# 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 = CoCrFe2 # 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 -5.946622840e+02 -5.946622840e+02 1.04 -5.596852376e+02 -5.596852376e+02 1.06 -5.276808051e+02 -5.276808051e+02 1.08 -4.980949106e+02 -4.980949106e+02 1.10 -4.703742504e+02 -4.703742504e+02 1.12 -4.443008397e+02 -4.443008397e+02 1.14 -4.197794666e+02 -4.197794666e+02 1.16 -3.966615366e+02 -3.966615366e+02 1.18 -3.746283452e+02 -3.746283452e+02 1.20 -3.533309084e+02 -3.533309084e+02 1.22 -3.328103048e+02 -3.328103048e+02 1.24 -3.135185279e+02 -3.135185279e+02 1.26 -2.958173604e+02 -2.958173604e+02 1.28 -2.797381543e+02 -2.797381543e+02 1.30 -2.650322081e+02 -2.650322081e+02 1.32 -2.514756039e+02 -2.514756039e+02 1.34 -2.388422466e+02 -2.388422466e+02 1.36 -2.268234692e+02 -2.268234692e+02 1.38 -2.151191714e+02 -2.151191714e+02 1.40 -2.035807858e+02 -2.035807858e+02 1.42 -1.922072650e+02 -1.922072650e+02 1.44 -1.810475389e+02 -1.810475389e+02 1.46 -1.700748079e+02 -1.700748079e+02 1.48 -1.591982144e+02 -1.591982144e+02 1.50 -1.483908147e+02 -1.483908147e+02 1.52 -1.376791006e+02 -1.376791006e+02 1.54 -1.271325506e+02 -1.271325506e+02 1.56 -1.168803386e+02 -1.168803386e+02 1.58 -1.071152661e+02 -1.071152661e+02 1.60 -9.799189355e+01 -9.799189355e+01 1.62 -8.952411107e+01 -8.952411107e+01 1.64 -8.163466345e+01 -8.163466345e+01 1.66 -7.425580581e+01 -7.425580581e+01 1.68 -6.734291456e+01 -6.734291456e+01 1.70 -6.082946203e+01 -6.082946203e+01 1.72 -5.463919061e+01 -5.463919061e+01 1.74 -4.870692667e+01 -4.870692667e+01 1.76 -4.300710031e+01 -4.300710031e+01 1.78 -3.754133252e+01 -3.754133252e+01 1.80 -3.232734688e+01 -3.232734688e+01 1.82 -2.738377738e+01 -2.738377738e+01 1.84 -2.271595948e+01 -2.271595948e+01 1.86 -1.830953844e+01 -1.830953844e+01 1.88 -1.424962508e+01 -1.424962508e+01 1.90 -1.086622614e+01 -1.086622614e+01 1.92 -8.141822663e+00 -8.141822663e+00 1.94 -6.144831201e+00 -6.144831201e+00 1.96 -4.729818799e+00 -4.729818799e+00 1.98 -3.749524118e+00 -3.749524118e+00 2.00 -3.091967469e+00 -3.091967469e+00 2.02 -2.677085547e+00 -2.677085547e+00 2.04 -2.448254985e+00 -2.448254985e+00 2.06 -2.362470881e+00 -2.362470881e+00 2.08 -2.383470230e+00 -2.383470230e+00 2.10 -2.479935165e+00 -2.479935165e+00 2.12 -2.624979401e+00 -2.624979401e+00 2.14 -2.796322648e+00 -2.796322648e+00 2.16 -2.977223691e+00 -2.977223691e+00 2.18 -3.156180929e+00 -3.156180929e+00 2.20 -3.324963906e+00 -3.324963906e+00 2.22 -3.479935957e+00 -3.479935957e+00 2.24 -3.621777833e+00 -3.621777833e+00 2.26 -3.750164045e+00 -3.750164045e+00 2.28 -3.864137185e+00 -3.864137185e+00 2.30 -3.963271916e+00 -3.963271916e+00 2.32 -4.047442954e+00 -4.047442954e+00 2.34 -4.116488803e+00 -4.116488803e+00 2.36 -4.170756406e+00 -4.170756406e+00 2.38 -4.211246754e+00 -4.211246754e+00 2.40 -4.239395738e+00 -4.239395738e+00 2.42 -4.256860759e+00 -4.256860759e+00 2.44 -4.265089252e+00 -4.265089252e+00 2.46 -4.265318695e+00 -4.265318695e+00 2.48 -4.258718924e+00 -4.258718924e+00 2.50 -4.246207276e+00 -4.246207276e+00 2.52 -4.228107967e+00 -4.228107967e+00 2.54 -4.204492241e+00 -4.204492241e+00 2.56 -4.175471574e+00 -4.175471574e+00 2.58 -4.141078492e+00 -4.141078492e+00 2.60 -4.101399050e+00 -4.101399050e+00 2.62 -4.056969995e+00 -4.056969995e+00 2.64 -4.008489194e+00 -4.008489194e+00 2.66 -3.956622332e+00 -3.956622332e+00 2.68 -3.901804936e+00 -3.901804936e+00 2.70 -3.844274396e+00 -3.844274396e+00 2.72 -3.784129992e+00 -3.784129992e+00 2.74 -3.721363442e+00 -3.721363442e+00 2.76 -3.655985130e+00 -3.655985130e+00 2.78 -3.588237419e+00 -3.588237419e+00 2.80 -3.518627124e+00 -3.518627124e+00 2.82 -3.447973262e+00 -3.447973262e+00 2.84 -3.377349236e+00 -3.377349236e+00 2.86 -3.308019198e+00 -3.308019198e+00 2.88 -3.241165182e+00 -3.241165182e+00 2.90 -3.177858428e+00 -3.177858428e+00 2.92 -3.118993144e+00 -3.118993144e+00 2.94 -3.065346087e+00 -3.065346087e+00 2.96 -3.017533091e+00 -3.017533091e+00 2.98 -2.976065777e+00 -2.976065777e+00 3.00 -2.940526180e+00 -2.940526180e+00 3.02 -2.904409592e+00 -2.904409592e+00 3.04 -2.858746703e+00 -2.858746703e+00 3.06 -2.794602220e+00 -2.794602220e+00 3.08 -2.703107308e+00 -2.703107308e+00 3.10 -2.575596500e+00 -2.575596500e+00 3.12 -2.403944154e+00 -2.403944154e+00 3.14 -2.180847824e+00 -2.180847824e+00 3.16 -1.900041602e+00 -1.900041602e+00 3.18 -1.557061211e+00 -1.557061211e+00 3.20 -1.160247005e+00 -1.160247005e+00 3.22 -7.338049201e-01 -7.338049201e-01 3.24 -3.018572531e-01 -3.018572531e-01 3.26 1.137354720e-01 1.137354720e-01 3.28 4.947137185e-01 4.947137185e-01 3.30 8.279603413e-01 8.279603413e-01 3.32 1.106667975e+00 1.106667975e+00 3.34 1.330497510e+00 1.330497510e+00 3.36 1.504447754e+00 1.504447754e+00 3.38 1.636703351e+00 1.636703351e+00 3.40 1.736313788e+00 1.736313788e+00 3.42 1.811485796e+00 1.811485796e+00 3.44 1.868719880e+00 1.868719880e+00 3.46 1.912730521e+00 1.912730521e+00 3.48 1.946806283e+00 1.946806283e+00 3.50 1.973296278e+00 1.973296278e+00 3.52 1.994033048e+00 1.994033048e+00 3.54 2.010614898e+00 2.010614898e+00 3.56 2.024535210e+00 2.024535210e+00 3.58 2.037088154e+00 2.037088154e+00 3.60 2.049208723e+00 2.049208723e+00 3.62 2.061577617e+00 2.061577617e+00 3.64 2.074659806e+00 2.074659806e+00 3.66 2.088732200e+00 2.088732200e+00 3.68 2.103904553e+00 2.103904553e+00 3.70 2.120146347e+00 2.120146347e+00 3.72 2.137311743e+00 2.137311743e+00 3.74 2.155162580e+00 2.155162580e+00 3.76 2.173389950e+00 2.173389950e+00 3.78 2.191632121e+00 2.191632121e+00 3.80 2.209490455e+00 2.209490455e+00 3.82 2.226541694e+00 2.226541694e+00 3.84 2.242346907e+00 2.242346907e+00 3.86 2.256481078e+00 2.256481078e+00 3.88 2.268722038e+00 2.268722038e+00 3.90 2.278938007e+00 2.278938007e+00 3.92 2.286825267e+00 2.286825267e+00 3.94 2.292181502e+00 2.292181502e+00 3.96 2.295047461e+00 2.295047461e+00 3.98 2.295559635e+00 2.295559635e+00 4.00 2.293880767e+00 2.293880767e+00 4.02 2.290159291e+00 2.290159291e+00 4.04 2.284501815e+00 2.284501815e+00 4.06 2.276959876e+00 2.276959876e+00 4.08 2.267525334e+00 2.267525334e+00 4.10 2.256133547e+00 2.256133547e+00 4.12 2.242671583e+00 2.242671583e+00 4.14 2.226981588e+00 2.226981588e+00 4.16 2.208868720e+00 2.208868720e+00 4.18 2.188127275e+00 2.188127275e+00 4.20 2.164551174e+00 2.164551174e+00 4.22 2.137936066e+00 2.137936066e+00 4.24 2.108095352e+00 2.108095352e+00 4.26 2.074870652e+00 2.074870652e+00 4.28 2.038127851e+00 2.038127851e+00 4.30 1.997651820e+00 1.997651820e+00 4.32 1.953140022e+00 1.953140022e+00 4.34 1.904256890e+00 1.904256890e+00 4.36 1.850632591e+00 1.850632591e+00 4.38 1.791865796e+00 1.791865796e+00 4.40 1.727527870e+00 1.727527870e+00 4.42 1.657171801e+00 1.657171801e+00 4.44 1.580346053e+00 1.580346053e+00 4.46 1.496615897e+00 1.496615897e+00 4.48 1.405593627e+00 1.405593627e+00 4.50 1.306978156e+00 1.306978156e+00 4.52 1.200620046e+00 1.200620046e+00 4.54 1.086705305e+00 1.086705305e+00 4.56 9.657984933e-01 9.657984933e-01 4.58 8.388414418e-01 8.388414418e-01 4.60 7.071986563e-01 7.071986563e-01 4.62 5.726703341e-01 5.726703341e-01 4.64 4.374527483e-01 4.374527483e-01 4.66 3.040334590e-01 3.040334590e-01 4.68 1.750186000e-01 1.750186000e-01 4.70 5.290665341e-02 5.290665341e-02 4.72 -6.015303806e-02 -6.015303806e-02 4.74 -1.614853314e-01 -1.614853314e-01 4.76 -2.434694181e-01 -2.434694181e-01 4.78 -3.028800851e-01 -3.028800851e-01 4.80 -3.415026415e-01 -3.415026415e-01 4.82 -3.633534905e-01 -3.633534905e-01 4.84 -3.728135967e-01 -3.728135967e-01 4.86 -3.736513308e-01 -3.736513308e-01 4.88 -3.687080902e-01 -3.687080902e-01 4.90 -3.599661406e-01 -3.599661406e-01 4.92 -3.487781747e-01 -3.487781747e-01 4.94 -3.361209694e-01 -3.361209694e-01 4.96 -3.228050517e-01 -3.228050517e-01 4.98 -3.096177571e-01 -3.096177571e-01 5.00 -2.973895026e-01 -2.973895026e-01 5.02 -2.869888021e-01 -2.869888021e-01 5.04 -2.792423301e-01 -2.792423301e-01 5.06 -2.747148834e-01 -2.747148834e-01 5.08 -2.736597129e-01 -2.736597129e-01 5.10 -2.760452774e-01 -2.760452774e-01 5.12 -2.815345591e-01 -2.815345591e-01 5.14 -2.894793845e-01 -2.894793845e-01 5.16 -2.989352589e-01 -2.989352589e-01 5.18 -3.087033832e-01 -3.087033832e-01 5.20 -3.173993310e-01 -3.173993310e-01 5.22 -3.235462017e-01 -3.235462017e-01 5.24 -3.257036070e-01 -3.257036070e-01 5.26 -3.226951127e-01 -3.226951127e-01 5.28 -3.137632510e-01 -3.137632510e-01 5.30 -2.986663612e-01 -2.986663612e-01 5.32 -2.777201566e-01 -2.777201566e-01 5.34 -2.517710315e-01 -2.517710315e-01 5.36 -2.220994347e-01 -2.220994347e-01 5.38 -1.902649958e-01 -1.902649958e-01 5.40 -1.579194903e-01 -1.579194903e-01 5.42 -1.266191302e-01 -1.266191302e-01 5.44 -9.767123585e-02 -9.767123585e-02 5.46 -7.203492760e-02 -7.203492760e-02 5.48 -5.028555883e-02 -5.028555883e-02 5.50 -3.263378725e-02 -3.263378725e-02 5.52 -1.898121252e-02 -1.898121252e-02 5.54 -8.996425632e-03 -8.996425632e-03 5.56 -2.189790724e-03 -2.189790724e-03 5.58 2.006778031e-03 2.006778031e-03 5.60 4.182690984e-03 4.182690984e-03 5.62 4.899455875e-03 4.899455875e-03 5.64 4.657636927e-03 4.657636927e-03 5.66 3.875555033e-03 3.875555033e-03 5.68 2.879061749e-03 2.879061749e-03 5.70 1.901807219e-03 1.901807219e-03 5.72 1.089742375e-03 1.089742375e-03 5.74 5.117952313e-04 5.117952313e-04 5.76 1.726750980e-04 1.726750980e-04 5.78 2.836361615e-05 2.836361615e-05 5.80 1.847796893e-07 1.847796893e-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