1.327249681e+00 -1.327249681e+00 3.34 -1.089182729e+00 -1.089182729e+00 3.36 -8.662838794e-01 -8.662838794e-01 3.38 -6.643229693e-01 -6.643229693e-01 3.40 -4.854389585e-01 -4.854389585e-01 3.42 -3.294934102e-01 -3.294934102e-01 3.44 -1.952776289e-01 -1.952776289e-01 3.46 -8.131677517e-02 -8.131677517e-02 3.48 1.375203876e-02 1.375203876e-02 3.50 9.111780412e-02 9.111780412e-02 3.52 1.518986809e-01 1.518986809e-01 3.54 1.972776345e-01 1.972776345e-01 3.56 2.286394500e-01 2.286394500e-01 3.58 2.475904757e-01 2.475904757e-01 3.60 2.558489368e-01 2.558489368e-01 3.62 2.551878510e-01 2.551878510e-01 3.64 2.473988554e-01 2.473988554e-01 3.66 2.342612246e-01 2.342612246e-01 3.68 2.174991604e-01 2.174991604e-01 3.70 1.987459535e-01 1.987459535e-01 3.72 1.793693335e-01 1.793693335e-01 3.74 1.604083294e-01 1.604083294e-01 3.76 1.426739953e-01 1.426739953e-01 3.78 1.267668612e-01 1.267668612e-01 3.80 1.130935553e-01 1.130935553e-01 3.82 1.018856677e-01 1.018856677e-01 3.84 9.321828574e-02 9.321828574e-02 3.86 8.705540870e-02 8.705540870e-02 3.88 8.347366323e-02 8.347366323e-02 3.90 8.259447322e-02 8.259447322e-02 3.92 8.448399181e-02 8.448399181e-02 3.94 8.914957678e-02 8.914957678e-02 3.96 9.653861918e-02 9.653861918e-02 3.98 1.065535995e-01 1.065535995e-01 4.00 1.190589468e-01 1.190589468e-01 4.02 1.338861274e-01 1.338861274e-01 4.04 1.508379132e-01 1.508379132e-01 4.06 1.696934370e-01 1.696934370e-01 4.08 1.902106700e-01 1.902106700e-01 4.10 2.121286526e-01 2.121286526e-01 4.12 2.351746866e-01 2.351746866e-01 4.14 2.590611457e-01 2.590611457e-01 4.16 2.834839857e-01 2.834839857e-01 4.18 3.081357733e-01 3.081357733e-01 4.20 3.327042103e-01 3.327042103e-01 4.22 3.568537953e-01 3.568537953e-01 4.24 3.802437815e-01 3.802437815e-01 4.26 4.025382370e-01 4.025382370e-01 4.28 4.234174715e-01 4.234174715e-01 4.30 4.426143355e-01 4.426143355e-01 4.32 4.597790702e-01 4.597790702e-01 4.34 4.740325924e-01 4.740325924e-01 4.36 4.848972277e-01 4.848972277e-01 4.38 4.924662553e-01 4.924662553e-01 4.40 4.971205133e-01 4.971205133e-01 4.42 4.993771301e-01 4.993771301e-01 4.44 4.997703557e-01 4.997703557e-01 4.46 4.987601021e-01 4.987601021e-01 4.48 4.966677323e-01 4.966677323e-01 4.50 4.936387404e-01 4.936387404e-01 4.52 4.896306700e-01 4.896306700e-01 4.54 4.844454830e-01 4.844454830e-01 4.56 4.778299332e-01 4.778299332e-01 4.58 4.694840896e-01 4.694840896e-01 4.60 4.591040563e-01 4.591040563e-01 4.62 4.464311432e-01 4.464311432e-01 4.64 4.312859019e-01 4.312859019e-01 4.66 4.135824483e-01 4.135824483e-01 4.68 3.933250864e-01 3.933250864e-01 4.70 3.705916532e-01 3.705916532e-01 4.72 3.455117903e-01 3.455117903e-01 4.74 3.182551412e-01 3.182551412e-01 4.76 2.890255346e-01 2.890255346e-01 4.78 2.580491293e-01 2.580491293e-01 4.80 2.255525994e-01 2.255525994e-01 4.82 1.918153065e-01 1.918153065e-01 4.84 1.571634570e-01 1.571634570e-01 4.86 1.219545496e-01 1.219545496e-01 4.88 8.656397987e-02 8.656397987e-02 4.90 5.137368983e-02 5.137368983e-02 4.92 1.676318939e-02 1.676318939e-02 4.94 -1.690461220e-02 -1.690461220e-02 4.96 -4.906677737e-02 -4.906677737e-02 4.98 -7.817241306e-02 -7.817241306e-02 5.00 -1.029677793e-01 -1.029677793e-01 5.02 -1.227838910e-01 -1.227838910e-01 5.04 -1.374994207e-01 -1.374994207e-01 5.06 -1.474544964e-01 -1.474544964e-01 5.08 -1.533281121e-01 -1.533281121e-01 5.10 -1.560056315e-01 -1.560056315e-01 5.12 -1.564499457e-01 -1.564499457e-01 5.14 -1.555723104e-01 -1.555723104e-01 5.16 -1.541134262e-01 -1.541134262e-01 5.18 -1.525467451e-01 -1.525467451e-01 5.20 -1.510156114e-01 -1.510156114e-01 5.22 -1.493149502e-01 -1.493149502e-01 5.24 -1.469450024e-01 -1.469450024e-01 5.26 -1.432640231e-01 -1.432640231e-01 5.28 -1.376550390e-01 -1.376550390e-01 5.30 -1.296759592e-01 -1.296759592e-01 5.32 -1.191715400e-01 -1.191715400e-01 5.34 -1.063256380e-01 -1.063256380e-01 5.36 -9.164505732e-02 -9.164505732e-02 5.38 -7.587983859e-02 -7.587983859e-02 5.40 -5.990196299e-02 -5.990196299e-02 5.42 -4.457129443e-02 -4.457129443e-02 5.44 -3.062092066e-02 -3.062092066e-02 5.46 -1.858204545e-02 -1.858204545e-02 5.48 -8.755022550e-03 -8.755022550e-03 5.50 -1.225873276e-03 -1.225873276e-03 5.52 4.101405034e-03 4.101405034e-03 5.54 7.455061047e-03 7.455061047e-03 5.56 9.146909562e-03 9.146909562e-03 5.58 9.530458053e-03 9.530458053e-03 5.60 8.965365671e-03 8.965365671e-03 5.62 7.790162981e-03 7.790162981e-03 5.64 6.302049887e-03 6.302049887e-03 5.66 4.743387371e-03 4.743387371e-03 5.68 3.295305050e-03 3.295305050e-03 5.70 2.077764813e-03 2.077764813e-03 5.72 1.152086004e-03 1.152086004e-03 5.74 5.286910272e-04 5.286910272e-04 5.76 1.757412327e-04 1.757412327e-04 5.78 2.862310382e-05 2.862310382e-05 5.80 1.727912222e-07 1.727912222e-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