# 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--ipr1 # composition = Co2CuFe # 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 nan nan 1.04 -4.918215857e+02 -4.918215857e+02 1.06 -4.647770474e+02 -4.647770474e+02 1.08 -4.394393380e+02 -4.394393380e+02 1.10 -4.153851641e+02 -4.153851641e+02 1.12 -3.918099051e+02 -3.918099051e+02 1.14 -3.685148578e+02 -3.685148578e+02 1.16 -3.460609018e+02 -3.460609018e+02 1.18 -3.244666707e+02 -3.244666707e+02 1.20 -3.045873686e+02 -3.045873686e+02 1.22 -2.867651222e+02 -2.867651222e+02 1.24 -2.704850341e+02 -2.704850341e+02 1.26 -2.553155131e+02 -2.553155131e+02 1.28 -2.419372819e+02 -2.419372819e+02 1.30 -2.295664383e+02 -2.295664383e+02 1.32 -2.179331558e+02 -2.179331558e+02 1.34 -2.066153261e+02 -2.066153261e+02 1.36 -1.959116681e+02 -1.959116681e+02 1.38 -1.857531445e+02 -1.857531445e+02 1.40 -1.763899330e+02 -1.763899330e+02 1.42 -1.672612308e+02 -1.672612308e+02 1.44 -1.580501525e+02 -1.580501525e+02 1.46 -1.489629951e+02 -1.489629951e+02 1.48 -1.396806460e+02 -1.396806460e+02 1.50 -1.305033089e+02 -1.305033089e+02 1.52 -1.215991858e+02 -1.215991858e+02 1.54 -1.129684452e+02 -1.129684452e+02 1.56 -1.044603618e+02 -1.044603618e+02 1.58 -9.597537449e+01 -9.597537449e+01 1.60 -8.734838272e+01 -8.734838272e+01 1.62 -7.852020932e+01 -7.852020932e+01 1.64 -6.978184486e+01 -6.978184486e+01 1.66 -6.153868971e+01 -6.153868971e+01 1.68 -5.377377838e+01 -5.377377838e+01 1.70 -4.653752265e+01 -4.653752265e+01 1.72 -3.978924357e+01 -3.978924357e+01 1.74 -3.364294945e+01 -3.364294945e+01 1.76 -2.810117071e+01 -2.810117071e+01 1.78 -2.299052120e+01 -2.299052120e+01 1.80 -1.826413588e+01 -1.826413588e+01 1.82 -1.388206408e+01 -1.388206408e+01 1.84 -1.003897718e+01 -1.003897718e+01 1.86 -6.884888576e+00 -6.884888576e+00 1.88 -4.638871017e+00 -4.638871017e+00 1.90 -3.109591092e+00 -3.109591092e+00 1.92 -2.099411962e+00 -2.099411962e+00 1.94 -1.462862043e+00 -1.462862043e+00 1.96 -1.108319022e+00 -1.108319022e+00 1.98 -9.716000367e-01 -9.716000367e-01 2.00 -1.010702831e+00 -1.010703307e+00 2.02 -1.177659424e+00 -1.177659424e+00 2.04 -1.419037415e+00 -1.419037415e+00 2.06 -1.705616879e+00 -1.705616879e+00 2.08 -2.007780223e+00 -2.007780223e+00 2.10 -2.300861685e+00 -2.300861685e+00 2.12 -2.567131188e+00 -2.567131188e+00 2.14 -2.804897054e+00 -2.804897054e+00 2.16 -3.006315387e+00 -3.006315387e+00 2.18 -3.178645804e+00 -3.178645804e+00 2.20 -3.324995108e+00 -3.324995108e+00 2.22 -3.447014540e+00 -3.447014540e+00 2.24 -3.547514424e+00 -3.547514424e+00 2.26 -3.631225740e+00 -3.631225740e+00 2.28 -3.702839481e+00 -3.702839481e+00 2.30 -3.766428125e+00 -3.766428125e+00 2.32 -3.824046084e+00 -3.824046084e+00 2.34 -3.878562246e+00 -3.878562246e+00 2.36 -3.925161686e+00 -3.925161686e+00 2.38 -3.965438336e+00 -3.965438336e+00 2.40 -3.999045694e+00 -3.999045694e+00 2.42 -4.025516280e+00 -4.025516280e+00 2.44 -4.045197103e+00 -4.045197103e+00 2.46 -4.058624575e+00 -4.058624575e+00 2.48 -4.065693687e+00 -4.065693687e+00 2.50 -4.065933596e+00 -4.065933596e+00 2.52 -4.058988750e+00 -4.058988750e+00 2.54 -4.045096651e+00 -4.045096651e+00 2.56 -4.024817756e+00 -4.024817756e+00 2.58 -3.998785530e+00 -3.998785530e+00 2.60 -3.967764614e+00 -3.967764614e+00 2.62 -3.932434842e+00 -3.932434842e+00 2.64 -3.893425932e+00 -3.893425932e+00 2.66 -3.851245684e+00 -3.851245684e+00 2.68 -3.806129408e+00 -3.806129408e+00 2.70 -3.758165928e+00 -3.758165928e+00 2.72 -3.707434768e+00 -3.707434768e+00 2.74 -3.654095673e+00 -3.654095673e+00 2.76 -3.598485589e+00 -3.598485589e+00 2.78 -3.541046808e+00 -3.541046808e+00 2.80 -3.482183411e+00 -3.482183411e+00 2.82 -3.422252291e+00 -3.422252291e+00 2.84 -3.361558017e+00 -3.361558017e+00 2.86 -3.300529954e+00 -3.300529954e+00 2.88 -3.239636563e+00 -3.239636563e+00 2.90 -3.179148221e+00 -3.179148221e+00 2.92 -3.119254117e+00 -3.119254117e+00 2.94 -3.060146953e+00 -3.060146953e+00 2.96 -3.001910062e+00 -3.001910062e+00 2.98 -2.944601461e+00 -2.944601461e+00 3.00 -2.887086727e+00 -2.887086726e+00 3.02 -2.826817314e+00 -2.826817314e+00 3.04 -2.761875215e+00 -2.761875215e+00 3.06 -2.690139419e+00 -2.690139419e+00 3.08 -2.609472842e+00 -2.609472842e+00 3.10 -2.517444184e+00 -2.517444184e+00 3.12 -2.411371453e+00 -2.411371453e+00 3.14 -2.300632688e+00 -2.300632688e+00 3.16 -2.169572132e+00 -2.169572132e+00 3.18 -2.022671389e+00 -2.022671389e+00 3.20 -1.859152549e+00 -1.859152549e+00 3.22 -1.679369880e+00 -1.679369880e+00 3.24 -1.488971445e+00 -1.488971445e+00 3.26 -1.295017275e+00 -1.295017275e+00 3.28 -1.103976483e+00 -1.103976483e+00 3.30 -9.212912179e-01 -9.212912179e-01 3.32 -7.508976610e-01 -7.508976610e-01 3.34 -5.949325951e-01 -5.949325951e-01 3.36 -4.539987844e-01 -4.539987844e-01 3.38 -3.275066707e-01 -3.275066707e-01 3.40 -2.140162458e-01 -2.140162458e-01 3.42 -1.118091891e-01 -1.118091891e-01 3.44 -1.934590744e-02 -1.934590744e-02 3.46 6.453221257e-02 6.453221257e-02 3.48 1.405953550e-01 1.405953550e-01 3.50 2.093223900e-01 2.093223900e-01 3.52 2.710322441e-01 2.710322441e-01 3.54 3.260013683e-01 3.260013683e-01 3.56 3.745451967e-01 3.745451967e-01 3.58 4.170513192e-01 4.170513192e-01 3.60 4.539782845e-01 4.539782845e-01 3.62 4.858491396e-01 4.858491396e-01 3.64 5.132455980e-01 5.132455980e-01 3.66 5.367918841e-01 5.367918841e-01 3.68 5.484118272e-01 5.484118272e-01 3.70 5.603910422e-01 5.603910422e-01 3.72 5.681469815e-01 5.681469815e-01 3.74 5.718750092e-01 5.718750092e-01 3.76 5.717487863e-01 5.717487863e-01 3.78 5.679190352e-01 5.679190352e-01 3.80 5.605123076e-01 5.605123076e-01 3.82 5.496300189e-01 5.496300189e-01 3.84 5.353478192e-01 5.353478192e-01 3.86 5.177240781e-01 5.177240781e-01 3.88 4.968875658e-01 4.968875658e-01 3.90 4.730419607e-01 4.730419607e-01 3.92 4.464360554e-01 4.464360554e-01 3.94 4.173243753e-01 4.173243753e-01 3.96 3.859225695e-01 3.859225695e-01 3.98 3.524601428e-01 3.524601428e-01 4.00 3.171875864e-01 3.171875864e-01 4.02 2.803761838e-01 2.803761838e-01 4.04 2.423182535e-01 2.423182535e-01 4.06 2.033273833e-01 2.033273833e-01 4.08 1.637374773e-01 1.637374773e-01 4.10 1.239032093e-01 1.239032093e-01 4.12 8.419893928e-02 8.419893928e-02 4.14 4.501762409e-02 4.501762409e-02 4.16 6.768698727e-03 6.768698727e-03 4.18 -3.012190055e-02 -3.012190055e-02 4.20 -6.521623406e-02 -6.521623406e-02 4.22 -9.808565707e-02 -9.808565707e-02 4.24 -1.282989462e-01 -1.282989462e-01 4.26 -1.554173071e-01 -1.554173071e-01 4.28 -1.790017156e-01 -1.790017156e-01 4.30 -1.986171660e-01 -1.986171660e-01 4.32 -2.137733546e-01 -2.137733546e-01 4.34 -2.233577847e-01 -2.233577847e-01 4.36 -2.269398655e-01 -2.269398655e-01 4.38 -2.247979724e-01 -2.247979724e-01 4.40 -2.174594555e-01 -2.174594555e-01 4.42 -2.053305470e-01 -2.053305470e-01 4.44 -1.884714255e-01 -1.884714255e-01 4.46 -1.665563725e-01 -1.665563725e-01 4.48 -1.390541288e-01 -1.390541288e-01 4.50 -1.056171194e-01 -1.056171194e-01 4.52 -6.663922566e-02 -6.663922566e-02 4.54 -2.376251261e-02 -2.376251261e-02 4.56 2.153009565e-02 2.153009565e-02 4.58 6.793244794e-02 6.793244794e-02 4.60 1.139910878e-01 1.139910878e-01 4.62 1.581880656e-01 1.581880656e-01 4.64 1.990205363e-01 1.990205363e-01 4.66 2.350838266e-01 2.350838266e-01 4.68 2.651550102e-01 2.651550102e-01 4.70 2.882759725e-01 2.882759725e-01 4.72 3.038083320e-01 3.038083320e-01 4.74 3.114629094e-01 3.114629094e-01 4.76 3.113031824e-01 3.113031824e-01 4.78 3.037237996e-01 3.037237996e-01 4.80 2.894087832e-01 2.894087832e-01 4.82 2.692785449e-01 2.692785449e-01 4.84 2.444103125e-01 2.444103125e-01 4.86 2.159605336e-01 2.159605336e-01 4.88 1.850874631e-01 1.850874631e-01 4.90 1.528826486e-01 1.528826486e-01 4.92 1.203164609e-01 1.203164609e-01 4.94 8.819779988e-02 8.819779988e-02 4.96 5.733400222e-02 5.733400222e-02 4.98 2.948441304e-02 2.948441304e-02 5.00 5.927850290e-03 5.927850290e-03 5.02 -1.284009708e-02 -1.284009708e-02 5.04 -2.689754975e-02 -2.689754975e-02 5.06 -3.669996655e-02 -3.669996655e-02 5.08 -4.293274386e-02 -4.293274386e-02 5.10 -4.639993469e-02 -4.639993469e-02 5.12 -4.793325671e-02 -4.793325671e-02 5.14 -4.831834885e-02 -4.831834885e-02 5.16 -4.823931009e-02 -4.823931009e-02 5.18 -4.824076774e-02 -4.824076774e-02 5.20 -5.412791314e-02 -5.412791314e-02 5.22 -5.718062432e-02 -5.718062432e-02 5.24 -6.031520290e-02 -6.031520290e-02 5.26 -6.283782389e-02 -6.283782389e-02 5.28 -6.404434654e-02 -6.404434654e-02 5.30 -6.337067195e-02 -6.337067195e-02 5.32 -6.050735568e-02 -6.050735568e-02 5.34 -5.545830233e-02 -5.545830233e-02 5.36 -4.853317988e-02 -4.853317988e-02 5.38 -4.028079387e-02 -4.028079387e-02 5.40 -3.138055126e-02 -3.138055126e-02 5.42 -2.252326747e-02 -2.252326747e-02 5.44 -1.430796230e-02 -1.430796230e-02 5.46 -7.177289382e-03 -7.177289382e-03 5.48 -1.393618059e-03 -1.393618059e-03 5.50 2.949288065e-03 2.949288065e-03 5.52 5.893398820e-03 5.893398820e-03 5.54 7.579747741e-03 7.579747741e-03 5.56 8.214595978e-03 8.214595978e-03 5.58 8.033338576e-03 8.033338576e-03 5.60 7.275609069e-03 7.275609069e-03 5.62 6.166737478e-03 6.166737478e-03 5.64 4.903453952e-03 4.903453952e-03 5.66 3.645050009e-03 3.645050009e-03 5.68 2.509389534e-03 2.509389534e-03 5.70 1.571542054e-03 1.571542054e-03 5.72 8.668976808e-04 8.668976808e-04 5.74 3.964175513e-04 3.964175513e-04 5.76 1.314842029e-04 1.314842029e-04 5.78 2.138805196e-05 2.138805196e-05 5.80 1.545508667e-07 1.545508667e-07 5.82 -6.836839042e-06 -6.836839042e-06 5.84 -7.631396099e-05 -7.631396099e-05 5.86 -2.853274068e-04 -2.853274068e-04 5.88 -7.104269606e-04 -7.104269606e-04 5.90 -1.428559184e-03 -1.428559184e-03 5.92 -2.515812935e-03 -2.515812935e-03 5.94 -4.047485324e-03 -4.047485324e-03 5.96 -6.097299833e-03 -6.097299833e-03 5.98 -8.736486541e-03 -8.736486541e-03 6.00 -5.944629143e-03 -5.647344855e-03