# 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 = Cr2FeMn # 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 5.863259267e+02 5.863259267e+02 0.94 5.449246905e+02 5.449246905e+02 0.96 5.062904786e+02 5.062904786e+02 0.98 4.702453559e+02 4.702453559e+02 1.00 4.366224722e+02 4.366224722e+02 1.02 4.052653898e+02 4.052653898e+02 1.04 3.760274510e+02 3.760274510e+02 1.06 3.487711832e+02 3.487711832e+02 1.08 3.233677395e+02 3.233677395e+02 1.10 2.996963721e+02 2.996963721e+02 1.12 2.776439377e+02 2.776439377e+02 1.14 2.571044321e+02 2.571044321e+02 1.16 2.379785521e+02 2.379785521e+02 1.18 2.201732850e+02 2.201732850e+02 1.20 2.036015211e+02 2.036015211e+02 1.22 1.881816907e+02 1.881816907e+02 1.24 1.738374219e+02 1.738374219e+02 1.26 1.604972200e+02 1.604972200e+02 1.28 1.480941653e+02 1.480941653e+02 1.30 1.365656295e+02 1.365656295e+02 1.32 1.258530097e+02 1.258530097e+02 1.34 1.159014773e+02 1.159014773e+02 1.36 1.066597436e+02 1.066597436e+02 1.38 9.807983831e+01 9.807983831e+01 1.40 9.011690242e+01 9.011690242e+01 1.42 8.272899304e+01 8.272899304e+01 1.44 7.587690056e+01 7.587690056e+01 1.46 6.952397675e+01 6.952397675e+01 1.48 6.363597342e+01 6.363597342e+01 1.50 5.818089093e+01 5.818089093e+01 1.52 5.312883597e+01 5.312883597e+01 1.54 4.845188815e+01 4.845188815e+01 1.56 4.412397465e+01 4.412397465e+01 1.58 4.012075268e+01 4.012075268e+01 1.60 3.641949919e+01 3.641949919e+01 1.62 3.299900729e+01 3.299900729e+01 1.64 2.983948916e+01 2.983948916e+01 1.66 2.692248501e+01 2.692248501e+01 1.68 2.423077753e+01 2.423077753e+01 1.70 2.174831181e+01 2.174831181e+01 1.72 1.946012015e+01 1.946012015e+01 1.74 1.735225161e+01 1.735225161e+01 1.76 1.541170591e+01 1.541170591e+01 1.78 1.362637152e+01 1.362637152e+01 1.80 1.198496759e+01 1.198496759e+01 1.82 1.047698951e+01 1.047698951e+01 1.84 9.092657950e+00 9.092657950e+00 1.86 7.822871091e+00 7.822871091e+00 1.88 6.659159837e+00 6.659159837e+00 1.90 5.593645914e+00 5.593645914e+00 1.92 4.619002600e+00 4.619002600e+00 1.94 3.728417958e+00 3.728417958e+00 1.96 2.915560417e+00 2.915560417e+00 1.98 2.174546544e+00 2.174546544e+00 2.00 1.499910893e+00 1.499910893e+00 2.02 8.865777869e-01 8.865777869e-01 2.04 3.298349118e-01 3.298349118e-01 2.06 -1.746913718e-01 -1.746913718e-01 2.08 -6.310591237e-01 -6.310591237e-01 2.10 -1.043032417e+00 -1.043032417e+00 2.12 -1.414101522e+00 -1.414101522e+00 2.14 -1.747501767e+00 -1.747501767e+00 2.16 -2.046231146e+00 -2.046231146e+00 2.18 -2.313066867e+00 -2.313066867e+00 2.20 -2.550580564e+00 -2.550580564e+00 2.22 -2.761152809e+00 -2.761152809e+00 2.24 -2.946986429e+00 -2.946986429e+00 2.26 -3.110119022e+00 -3.110119022e+00 2.28 -3.252434624e+00 -3.252434624e+00 2.30 -3.375674575e+00 -3.375674575e+00 2.32 -3.481447666e+00 -3.481447666e+00 2.34 -3.571239585e+00 -3.571239585e+00 2.36 -3.646421717e+00 -3.646421717e+00 2.38 -3.708259348e+00 -3.708259348e+00 2.40 -3.757919293e+00 -3.757919293e+00 2.42 -3.796477000e+00 -3.796477000e+00 2.44 -3.824923160e+00 -3.824923160e+00 2.46 -3.844169845e+00 -3.844169845e+00 2.48 -3.855056228e+00 -3.855056228e+00 2.50 -3.858352258e+00 -3.858352258e+00 2.52 -3.854744102e+00 -3.854744102e+00 2.54 -3.844835033e+00 -3.844835033e+00 2.56 -3.829163800e+00 -3.829163800e+00 2.58 -3.808228767e+00 -3.808228767e+00 2.60 -3.782491903e+00 -3.782491903e+00 2.62 -3.752381035e+00 -3.752381035e+00 2.64 -3.718291940e+00 -3.718291940e+00 2.66 -3.680590299e+00 -3.680590299e+00 2.68 -3.639613517e+00 -3.639613517e+00 2.70 -3.595672420e+00 -3.595672420e+00 2.72 -3.549052119e+00 -3.549052119e+00 2.74 -3.500010946e+00 -3.500010946e+00 2.76 -3.448793774e+00 -3.448793774e+00 2.78 -3.395625640e+00 -3.395625640e+00 2.80 -3.340700568e+00 -3.340700568e+00 2.82 -3.284199832e+00 -3.284199832e+00 2.84 -3.226287372e+00 -3.226287372e+00 2.86 -3.167110889e+00 -3.167110889e+00 2.88 -3.106802918e+00 -3.106802918e+00 2.90 -3.045481914e+00 -3.045481914e+00 2.92 -2.983253377e+00 -2.983253377e+00 2.94 -2.920211032e+00 -2.920211032e+00 2.96 -2.856438099e+00 -2.856438099e+00 2.98 -2.792008693e+00 -2.792008693e+00 3.00 -2.726989378e+00 -2.726989378e+00 3.02 -2.661440911e+00 -2.661440911e+00 3.04 -2.595420203e+00 -2.595420203e+00 3.06 -2.528982529e+00 -2.528982529e+00 3.08 -2.462183977e+00 -2.462183977e+00 3.10 -2.395084137e+00 -2.395084137e+00 3.12 -2.327748980e+00 -2.327748980e+00 3.14 -2.260253848e+00 -2.260253848e+00 3.16 -2.192686431e+00 -2.192686431e+00 3.18 -2.125149542e+00 -2.125149542e+00 3.20 -2.057763482e+00 -2.057763482e+00 3.22 -1.990667694e+00 -1.990667694e+00 3.24 -1.924021438e+00 -1.924021438e+00 3.26 -1.858003173e+00 -1.858003173e+00 3.28 -1.792808417e+00 -1.792808417e+00 3.30 -1.728645939e+00 -1.728645939e+00 3.32 -1.665732264e+00 -1.665732264e+00 3.34 -1.604284707e+00 -1.604284707e+00 3.36 -1.544513283e+00 -1.544513283e+00 3.38 -1.486612097e+00 -1.486612097e+00 3.40 -1.430750882e+00 -1.430750882e+00 3.42 -1.377067473e+00 -1.377067473e+00 3.44 -1.325661905e+00 -1.325661905e+00 3.46 -1.276592697e+00 -1.276592697e+00 3.48 -1.229875662e+00 -1.229875662e+00 3.50 -1.185485301e+00 -1.185485301e+00 3.52 -1.143358560e+00 -1.143358560e+00 3.54 -1.103400514e+00 -1.103400514e+00 3.56 -1.065491381e+00 -1.065491381e+00 3.58 -1.029494188e+00 -1.029494188e+00 3.60 -9.952624347e-01 -9.952624347e-01 3.62 -9.626471951e-01 -9.626471951e-01 3.64 -9.315032131e-01 -9.315032131e-01 3.66 -9.016937189e-01 -9.016937189e-01 3.68 -8.730938467e-01 -8.730938467e-01 3.70 -8.455926748e-01 -8.455926748e-01 3.72 -8.190940206e-01 -8.190940206e-01 3.74 -7.935162038e-01 -7.935162038e-01 3.76 -7.687910294e-01 -7.687910294e-01 3.78 -7.448622546e-01 -7.448622546e-01 3.80 -7.216837851e-01 -7.216837851e-01 3.82 -6.991675456e-01 -6.991675456e-01 3.84 -6.729107278e-01 -6.729107278e-01 3.86 -6.229347289e-01 -6.229347289e-01 3.88 -5.285544930e-01 -5.285544930e-01 3.90 -4.551139555e-01 -4.551139555e-01 3.92 -4.406919268e-01 -4.406919268e-01 3.94 -4.267122222e-01 -4.267122222e-01 3.96 -4.131621226e-01 -4.131621226e-01 3.98 -4.000293212e-01 -4.000293212e-01 4.00 -3.873018527e-01 -3.873018527e-01 4.02 -3.749680540e-01 -3.749680540e-01 4.04 -3.630165434e-01 -3.630165434e-01 4.06 -3.514362097e-01 -3.514362097e-01 4.08 -3.402162068e-01 -3.402162068e-01 4.10 -3.293459496e-01 -3.293459496e-01 4.12 -3.188151126e-01 -3.188151126e-01 4.14 -3.086136267e-01 -3.086136267e-01 4.16 -2.987316772e-01 -2.987316772e-01 4.18 -2.891597008e-01 -2.891597008e-01 4.20 -2.798883829e-01 -2.798883829e-01 4.22 -2.709086541e-01 -2.709086541e-01 4.24 -2.622116867e-01 -2.622116867e-01 4.26 -2.537888909e-01 -2.537888909e-01 4.28 -2.456319112e-01 -2.456319112e-01 4.30 -2.377326220e-01 -2.377326220e-01 4.32 -2.300831233e-01 -2.300831233e-01 4.34 -2.226757367e-01 -2.226757367e-01 4.36 -2.155030011e-01 -2.155030011e-01 4.38 -2.085576676e-01 -2.085576676e-01 4.40 -2.018326957e-01 -2.018326957e-01 4.42 -1.947141186e-01 -1.947141186e-01 4.44 -1.797176899e-01 -1.797176899e-01 4.46 -1.396068071e-01 -1.396068071e-01 4.48 -6.341102936e-02 -6.341102936e-02 4.50 -6.195197984e-23 -6.158697457e-23 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 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