# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu # implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = Co2CrCu # 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 -2.069467333e+02 -2.069467333e+02 1.04 -2.009049542e+02 -2.009049542e+02 1.06 -1.946911800e+02 -1.946911800e+02 1.08 -1.887910575e+02 -1.887910575e+02 1.10 -1.828501354e+02 -1.828501354e+02 1.12 -1.761899695e+02 -1.761899695e+02 1.14 -1.688535887e+02 -1.688535887e+02 1.16 -1.611880984e+02 -1.611880984e+02 1.18 -1.539286532e+02 -1.539286532e+02 1.20 -1.479822864e+02 -1.479822864e+02 1.22 -1.434009574e+02 -1.434009574e+02 1.24 -1.394423051e+02 -1.394423051e+02 1.26 -1.356177405e+02 -1.356177405e+02 1.28 -1.320049197e+02 -1.320049197e+02 1.30 -1.285692338e+02 -1.285692338e+02 1.32 -1.249778445e+02 -1.249778445e+02 1.34 -1.209573971e+02 -1.209573971e+02 1.36 -1.167053612e+02 -1.167053612e+02 1.38 -1.126382086e+02 -1.126382086e+02 1.40 -1.088760937e+02 -1.088760937e+02 1.42 -1.051210959e+02 -1.051210959e+02 1.44 -1.010355374e+02 -1.010355374e+02 1.46 -9.647055301e+01 -9.647055301e+01 1.48 -9.149692169e+01 -9.149692169e+01 1.50 -8.630092542e+01 -8.630092542e+01 1.52 -8.106040959e+01 -8.106040959e+01 1.54 -7.584672729e+01 -7.584672729e+01 1.56 -7.053949582e+01 -7.053949582e+01 1.58 -6.487290491e+01 -6.487290491e+01 1.60 -5.863293930e+01 -5.863293930e+01 1.62 -5.188011119e+01 -5.188011119e+01 1.64 -4.494135239e+01 -4.494135239e+01 1.66 -3.818210569e+01 -3.818210569e+01 1.68 -3.181005630e+01 -3.181005630e+01 1.70 -2.588308815e+01 -2.588308815e+01 1.72 -2.044616753e+01 -2.044616753e+01 1.74 -1.556255768e+01 -1.556255768e+01 1.76 -1.125416986e+01 -1.125416986e+01 1.78 -7.556206501e+00 -7.556206501e+00 1.80 -4.772385959e+00 -4.772385959e+00 1.82 -2.823928005e+00 -2.823928005e+00 1.84 -1.492195063e+00 -1.492195063e+00 1.86 -6.500240367e-01 -6.500240367e-01 1.88 -1.885790818e-01 -1.885790818e-01 1.90 1.722975545e-04 1.722975545e-04 1.92 1.137186635e-02 1.137186635e-02 1.94 -8.980620164e-02 -8.980620164e-02 1.96 -2.670730870e-01 -2.670730870e-01 1.98 -4.991691965e-01 -4.991691965e-01 2.00 -7.715039269e-01 -7.715039269e-01 2.02 -1.072132948e+00 -1.072132948e+00 2.04 -1.389203086e+00 -1.389203086e+00 2.06 -1.712097435e+00 -1.712097435e+00 2.08 -2.030941344e+00 -2.030941344e+00 2.10 -2.335772256e+00 -2.335772256e+00 2.12 -2.617422837e+00 -2.617422837e+00 2.14 -2.869080332e+00 -2.869080332e+00 2.16 -3.086961182e+00 -3.086961182e+00 2.18 -3.269511938e+00 -3.269511938e+00 2.20 -3.416253062e+00 -3.416253062e+00 2.22 -3.529524401e+00 -3.529524401e+00 2.24 -3.615895332e+00 -3.615895332e+00 2.26 -3.682984025e+00 -3.682984025e+00 2.28 -3.737358236e+00 -3.737358236e+00 2.30 -3.784103105e+00 -3.784103105e+00 2.32 -3.825370173e+00 -3.825370173e+00 2.34 -3.862313224e+00 -3.862313224e+00 2.36 -3.896236231e+00 -3.896236231e+00 2.38 -3.928139513e+00 -3.928139513e+00 2.40 -3.957970520e+00 -3.957970520e+00 2.42 -3.984647995e+00 -3.984647995e+00 2.44 -4.006469637e+00 -4.006469637e+00 2.46 -4.022069257e+00 -4.022069257e+00 2.48 -4.030755208e+00 -4.030755208e+00 2.50 -4.033158552e+00 -4.033158552e+00 2.52 -4.029286249e+00 -4.029286249e+00 2.54 -4.018913694e+00 -4.018913694e+00 2.56 -4.002019125e+00 -4.002019125e+00 2.58 -3.978747899e+00 -3.978747899e+00 2.60 -3.949598414e+00 -3.949598414e+00 2.62 -3.915220361e+00 -3.915220361e+00 2.64 -3.876339637e+00 -3.876339637e+00 2.66 -3.833659811e+00 -3.833659811e+00 2.68 -3.787658104e+00 -3.787658104e+00 2.70 -3.738654410e+00 -3.738654410e+00 2.72 -3.686891080e+00 -3.686891080e+00 2.74 -3.632585690e+00 -3.632585690e+00 2.76 -3.576019513e+00 -3.576019513e+00 2.78 -3.517510420e+00 -3.517510420e+00 2.80 -3.457363155e+00 -3.457363155e+00 2.82 -3.395785224e+00 -3.395785224e+00 2.84 -3.332841682e+00 -3.332841682e+00 2.86 -3.268584284e+00 -3.268584284e+00 2.88 -3.202979332e+00 -3.202979332e+00 2.90 -3.135712294e+00 -3.135712294e+00 2.92 -3.066624639e+00 -3.066624639e+00 2.94 -2.995676320e+00 -2.995676320e+00 2.96 -2.922892472e+00 -2.922892472e+00 2.98 -2.848256313e+00 -2.848256313e+00 3.00 -2.771863998e+00 -2.771863998e+00 3.02 -2.693959672e+00 -2.693959672e+00 3.04 -2.615028470e+00 -2.615028470e+00 3.06 -2.535759535e+00 -2.535759535e+00 3.08 -2.456835457e+00 -2.456835457e+00 3.10 -2.378859429e+00 -2.378859429e+00 3.12 -2.302483302e+00 -2.302483302e+00 3.14 -2.228413542e+00 -2.228413542e+00 3.16 -2.157148070e+00 -2.157148070e+00 3.18 -2.089102134e+00 -2.089102134e+00 3.20 -2.024556002e+00 -2.024556002e+00 3.22 -1.963543249e+00 -1.963543249e+00 3.24 -1.905864000e+00 -1.905864000e+00 3.26 -1.851088734e+00 -1.851088734e+00 3.28 -1.798585704e+00 -1.798585704e+00 3.30 -1.747592393e+00 -1.747592393e+00 3.32 -1.697324908e+00 -1.697324908e+00 3.34 -1.647104485e+00 -1.647104485e+00 3.36 -1.596508200e+00 -1.596508200e+00 3.38 -1.545433604e+00 -1.545433604e+00 3.40 -1.494065095e+00 -1.494065095e+00 3.42 -1.442826411e+00 -1.442826411e+00 3.44 -1.392245888e+00 -1.392245888e+00 3.46 -1.342842087e+00 -1.342842087e+00 3.48 -1.295040133e+00 -1.295040133e+00 3.50 -1.249124450e+00 -1.249124450e+00 3.52 -1.205227233e+00 -1.205227233e+00 3.54 -1.163345048e+00 -1.163345048e+00 3.56 -1.123373221e+00 -1.123373221e+00 3.58 -1.085181858e+00 -1.085181858e+00 3.60 -1.048675179e+00 -1.048675179e+00 3.62 -1.013751773e+00 -1.013751773e+00 3.64 -9.803032681e-01 -9.803032681e-01 3.66 -9.482379172e-01 -9.482379172e-01 3.68 -9.174663654e-01 -9.174663654e-01 3.70 -8.878920460e-01 -8.878920460e-01 3.72 -8.594115085e-01 -8.594115085e-01 3.74 -8.319150714e-01 -8.319150714e-01 3.76 -8.052870515e-01 -8.052870515e-01 3.78 -7.794057928e-01 -7.794057928e-01 3.80 -7.541437209e-01 -7.541437209e-01 3.82 -7.293669638e-01 -7.293669638e-01 3.84 -7.049350693e-01 -7.049350693e-01 3.86 -6.807093716e-01 -6.807093716e-01 3.88 -6.566233954e-01 -6.566233954e-01 3.90 -6.326488362e-01 -6.326488362e-01 3.92 -6.087566445e-01 -6.087566445e-01 3.94 -5.849177551e-01 -5.849177551e-01 3.96 -5.611055083e-01 -5.611055083e-01 3.98 -5.372949393e-01 -5.372949393e-01 4.00 -5.134632105e-01 -5.134632105e-01 4.02 -4.895899458e-01 -4.895899458e-01 4.04 -4.656578101e-01 -4.656578101e-01 4.06 -4.416527108e-01 -4.416527108e-01 4.08 -4.175645183e-01 -4.175645183e-01 4.10 -3.933871639e-01 -3.933871639e-01 4.12 -3.691192289e-01 -3.691192289e-01 4.14 -3.447544357e-01 -3.447544357e-01 4.16 -3.202762917e-01 -3.202762917e-01 4.18 -2.956727380e-01 -2.956727380e-01 4.20 -2.709448780e-01 -2.709448780e-01 4.22 -2.461399294e-01 -2.461399294e-01 4.24 -2.213248025e-01 -2.213248025e-01 4.26 -1.965731662e-01 -1.965731662e-01 4.28 -1.719653865e-01 -1.719653865e-01 4.30 -1.475883941e-01 -1.475883941e-01 4.32 -1.235345000e-01 -1.235345000e-01 4.34 -9.989254115e-02 -9.989254115e-02 4.36 -7.676444232e-02 -7.676444232e-02 4.38 -5.479896220e-02 -5.479896220e-02 4.40 -3.660240812e-02 -3.660240812e-02 4.42 -2.451164963e-02 -2.451164963e-02 4.44 -1.997818682e-02 -1.997818682e-02 4.46 -2.360899487e-02 -2.360899487e-02 4.48 -3.524697389e-02 -3.524697389e-02 4.50 -5.408910268e-02 -5.408910268e-02 4.52 -7.884670261e-02 -7.884670261e-02 4.54 -1.080482001e-01 -1.080482001e-01 4.56 -1.403095358e-01 -1.403095358e-01 4.58 -1.744366072e-01 -1.744366072e-01 4.60 -2.095156070e-01 -2.095156070e-01 4.62 -2.449652713e-01 -2.449652713e-01 4.64 -2.805412910e-01 -2.805412910e-01 4.66 -3.162955096e-01 -3.162955096e-01 4.68 -3.524936174e-01 -3.524936174e-01 4.70 -3.895040645e-01 -3.895040645e-01 4.72 -4.276694864e-01 -4.276694864e-01 4.74 -4.671813074e-01 -4.671813074e-01 4.76 -5.079697616e-01 -5.079697616e-01 4.78 -5.496186340e-01 -5.496186340e-01 4.80 -5.913454277e-01 -5.913454277e-01 4.82 -6.320390669e-01 -6.320390669e-01 4.84 -6.703344386e-01 -6.703344386e-01 4.86 -7.047218958e-01 -7.047218958e-01 4.88 -7.336785338e-01 -7.336785338e-01 4.90 -7.557958183e-01 -7.557958183e-01 4.92 -7.698891258e-01 -7.698891258e-01 4.94 -7.750752569e-01 -7.750752569e-01 4.96 -7.708232836e-01 -7.708232836e-01 4.98 -7.569678280e-01 -7.569678280e-01 5.00 -7.336930725e-01 -7.336930725e-01 5.02 -7.014984721e-01 -7.014984721e-01 5.04 -6.611401900e-01 -6.611401900e-01 5.06 -6.134416437e-01 -6.134416437e-01 5.08 -5.593630850e-01 -5.593630850e-01 5.10 -5.000985378e-01 -5.000985378e-01 5.12 -4.370602423e-01 -4.370602423e-01 5.14 -3.718481531e-01 -3.718481531e-01 5.16 -3.062045624e-01 -3.062045624e-01 5.18 -2.419501157e-01 -2.419501157e-01 5.20 -1.809007087e-01 -1.809007087e-01 5.22 -1.247819257e-01 -1.247819257e-01 5.24 -7.514992401e-02 -7.514992401e-02 5.26 -3.319824339e-02 -3.319824339e-02 5.28 3.595319100e-04 3.595319100e-04 5.30 2.533960570e-02 2.533960570e-02 5.32 4.209124314e-02 4.209124314e-02 5.34 5.144251981e-02 5.144251981e-02 5.36 5.459223214e-02 5.459223214e-02 5.38 5.296044923e-02 5.296044923e-02 5.40 4.802236300e-02 4.802236300e-02 5.42 4.115362332e-02 4.115362332e-02 5.44 3.351342489e-02 3.351342489e-02 5.46 2.598030359e-02 2.598030359e-02 5.48 1.914184437e-02 1.914184437e-02 5.50 1.332618713e-02 1.332618713e-02 5.52 8.657163811e-03 8.657163811e-03 5.54 5.113336244e-03 5.113336244e-03 5.56 2.579467630e-03 2.579467630e-03 5.58 8.941134527e-04 8.941134527e-04 5.60 -1.195873040e-04 -1.195873040e-04 5.62 -6.337546479e-04 -6.337546479e-04 5.64 -8.034884240e-04 -8.034884240e-04 5.66 -7.596974533e-04 -7.596974533e-04 5.68 -6.059885161e-04 -6.059885161e-04 5.70 -4.183330275e-04 -4.183330275e-04 5.72 -2.467101360e-04 -2.467101360e-04 5.74 -1.180917604e-04 -1.180917604e-04 5.76 -4.035553338e-05 -4.035553338e-05 5.78 -6.667382558e-06 -6.667382558e-06 5.80 -3.925662804e-08 -3.925662804e-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