# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = CoMnNi2 # 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 3.806837295e+02 3.806837295e+02 0.94 3.566317186e+02 3.566317186e+02 0.96 3.338914562e+02 3.338914562e+02 0.98 3.123998314e+02 3.123998314e+02 1.00 2.920977393e+02 2.920977393e+02 1.02 2.729295658e+02 2.729295658e+02 1.04 2.548427149e+02 2.548427149e+02 1.06 2.377871886e+02 2.377871886e+02 1.08 2.217152227e+02 2.217152227e+02 1.10 2.065809834e+02 2.065809834e+02 1.12 1.923403222e+02 1.923403222e+02 1.14 1.789505882e+02 1.789505882e+02 1.16 1.663704908e+02 1.663704908e+02 1.18 1.545600078e+02 1.545600078e+02 1.20 1.434803300e+02 1.434803300e+02 1.22 1.330938351e+02 1.330938351e+02 1.24 1.233640836e+02 1.233640836e+02 1.26 1.142558293e+02 1.142558293e+02 1.28 1.057350382e+02 1.057350382e+02 1.30 9.776891123e+01 9.776891123e+01 1.32 9.032590572e+01 9.032590572e+01 1.34 8.337575407e+01 8.337575407e+01 1.36 7.688947621e+01 7.688947621e+01 1.38 7.083938523e+01 7.083938523e+01 1.40 6.519908552e+01 6.519908552e+01 1.42 5.994346326e+01 5.994346326e+01 1.44 5.504866963e+01 5.504866963e+01 1.46 5.049209737e+01 5.049209737e+01 1.48 4.625235150e+01 4.625235150e+01 1.50 4.230921498e+01 4.230921498e+01 1.52 3.864361040e+01 3.864361040e+01 1.54 3.523755842e+01 3.523755842e+01 1.56 3.207413388e+01 3.207413388e+01 1.58 2.913742033e+01 2.913742033e+01 1.60 2.641246377e+01 2.641246377e+01 1.62 2.388522592e+01 2.388522592e+01 1.64 2.154253789e+01 2.154253789e+01 1.66 1.937205434e+01 1.937205434e+01 1.68 1.736220868e+01 1.736220868e+01 1.70 1.550216951e+01 1.550216951e+01 1.72 1.378179844e+01 1.378179844e+01 1.74 1.219160957e+01 1.219160957e+01 1.76 1.072273061e+01 1.072273061e+01 1.78 9.366865832e+00 9.366865832e+00 1.80 8.116260694e+00 8.116260694e+00 1.82 6.963668372e+00 6.963668372e+00 1.84 5.902317996e+00 5.902317996e+00 1.86 4.925884654e+00 4.925884654e+00 1.88 4.028461083e+00 4.028461083e+00 1.90 3.204531006e+00 3.204531006e+00 1.92 2.448944037e+00 2.448944037e+00 1.94 1.756892105e+00 1.756892105e+00 1.96 1.123887310e+00 1.123887310e+00 1.98 5.457411494e-01 5.457411494e-01 2.00 1.854504176e-02 1.854504176e-02 2.02 -4.613479199e-01 -4.613479199e-01 2.04 -8.973400632e-01 -8.973400632e-01 2.06 -1.292605136e+00 -1.292605136e+00 2.08 -1.650103279e+00 -1.650103279e+00 2.10 -1.972595042e+00 -1.972595042e+00 2.12 -2.262654480e+00 -2.262654480e+00 2.14 -2.522681416e+00 -2.522681416e+00 2.16 -2.754912899e+00 -2.754912899e+00 2.18 -2.961433918e+00 -2.961433918e+00 2.20 -3.144187417e+00 -3.144187417e+00 2.22 -3.304983660e+00 -3.304983660e+00 2.24 -3.445508986e+00 -3.445508986e+00 2.26 -3.567333985e+00 -3.567333985e+00 2.28 -3.671921147e+00 -3.671921147e+00 2.30 -3.760632011e+00 -3.760632011e+00 2.32 -3.834733842e+00 -3.834733842e+00 2.34 -3.895405876e+00 -3.895405876e+00 2.36 -3.943745157e+00 -3.943745157e+00 2.38 -3.980771986e+00 -3.980771986e+00 2.40 -4.007435026e+00 -4.007435026e+00 2.42 -4.024616063e+00 -4.024616063e+00 2.44 -4.033134459e+00 -4.033134459e+00 2.46 -4.033751314e+00 -4.033751314e+00 2.48 -4.027173360e+00 -4.027173360e+00 2.50 -4.014056592e+00 -4.014056592e+00 2.52 -3.995009672e+00 -3.995009672e+00 2.54 -3.970597100e+00 -3.970597100e+00 2.56 -3.941342186e+00 -3.941342186e+00 2.58 -3.907729824e+00 -3.907729824e+00 2.60 -3.870209084e+00 -3.870209084e+00 2.62 -3.829195635e+00 -3.829195635e+00 2.64 -3.785074011e+00 -3.785074011e+00 2.66 -3.738199726e+00 -3.738199726e+00 2.68 -3.688901251e+00 -3.688901251e+00 2.70 -3.637481861e+00 -3.637481861e+00 2.72 -3.584221363e+00 -3.584221363e+00 2.74 -3.529377707e+00 -3.529377707e+00 2.76 -3.473188494e+00 -3.473188494e+00 2.78 -3.415872380e+00 -3.415872380e+00 2.80 -3.357630396e+00 -3.357630396e+00 2.82 -3.298647170e+00 -3.298647170e+00 2.84 -3.239092078e+00 -3.239092078e+00 2.86 -3.179120312e+00 -3.179120312e+00 2.88 -3.118873879e+00 -3.118873879e+00 2.90 -3.058482538e+00 -3.058482538e+00 2.92 -2.998064666e+00 -2.998064666e+00 2.94 -2.937728075e+00 -2.937728075e+00 2.96 -2.877570769e+00 -2.877570769e+00 2.98 -2.817681654e+00 -2.817681654e+00 3.00 -2.758141195e+00 -2.758141195e+00 3.02 -2.699022036e+00 -2.699022036e+00 3.04 -2.640389572e+00 -2.640389572e+00 3.06 -2.582302487e+00 -2.582302487e+00 3.08 -2.524813251e+00 -2.524813251e+00 3.10 -2.467968590e+00 -2.467968590e+00 3.12 -2.411809916e+00 -2.411809916e+00 3.14 -2.356373732e+00 -2.356373732e+00 3.16 -2.301692015e+00 -2.301692015e+00 3.18 -2.247792556e+00 -2.247792556e+00 3.20 -2.194699296e+00 -2.194699296e+00 3.22 -2.142432628e+00 -2.142432628e+00 3.24 -2.091009679e+00 -2.091009679e+00 3.26 -2.040444572e+00 -2.040444572e+00 3.28 -1.990748675e+00 -1.990748675e+00 3.30 -1.941930827e+00 -1.941930827e+00 3.32 -1.893997550e+00 -1.893997550e+00 3.34 -1.846953246e+00 -1.846953246e+00 3.36 -1.800800378e+00 -1.800800378e+00 3.38 -1.755539645e+00 -1.755539645e+00 3.40 -1.711170134e+00 -1.711170134e+00 3.42 -1.667689471e+00 -1.667689471e+00 3.44 -1.625093953e+00 -1.625093953e+00 3.46 -1.583378676e+00 -1.583378676e+00 3.48 -1.542537651e+00 -1.542537651e+00 3.50 -1.502563914e+00 -1.502563914e+00 3.52 -1.463449622e+00 -1.463449622e+00 3.54 -1.425186150e+00 -1.425186150e+00 3.56 -1.387764172e+00 -1.387764172e+00 3.58 -1.351173746e+00 -1.351173746e+00 3.60 -1.315404382e+00 -1.315404382e+00 3.62 -1.280445109e+00 -1.280445109e+00 3.64 -1.246284542e+00 -1.246284542e+00 3.66 -1.212910937e+00 -1.212910937e+00 3.68 -1.180312242e+00 -1.180312242e+00 3.70 -1.148476146e+00 -1.148476146e+00 3.72 -1.117390127e+00 -1.117390127e+00 3.74 -1.087041489e+00 -1.087041489e+00 3.76 -1.057417400e+00 -1.057417400e+00 3.78 -1.028504931e+00 -1.028504931e+00 3.80 -1.000291081e+00 -1.000291081e+00 3.82 -9.727632740e-01 -9.727632740e-01 3.84 -9.459555242e-01 -9.459555242e-01 3.86 -9.194264592e-01 -9.194264592e-01 3.88 -8.866914603e-01 -8.866914603e-01 3.90 -8.503920926e-01 -8.503920926e-01 3.92 -8.272915797e-01 -8.272915797e-01 3.94 -8.047462657e-01 -8.047462657e-01 3.96 -7.827452957e-01 -7.827452957e-01 3.98 -7.612778819e-01 -7.612778819e-01 4.00 -7.403333153e-01 -7.403333153e-01 4.02 -7.199009753e-01 -7.199009753e-01 4.04 -6.999703389e-01 -6.999703389e-01 4.06 -6.805309891e-01 -6.805309891e-01 4.08 -6.615726215e-01 -6.615726215e-01 4.10 -6.430850515e-01 -6.430850515e-01 4.12 -6.250582194e-01 -6.250582194e-01 4.14 -6.074821957e-01 -6.074821957e-01 4.16 -5.903471854e-01 -5.903471854e-01 4.18 -5.736435318e-01 -5.736435318e-01 4.20 -5.573617198e-01 -5.573617198e-01 4.22 -5.414923785e-01 -5.414923785e-01 4.24 -5.260262836e-01 -5.260262836e-01 4.26 -5.109543593e-01 -5.109543593e-01 4.28 -4.962676797e-01 -4.962676797e-01 4.30 -4.819574696e-01 -4.819574696e-01 4.32 -4.680151059e-01 -4.680151059e-01 4.34 -4.544321176e-01 -4.544321176e-01 4.36 -4.412001861e-01 -4.412001861e-01 4.38 -4.283111451e-01 -4.283111451e-01 4.40 -4.157569806e-01 -4.157569806e-01 4.42 -4.029436769e-01 -4.029436769e-01 4.44 -3.824319714e-01 -3.824319714e-01 4.46 -3.321225374e-01 -3.321225374e-01 4.48 -2.039389435e-01 -2.039389435e-01 4.50 -3.380138645e-22 -3.379718085e-22 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 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