# 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 = Al2CoFe # 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 -4.137310227e+02 -4.137310227e+02 1.04 -3.914566413e+02 -3.914566413e+02 1.06 -3.709736901e+02 -3.709736901e+02 1.08 -3.518734146e+02 -3.518734146e+02 1.10 -3.337509896e+02 -3.337509896e+02 1.12 -3.163502693e+02 -3.163502693e+02 1.14 -2.996158647e+02 -2.996158647e+02 1.16 -2.834920262e+02 -2.834920262e+02 1.18 -2.679681697e+02 -2.679681697e+02 1.20 -2.531742716e+02 -2.531742716e+02 1.22 -2.392153550e+02 -2.392153550e+02 1.24 -2.261002746e+02 -2.261002746e+02 1.26 -2.139970018e+02 -2.139970018e+02 1.28 -2.030201305e+02 -2.030201305e+02 1.30 -1.930411513e+02 -1.930411513e+02 1.32 -1.837657843e+02 -1.837657843e+02 1.34 -1.749159789e+02 -1.749159789e+02 1.36 -1.663675893e+02 -1.663675893e+02 1.38 -1.580759832e+02 -1.580759832e+02 1.40 -1.499736850e+02 -1.499736850e+02 1.42 -1.419857111e+02 -1.419857111e+02 1.44 -1.340686321e+02 -1.340686321e+02 1.46 -1.261494240e+02 -1.261494240e+02 1.48 -1.182054753e+02 -1.182054753e+02 1.50 -1.103635810e+02 -1.103635810e+02 1.52 -1.027782908e+02 -1.027782908e+02 1.54 -9.554647847e+01 -9.554647847e+01 1.56 -8.871632128e+01 -8.871632128e+01 1.58 -8.232122474e+01 -8.232122474e+01 1.60 -7.636617052e+01 -7.636617052e+01 1.62 -7.079855444e+01 -7.079855444e+01 1.64 -6.559854523e+01 -6.559854523e+01 1.66 -6.077141762e+01 -6.077141762e+01 1.68 -5.631119639e+01 -5.631119639e+01 1.70 -5.220412705e+01 -5.220412705e+01 1.72 -4.841692882e+01 -4.841692882e+01 1.74 -4.489494565e+01 -4.489494565e+01 1.76 -4.159284655e+01 -4.159284655e+01 1.78 -3.846059449e+01 -3.846059449e+01 1.80 -3.544452582e+01 -3.544452582e+01 1.82 -3.249561246e+01 -3.249561246e+01 1.84 -2.958285959e+01 -2.958285959e+01 1.86 -2.671466996e+01 -2.671466996e+01 1.88 -2.392207746e+01 -2.392207746e+01 1.90 -2.123650578e+01 -2.123650578e+01 1.92 -1.868306049e+01 -1.868306049e+01 1.94 -1.627630390e+01 -1.627630390e+01 1.96 -1.401585754e+01 -1.401585754e+01 1.98 -1.188210746e+01 -1.188210746e+01 2.00 -9.851614345e+00 -9.851614345e+00 2.02 -7.970797936e+00 -7.970797936e+00 2.04 -6.423320125e+00 -6.423320125e+00 2.06 -5.282202619e+00 -5.282202619e+00 2.08 -4.471183318e+00 -4.471183318e+00 2.10 -3.919801181e+00 -3.919801181e+00 2.12 -3.560745263e+00 -3.560745263e+00 2.14 -3.340998619e+00 -3.340998619e+00 2.16 -3.222081646e+00 -3.222081646e+00 2.18 -3.176433039e+00 -3.176433039e+00 2.20 -3.182456348e+00 -3.182456348e+00 2.22 -3.222546629e+00 -3.222546629e+00 2.24 -3.283886259e+00 -3.283886259e+00 2.26 -3.355862406e+00 -3.355862406e+00 2.28 -3.430491023e+00 -3.430491023e+00 2.30 -3.502350706e+00 -3.502350706e+00 2.32 -3.569458167e+00 -3.569458167e+00 2.34 -3.631628375e+00 -3.631628375e+00 2.36 -3.688587206e+00 -3.688587206e+00 2.38 -3.739877167e+00 -3.739877167e+00 2.40 -3.785196316e+00 -3.785196316e+00 2.42 -3.825005946e+00 -3.825005946e+00 2.44 -3.860319111e+00 -3.860319111e+00 2.46 -3.892132355e+00 -3.892132355e+00 2.48 -3.921370431e+00 -3.921370431e+00 2.50 -3.948882263e+00 -3.948882263e+00 2.52 -3.974537350e+00 -3.974537350e+00 2.54 -3.997132429e+00 -3.997132429e+00 2.56 -4.015574027e+00 -4.015574027e+00 2.58 -4.028965730e+00 -4.028965730e+00 2.60 -4.036673767e+00 -4.036673767e+00 2.62 -4.038428306e+00 -4.038428306e+00 2.64 -4.034670621e+00 -4.034670621e+00 2.66 -4.025931424e+00 -4.025931424e+00 2.68 -4.012452213e+00 -4.012452213e+00 2.70 -3.994246998e+00 -3.994246998e+00 2.72 -3.971184348e+00 -3.971184348e+00 2.74 -3.943070402e+00 -3.943070402e+00 2.76 -3.909991212e+00 -3.909991212e+00 2.78 -3.872296932e+00 -3.872296932e+00 2.80 -3.830185615e+00 -3.830185615e+00 2.82 -3.783652916e+00 -3.783652916e+00 2.84 -3.732510919e+00 -3.732510919e+00 2.86 -3.676696329e+00 -3.676696329e+00 2.88 -3.616418608e+00 -3.616418608e+00 2.90 -3.552237031e+00 -3.552237031e+00 2.92 -3.484891687e+00 -3.484891687e+00 2.94 -3.415283742e+00 -3.415283742e+00 2.96 -3.344350766e+00 -3.344350766e+00 2.98 -3.272949397e+00 -3.272949397e+00 3.00 -3.201818046e+00 -3.201818046e+00 3.02 -3.131572095e+00 -3.131572095e+00 3.04 -3.062698150e+00 -3.062698150e+00 3.06 -2.995576858e+00 -2.995576858e+00 3.08 -2.930516846e+00 -2.930516846e+00 3.10 -2.867697541e+00 -2.867697541e+00 3.12 -2.807286874e+00 -2.807286874e+00 3.14 -2.749459602e+00 -2.749459602e+00 3.16 -2.694389022e+00 -2.694389022e+00 3.18 -2.642224072e+00 -2.642224072e+00 3.20 -2.593132914e+00 -2.593132914e+00 3.22 -2.547165607e+00 -2.547165607e+00 3.24 -2.504193200e+00 -2.504193200e+00 3.26 -2.463723996e+00 -2.463723996e+00 3.28 -2.423964595e+00 -2.423964595e+00 3.30 -2.382852746e+00 -2.382852746e+00 3.32 -2.338820695e+00 -2.338820695e+00 3.34 -2.290910328e+00 -2.290910328e+00 3.36 -2.238720000e+00 -2.238720000e+00 3.38 -2.182249393e+00 -2.182249393e+00 3.40 -2.121679197e+00 -2.121679197e+00 3.42 -2.057153508e+00 -2.057153508e+00 3.44 -1.988667862e+00 -1.988667862e+00 3.46 -1.916021881e+00 -1.916021881e+00 3.48 -1.838823812e+00 -1.838823812e+00 3.50 -1.756523038e+00 -1.756523038e+00 3.52 -1.668481261e+00 -1.668481261e+00 3.54 -1.574154758e+00 -1.574154758e+00 3.56 -1.473077131e+00 -1.473077131e+00 3.58 -1.364811290e+00 -1.364811290e+00 3.60 -1.248915775e+00 -1.248915775e+00 3.62 -1.124966534e+00 -1.124966534e+00 3.64 -9.932149589e-01 -9.932149589e-01 3.66 -8.549814148e-01 -8.549814148e-01 3.68 -7.117761720e-01 -7.117761720e-01 3.70 -5.651996341e-01 -5.651996341e-01 3.72 -4.168679932e-01 -4.168679932e-01 3.74 -2.683872738e-01 -2.683872738e-01 3.76 -1.213839469e-01 -1.213839469e-01 3.78 2.250809017e-02 2.250809017e-02 3.80 1.616641653e-01 1.616641653e-01 3.82 2.944857166e-01 2.944857166e-01 3.84 4.194161931e-01 4.194161931e-01 3.86 5.349558240e-01 5.349558240e-01 3.88 6.396628594e-01 6.396628594e-01 3.90 7.321756082e-01 7.321756082e-01 3.92 8.112365714e-01 8.112365714e-01 3.94 8.756999344e-01 8.756999344e-01 3.96 9.245569036e-01 9.245569036e-01 3.98 9.569834298e-01 9.569834298e-01 4.00 9.723622846e-01 9.723622846e-01 4.02 9.703002605e-01 9.703002605e-01 4.04 9.506374260e-01 9.506374260e-01 4.06 9.134695135e-01 9.134695135e-01 4.08 8.591394017e-01 8.591394017e-01 4.10 7.882358743e-01 7.882358743e-01 4.12 7.016182417e-01 7.016182417e-01 4.14 6.004037103e-01 6.004037103e-01 4.16 4.859628581e-01 4.859628581e-01 4.18 3.599179215e-01 3.599179215e-01 4.20 2.241274969e-01 2.241274969e-01 4.22 8.066123455e-02 8.066123455e-02 4.24 -6.821664466e-02 -6.821664466e-02 4.26 -2.062297154e-01 -2.062297154e-01 4.28 -2.067989532e-01 -2.067989532e-01 4.30 5.971104926e-02 5.971104926e-02 4.32 6.577635386e-01 6.577635386e-01 4.34 1.599450234e+00 1.599450234e+00 4.36 2.856533253e+00 2.856533253e+00 4.38 4.371301571e+00 4.371301571e+00 4.40 6.066271690e+00 6.066271690e+00 4.42 7.851962679e+00 7.851962679e+00 4.44 9.634727762e+00 9.634727762e+00 4.46 1.132435941e+01 1.132435941e+01 4.48 1.283957928e+01 1.283957928e+01 4.50 1.411246874e+01 1.411246874e+01 4.52 1.509252830e+01 1.509252830e+01 4.54 1.575460747e+01 1.575460747e+01 4.56 1.609689021e+01 1.609689021e+01 4.58 1.613613571e+01 1.613613571e+01 4.60 1.590441352e+01 1.590441352e+01 4.62 1.544500617e+01 1.544500617e+01 4.64 1.480763704e+01 1.480763704e+01 4.66 1.404356275e+01 1.404356275e+01 4.68 1.320102163e+01 1.320102163e+01 4.70 1.232160197e+01 1.232160197e+01 4.72 1.143783210e+01 1.143783210e+01 4.74 1.057234526e+01 1.057234526e+01 4.76 9.738441062e+00 9.738441062e+00 4.78 8.941657293e+00 8.941657293e+00 4.80 8.182146703e+00 8.182146703e+00 4.82 7.457078868e+00 7.457078868e+00 4.84 6.762821817e+00 6.762821817e+00 4.86 6.096517851e+00 6.096517851e+00 4.88 5.456976757e+00 5.456976757e+00 4.90 4.844934687e+00 4.844934687e+00 4.92 4.262816933e+00 4.262816933e+00 4.94 3.714165387e+00 3.714165387e+00 4.96 3.202948970e+00 3.202948970e+00 4.98 2.732890918e+00 2.732890918e+00 5.00 2.306919437e+00 2.306919437e+00 5.02 1.926273035e+00 1.926273035e+00 5.04 1.589161716e+00 1.589161716e+00 5.06 1.292420364e+00 1.292420364e+00 5.08 1.032688070e+00 1.032688070e+00 5.10 8.068821187e-01 8.068821187e-01 5.12 6.121765035e-01 6.121765035e-01 5.14 4.459652304e-01 4.459652304e-01 5.16 3.058277123e-01 3.058277123e-01 5.18 1.894954666e-01 1.894954666e-01 5.20 9.481259425e-02 9.481259425e-02 5.22 1.970371096e-02 1.970371096e-02 5.24 -3.785040370e-02 -3.785040370e-02 5.26 -7.984611656e-02 -7.984611656e-02 5.28 -1.082776705e-01 -1.082776705e-01 5.30 -1.251399064e-01 -1.251399064e-01 5.32 -1.324175309e-01 -1.324175309e-01 5.34 -1.320563372e-01 -1.320563372e-01 5.36 -1.259207146e-01 -1.259207146e-01 5.38 -1.157416469e-01 -1.157416469e-01 5.40 -1.030634635e-01 -1.030634635e-01 5.42 -8.919883357e-02 -8.919883357e-02 5.44 -7.519927525e-02 -7.519927525e-02 5.46 -6.184817888e-02 -6.184817888e-02 5.48 -4.967361572e-02 -4.967361572e-02 5.50 -3.898032356e-02 -3.898032356e-02 5.52 -2.989167356e-02 -2.989167356e-02 5.54 -2.239278849e-02 -2.239278849e-02 5.56 -1.637407403e-02 -1.637407403e-02 5.58 -1.166917876e-02 -1.166917876e-02 5.60 -8.086391670e-03 -8.086391670e-03 5.62 -5.430502657e-03 -5.430502657e-03 5.64 -3.516619561e-03 -3.516619561e-03 5.66 -2.179695930e-03 -2.179695930e-03 5.68 -1.278558228e-03 -1.278558228e-03 5.70 -6.968382962e-04 -6.968382962e-04 5.72 -3.418389451e-04 -3.418389451e-04 5.74 -1.422564299e-04 -1.422564299e-04 5.76 -4.394980934e-05 -4.394980934e-05 5.78 -6.858055968e-06 -6.858055968e-06 5.80 -3.150019318e-08 -3.150019318e-08 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