# 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 = CoCuNi2 # 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 -3.665820933e+02 -3.665820933e+02 1.06 -3.460688795e+02 -3.460688795e+02 1.08 -3.269369425e+02 -3.269369425e+02 1.10 -3.088950741e+02 -3.088950741e+02 1.12 -2.913010698e+02 -2.913010698e+02 1.14 -2.739610526e+02 -2.739610526e+02 1.16 -2.573245545e+02 -2.573245545e+02 1.18 -2.415786783e+02 -2.415786783e+02 1.20 -2.274120352e+02 -2.274120352e+02 1.22 -2.150167454e+02 -2.150167454e+02 1.24 -2.038254843e+02 -2.038254843e+02 1.26 -1.932211108e+02 -1.932211108e+02 1.28 -1.836005872e+02 -1.836005872e+02 1.30 -1.744247652e+02 -1.744247652e+02 1.32 -1.655617093e+02 -1.655617093e+02 1.34 -1.567576542e+02 -1.567576542e+02 1.36 -1.482785733e+02 -1.482785733e+02 1.38 -1.401585151e+02 -1.401585151e+02 1.40 -1.326799383e+02 -1.326799383e+02 1.42 -1.253944878e+02 -1.253944878e+02 1.44 -1.180484312e+02 -1.180484312e+02 1.46 -1.107629789e+02 -1.107629789e+02 1.48 -1.033030853e+02 -1.033030853e+02 1.50 -9.587252931e+01 -9.587252931e+01 1.52 -8.859722856e+01 -8.859722856e+01 1.54 -8.148365188e+01 -8.148365188e+01 1.56 -7.442831012e+01 -7.442831012e+01 1.58 -6.733732649e+01 -6.733732649e+01 1.60 -6.005746472e+01 -6.005746472e+01 1.62 -5.256327419e+01 -5.256327419e+01 1.64 -4.511113529e+01 -4.511113529e+01 1.66 -3.807777791e+01 -3.807777791e+01 1.68 -3.145679208e+01 -3.145679208e+01 1.70 -2.532237974e+01 -2.532237974e+01 1.72 -1.967505852e+01 -1.967505852e+01 1.74 -1.462605805e+01 -1.462605805e+01 1.76 -1.018096217e+01 -1.018096217e+01 1.78 -6.562262431e+00 -6.562262431e+00 1.80 -4.096458741e+00 -4.096458741e+00 1.82 -2.430495508e+00 -2.430495508e+00 1.84 -1.339657257e+00 -1.339657257e+00 1.86 -6.689858103e-01 -6.689858103e-01 1.88 -3.186758078e-01 -3.186758078e-01 1.90 -1.993093596e-01 -1.993093596e-01 1.92 -2.357857083e-01 -2.357857083e-01 1.94 -3.754931706e-01 -3.754931706e-01 1.96 -5.848278044e-01 -5.848278044e-01 1.98 -8.402556323e-01 -8.402556323e-01 2.00 -1.124861325e+00 -1.124861067e+00 2.02 -1.424827054e+00 -1.424827054e+00 2.04 -1.730993271e+00 -1.730993271e+00 2.06 -2.036902468e+00 -2.036902468e+00 2.08 -2.336078032e+00 -2.336078032e+00 2.10 -2.621457097e+00 -2.621457097e+00 2.12 -2.886371488e+00 -2.886371488e+00 2.14 -3.118692854e+00 -3.118692854e+00 2.16 -3.322460485e+00 -3.322460485e+00 2.18 -3.492232582e+00 -3.492232582e+00 2.20 -3.626409753e+00 -3.626409753e+00 2.22 -3.725435901e+00 -3.725435901e+00 2.24 -3.795845122e+00 -3.795845122e+00 2.26 -3.846473084e+00 -3.846473084e+00 2.28 -3.886023685e+00 -3.886023685e+00 2.30 -3.921438613e+00 -3.921438613e+00 2.32 -3.955255705e+00 -3.955255705e+00 2.34 -3.979303380e+00 -3.979303380e+00 2.36 -4.006575940e+00 -4.006575940e+00 2.38 -4.033435979e+00 -4.033435979e+00 2.40 -4.048098314e+00 -4.048098314e+00 2.42 -4.063723407e+00 -4.063723407e+00 2.44 -4.073439846e+00 -4.073439846e+00 2.46 -4.077396354e+00 -4.077396354e+00 2.48 -4.076093373e+00 -4.076093373e+00 2.50 -4.070115722e+00 -4.070115722e+00 2.52 -4.059520354e+00 -4.059520354e+00 2.54 -4.043914991e+00 -4.043914991e+00 2.56 -4.023200631e+00 -4.023200631e+00 2.58 -3.997439058e+00 -3.997439058e+00 2.60 -3.965439791e+00 -3.965439791e+00 2.62 -3.929551912e+00 -3.929551912e+00 2.64 -3.889570890e+00 -3.889570890e+00 2.66 -3.846036586e+00 -3.846036586e+00 2.68 -3.799279920e+00 -3.799279920e+00 2.70 -3.749505020e+00 -3.749505020e+00 2.72 -3.696879033e+00 -3.696879033e+00 2.74 -3.641566273e+00 -3.641566273e+00 2.76 -3.583808901e+00 -3.583808901e+00 2.78 -3.523990737e+00 -3.523990737e+00 2.80 -3.462633086e+00 -3.462633086e+00 2.82 -3.400242133e+00 -3.400242133e+00 2.84 -3.337184229e+00 -3.337184229e+00 2.86 -3.273439819e+00 -3.273439819e+00 2.88 -3.208508174e+00 -3.208508174e+00 2.90 -3.141945519e+00 -3.141945519e+00 2.92 -3.073671239e+00 -3.073671239e+00 2.94 -3.003547950e+00 -3.003547950e+00 2.96 -2.930998874e+00 -2.930998874e+00 2.98 -2.855593448e+00 -2.855593448e+00 3.00 -2.776700890e+00 -2.776700889e+00 3.02 -2.694396515e+00 -2.694396515e+00 3.04 -2.610109332e+00 -2.610109332e+00 3.06 -2.523870151e+00 -2.523870151e+00 3.08 -2.436156413e+00 -2.436156413e+00 3.10 -2.347292378e+00 -2.347292378e+00 3.12 -2.257624858e+00 -2.257624858e+00 3.14 -2.169298130e+00 -2.169298130e+00 3.16 -2.082768065e+00 -2.082768065e+00 3.18 -1.999517350e+00 -1.999517350e+00 3.20 -1.920314005e+00 -1.920314005e+00 3.22 -1.845478741e+00 -1.845478741e+00 3.24 -1.775012545e+00 -1.775012545e+00 3.26 -1.708657164e+00 -1.708657164e+00 3.28 -1.645953467e+00 -1.645953467e+00 3.30 -1.586315590e+00 -1.586315590e+00 3.32 -1.529117039e+00 -1.529117039e+00 3.34 -1.473775307e+00 -1.473775307e+00 3.36 -1.419856913e+00 -1.419856913e+00 3.38 -1.367116485e+00 -1.367116485e+00 3.40 -1.315486395e+00 -1.315486395e+00 3.42 -1.265090508e+00 -1.265090508e+00 3.44 -1.216127784e+00 -1.216127784e+00 3.46 -1.168799542e+00 -1.168799542e+00 3.48 -1.123260889e+00 -1.123260889e+00 3.50 -1.079591193e+00 -1.079591193e+00 3.52 -1.037784924e+00 -1.037784924e+00 3.54 -9.977596912e-01 -9.977596912e-01 3.56 -9.593752820e-01 -9.593752820e-01 3.58 -9.224605116e-01 -9.224605116e-01 3.60 -8.868321392e-01 -8.868321392e-01 3.62 -8.522987966e-01 -8.522987966e-01 3.64 -8.186672386e-01 -8.186672386e-01 3.66 -7.857727709e-01 -7.857727709e-01 3.68 -7.554226125e-01 -7.554226125e-01 3.70 -7.247605290e-01 -7.247605290e-01 3.72 -6.948159469e-01 -6.948159469e-01 3.74 -6.655064573e-01 -6.655064573e-01 3.76 -6.367493807e-01 -6.367493807e-01 3.78 -6.084616794e-01 -6.084616794e-01 3.80 -5.805600636e-01 -5.805600636e-01 3.82 -5.529609674e-01 -5.529609674e-01 3.84 -5.255807437e-01 -5.255807437e-01 3.86 -4.983437224e-01 -4.983437224e-01 3.88 -4.712427560e-01 -4.712427560e-01 3.90 -4.443086406e-01 -4.443086406e-01 3.92 -4.175763026e-01 -4.175763026e-01 3.94 -3.910816351e-01 -3.910816351e-01 3.96 -3.648583850e-01 -3.648583850e-01 3.98 -3.389422349e-01 -3.389422349e-01 4.00 -3.133709553e-01 -3.133709553e-01 4.02 -2.881844862e-01 -2.881844862e-01 4.04 -2.634735664e-01 -2.634735664e-01 4.06 -2.403861250e-01 -2.403861250e-01 4.08 -2.207226586e-01 -2.207226586e-01 4.10 -2.057778982e-01 -2.057778982e-01 4.12 -1.963317090e-01 -1.963317090e-01 4.14 -1.926759314e-01 -1.926759314e-01 4.16 -1.946506790e-01 -1.946506790e-01 4.18 -2.017093800e-01 -2.017093800e-01 4.20 -2.129810202e-01 -2.129810202e-01 4.22 -2.273586932e-01 -2.273586932e-01 4.24 -2.435406329e-01 -2.435406329e-01 4.26 -2.600885376e-01 -2.600885376e-01 4.28 -2.755029607e-01 -2.755029607e-01 4.30 -2.883010806e-01 -2.883010806e-01 4.32 -2.970995862e-01 -2.970995862e-01 4.34 -3.006973295e-01 -3.006973295e-01 4.36 -2.981564123e-01 -2.981564123e-01 4.38 -2.888788978e-01 -2.888788978e-01 4.40 -2.726721485e-01 -2.726721485e-01 4.42 -2.497974636e-01 -2.497974636e-01 4.44 -2.209924938e-01 -2.209924938e-01 4.46 -1.874597213e-01 -1.874597213e-01 4.48 -1.508113994e-01 -1.508113994e-01 4.50 -1.129646382e-01 -1.129646382e-01 4.52 -7.599500323e-02 -7.599500323e-02 4.54 -4.199110501e-02 -4.199110501e-02 4.56 -1.270898715e-02 -1.270898715e-02 4.58 1.069362895e-02 1.069362895e-02 4.60 2.777673444e-02 2.777673444e-02 4.62 3.888978945e-02 3.888978945e-02 4.64 4.559042921e-02 4.559042921e-02 4.66 5.001416628e-02 5.001416628e-02 4.68 5.427483017e-02 5.427483017e-02 4.70 6.020519438e-02 6.020519438e-02 4.72 6.918309455e-02 6.918309455e-02 4.74 8.206963506e-02 8.206963506e-02 4.76 9.924345128e-02 9.924345128e-02 4.78 1.206996740e-01 1.206996740e-01 4.80 1.461391354e-01 1.461391354e-01 4.82 1.750292136e-01 1.750292136e-01 4.84 2.066702334e-01 2.066702334e-01 4.86 2.402264624e-01 2.402264624e-01 4.88 2.747557470e-01 2.747557470e-01 4.90 3.092401380e-01 3.092401380e-01 4.92 3.426177331e-01 3.426177331e-01 4.94 3.738130320e-01 3.738130320e-01 4.96 4.017698764e-01 4.017698764e-01 4.98 4.254861089e-01 4.254861089e-01 5.00 4.440487733e-01 4.440487733e-01 5.02 4.566708942e-01 4.566708942e-01 5.04 4.627303917e-01 4.627303917e-01 5.06 4.618071153e-01 4.618071153e-01 5.08 4.537188760e-01 4.537188760e-01 5.10 4.385554329e-01 4.385554329e-01 5.12 4.167008343e-01 4.167008343e-01 5.14 3.888438250e-01 3.888438250e-01 5.16 3.559675977e-01 3.559675977e-01 5.18 3.193196182e-01 3.193196182e-01 5.20 2.779133945e-01 2.779133945e-01 5.22 2.373556473e-01 2.373556473e-01 5.24 1.976594188e-01 1.976594188e-01 5.26 1.604086231e-01 1.604086231e-01 5.28 1.268630345e-01 1.268630345e-01 5.30 9.787202146e-02 9.787202146e-02 5.32 7.383377163e-02 7.383377163e-02 5.34 5.470925443e-02 5.470925443e-02 5.36 4.009057855e-02 4.009057855e-02 5.38 2.931346343e-02 2.931346343e-02 5.40 2.158999436e-02 2.158999436e-02 5.42 1.613584080e-02 1.613584080e-02 5.44 1.226749399e-02 1.226749399e-02 5.46 9.454934608e-03 9.454934608e-03 5.48 7.330859790e-03 7.330859790e-03 5.50 5.667481384e-03 5.667481384e-03 5.52 4.337771460e-03 4.337771460e-03 5.54 3.272233706e-03 3.272233706e-03 5.56 2.422873163e-03 2.422873163e-03 5.58 1.755031892e-03 1.755031892e-03 5.60 1.239613428e-03 1.239613428e-03 5.62 8.504527338e-04 8.504527338e-04 5.64 5.636264554e-04 5.636264554e-04 5.66 3.579685291e-04 3.579685291e-04 5.68 2.152593380e-04 2.152593380e-04 5.70 1.202066943e-04 1.202066943e-04 5.72 6.034742840e-05 6.034742840e-05 5.74 2.560169882e-05 2.560169882e-05 5.76 8.013827226e-06 8.013827226e-06 5.78 1.250287225e-06 1.250287225e-06 5.80 2.491628018e-09 2.491628018e-09 5.82 -4.139753863e-07 -4.139753863e-07 5.84 -4.476620899e-06 -4.476620899e-06 5.86 -1.666020156e-05 -1.666020156e-05 5.88 -4.147059497e-05 -4.147059497e-05 5.90 -8.333436296e-05 -8.333436296e-05 5.92 -1.466038563e-04 -1.466038563e-04 5.94 -2.355565419e-04 -2.355565419e-04 5.96 -3.541998054e-04 -3.541998054e-04 5.98 -5.059889890e-04 -5.059889890e-04 6.00 -3.236610499e-04 -3.495135759e-04