# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = CoCrMn2 # 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 2025-07-01 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 nan nan 1.06 nan nan 1.08 2.190398685e+02 2.190398685e+02 1.10 2.018426505e+02 2.018426505e+02 1.12 1.858227316e+02 1.858227316e+02 1.14 1.710417781e+02 1.710417781e+02 1.16 1.575858246e+02 1.575858246e+02 1.18 1.451403662e+02 1.451403662e+02 1.20 1.339645136e+02 1.339645136e+02 1.22 1.233807808e+02 1.233807808e+02 1.24 1.135548604e+02 1.135548604e+02 1.26 1.046248975e+02 1.046249010e+02 1.28 9.634777603e+01 9.634777603e+01 1.30 8.871053641e+01 8.871053641e+01 1.32 8.155805121e+01 8.155805121e+01 1.34 7.515010924e+01 7.515010924e+01 1.36 6.902472211e+01 6.902472211e+01 1.38 6.338143802e+01 6.338143802e+01 1.40 5.814874194e+01 5.814874194e+01 1.42 5.331110780e+01 5.331110780e+01 1.44 4.902769212e+01 4.902769212e+01 1.46 4.501003866e+01 4.501003866e+01 1.48 4.114696840e+01 4.114696840e+01 1.50 3.757414616e+01 3.757414616e+01 1.52 3.433835957e+01 3.433835957e+01 1.54 3.140712862e+01 3.140712862e+01 1.56 2.855820924e+01 2.855820924e+01 1.58 2.594672687e+01 2.594672687e+01 1.60 2.350771104e+01 2.350771104e+01 1.62 2.125237572e+01 2.125237572e+01 1.64 1.916713015e+01 1.916713015e+01 1.66 1.730570683e+01 1.730570683e+01 1.68 1.558305321e+01 1.558305321e+01 1.70 1.392427714e+01 1.392427714e+01 1.72 1.239226282e+01 1.239226282e+01 1.74 1.104443204e+01 1.104443204e+01 1.76 9.732611396e+00 9.732611396e+00 1.78 8.522550877e+00 8.522550877e+00 1.80 7.406902506e+00 7.406902506e+00 1.82 6.467917086e+00 6.467917086e+00 1.84 5.513076883e+00 5.513076883e+00 1.86 4.767057879e+00 4.767057879e+00 1.88 3.947243987e+00 3.947243987e+00 1.90 3.194142964e+00 3.194142964e+00 1.92 2.502946497e+00 2.502946497e+00 1.94 1.903328772e+00 1.903328772e+00 1.96 1.319940859e+00 1.319940859e+00 1.98 7.862654364e-01 7.862654364e-01 2.00 2.987116504e-01 2.987116504e-01 2.02 -1.460559549e-01 -1.460559549e-01 2.04 -5.511364585e-01 -5.511364585e-01 2.06 -9.194100502e-01 -9.194100502e-01 2.08 -1.253554123e+00 -1.253554123e+00 2.10 -1.496290599e+00 -1.496290683e+00 2.12 -1.741662606e+00 -1.741662606e+00 2.14 -1.994616222e+00 -1.994616222e+00 2.16 -2.221852261e+00 -2.221852261e+00 2.18 -2.425277702e+00 -2.425277702e+00 2.20 -2.606666693e+00 -2.606666693e+00 2.22 -2.767669960e+00 -2.767669960e+00 2.24 -2.841521773e+00 -2.841521773e+00 2.26 -2.971377925e+00 -2.971377925e+00 2.28 -3.084760891e+00 -3.084760891e+00 2.30 -3.182936971e+00 -3.182936971e+00 2.32 -3.267084495e+00 -3.267084495e+00 2.34 -3.338299911e+00 -3.338299911e+00 2.36 -3.397603436e+00 -3.397603436e+00 2.38 -3.445944298e+00 -3.445944298e+00 2.40 -3.484205609e+00 -3.484205609e+00 2.42 -3.513208883e+00 -3.513208883e+00 2.44 -3.462021468e+00 -3.462021468e+00 2.46 -3.479673203e+00 -3.479673203e+00 2.48 -3.489865280e+00 -3.489865280e+00 2.50 -3.493234939e+00 -3.493234939e+00 2.52 -3.423032435e+00 -3.423032435e+00 2.54 -3.419002451e+00 -3.419002451e+00 2.56 -3.409503569e+00 -3.409503569e+00 2.58 -3.395030909e+00 -3.395030909e+00 2.60 -3.376044360e+00 -3.376044360e+00 2.62 -3.352970944e+00 -3.352970944e+00 2.64 -3.326207022e+00 -3.326207022e+00 2.66 -3.296120352e+00 -3.296120352e+00 2.68 -3.263052012e+00 -3.263052012e+00 2.70 -3.227318190e+00 -3.227318190e+00 2.72 -3.189211853e+00 -3.189211853e+00 2.74 -3.131741548e+00 -3.131741548e+00 2.76 -3.090748541e+00 -3.090748541e+00 2.78 -3.048072283e+00 -3.048072283e+00 2.80 -3.003931470e+00 -3.003931470e+00 2.82 -2.958528173e+00 -2.958528173e+00 2.84 -2.912048959e+00 -2.912048959e+00 2.86 -2.864665943e+00 -2.864665943e+00 2.88 -2.816537765e+00 -2.816537765e+00 2.90 -2.767810503e+00 -2.767810503e+00 2.92 -2.718618531e+00 -2.718618531e+00 2.94 -2.669085318e+00 -2.669085318e+00 2.96 -2.619324169e+00 -2.619324169e+00 2.98 -2.569438931e+00 -2.569438931e+00 3.00 -2.519524637e+00 -2.519524637e+00 3.02 -2.469668121e+00 -2.469668121e+00 3.04 -2.419948582e+00 -2.419948582e+00 3.06 -2.370438120e+00 -2.370438120e+00 3.08 -2.321202235e+00 -2.321202235e+00 3.10 -2.272300283e+00 -2.272300283e+00 3.12 -2.223785921e+00 -2.223785921e+00 3.14 -2.175707506e+00 -2.175707506e+00 3.16 -2.104857595e+00 -2.104857595e+00 3.18 -2.059024082e+00 -2.059024082e+00 3.20 -2.013676796e+00 -2.013676796e+00 3.22 -1.968849987e+00 -1.968849987e+00 3.24 -1.924574083e+00 -1.924574083e+00 3.26 -1.880875971e+00 -1.880875971e+00 3.28 -1.837779255e+00 -1.837779255e+00 3.30 -1.725810688e+00 -1.725810688e+00 3.32 -1.687545409e+00 -1.687545409e+00 3.34 -1.649752313e+00 -1.649752313e+00 3.36 -1.612453439e+00 -1.612453439e+00 3.38 -1.575668144e+00 -1.575668144e+00 3.40 -1.539413307e+00 -1.539413307e+00 3.42 -1.503703501e+00 -1.503703501e+00 3.44 -1.468551175e+00 -1.468551175e+00 3.46 -1.433966805e+00 -1.433966805e+00 3.48 -1.399959050e+00 -1.399959050e+00 3.50 -1.366534889e+00 -1.366534889e+00 3.52 -1.333699754e+00 -1.333699754e+00 3.54 -1.301457649e+00 -1.301457649e+00 3.56 -1.269811267e+00 -1.269811267e+00 3.58 -1.238762096e+00 -1.238762096e+00 3.60 -1.208310519e+00 -1.208310519e+00 3.62 -1.178455905e+00 -1.178455905e+00 3.64 -1.149196699e+00 -1.149196699e+00 3.66 -1.120530500e+00 -1.120530500e+00 3.68 -1.092454138e+00 -1.092454138e+00 3.70 -1.064963745e+00 -1.064963745e+00 3.72 -1.038054817e+00 -1.038054817e+00 3.74 -1.011722280e+00 -1.011722280e+00 3.76 -9.859605433e-01 -9.859605433e-01 3.78 -9.607635525e-01 -9.607635525e-01 3.80 -9.361248398e-01 -9.361248398e-01 3.82 -9.120375694e-01 -9.120375694e-01 3.84 -8.884945791e-01 -8.884945791e-01 3.86 -8.297821032e-01 -8.297821032e-01 3.88 -8.088763659e-01 -8.088763659e-01 3.90 -7.884229574e-01 -7.884229574e-01 3.92 -7.684167749e-01 -7.684167749e-01 3.94 -7.488524305e-01 -7.488524305e-01 3.96 -7.297242841e-01 -7.297242841e-01 3.98 -7.110264726e-01 -7.110264726e-01 4.00 -6.927529377e-01 -6.927529377e-01 4.02 -6.748974519e-01 -6.748974519e-01 4.04 -6.574536422e-01 -6.574536422e-01 4.06 -6.404150119e-01 -6.404150119e-01 4.08 -6.237749616e-01 -6.237749616e-01 4.10 -6.075268077e-01 -6.075268077e-01 4.12 -5.916638004e-01 -5.916638004e-01 4.14 -5.761791393e-01 -5.761791393e-01 4.16 -5.610659885e-01 -5.610659885e-01 4.18 -5.463174908e-01 -5.463174908e-01 4.20 -5.319267794e-01 -5.319267794e-01 4.22 -5.178869906e-01 -5.178869906e-01 4.24 -5.041912735e-01 -5.041912735e-01 4.26 -4.908328003e-01 -4.908328003e-01 4.28 -4.778047747e-01 -4.778047747e-01 4.30 -4.651004407e-01 -4.651004407e-01 4.32 -4.527130895e-01 -4.527130895e-01 4.34 -4.406360660e-01 -4.406360660e-01 4.36 -4.288627754e-01 -4.288627754e-01 4.38 -4.173866884e-01 -4.173866884e-01 4.40 -4.062013460e-01 -4.062013460e-01 4.42 -3.953003639e-01 -3.953003639e-01 4.44 -3.846774366e-01 -3.846774366e-01 4.46 -3.743263407e-01 -3.743263407e-01 4.48 -3.642409381e-01 -3.642409381e-01 4.50 -3.544151783e-01 -3.544151783e-01 4.52 -3.448431011e-01 -3.448431011e-01 4.54 -3.355188383e-01 -3.355188383e-01 4.56 -3.264366156e-01 -3.264366156e-01 4.58 -3.175907538e-01 -3.175907538e-01 4.60 -3.089756697e-01 -3.089756697e-01 4.62 -3.005858776e-01 -3.005858776e-01 4.64 -2.924159892e-01 -2.924159892e-01 4.66 -2.844607146e-01 -2.844607146e-01 4.68 -2.767148621e-01 -2.767148621e-01 4.70 -2.691733388e-01 -2.691733388e-01 4.72 -2.618311498e-01 -2.618311498e-01 4.74 -2.546833987e-01 -2.546833987e-01 4.76 -2.477252867e-01 -2.477252867e-01 4.78 -2.409521122e-01 -2.409521122e-01 4.80 -2.343592704e-01 -2.343592704e-01 4.82 -2.279422525e-01 -2.279422525e-01 4.84 -2.216966446e-01 -2.216966446e-01 4.86 -2.156181272e-01 -2.156181272e-01 4.88 -2.097024740e-01 -2.097024740e-01 4.90 -2.039455511e-01 -2.039455511e-01 4.92 -1.983433155e-01 -1.983433155e-01 4.94 -1.928918145e-01 -1.928918145e-01 4.96 -1.875871839e-01 -1.875871839e-01 4.98 -1.824256473e-01 -1.824256473e-01 5.00 -1.774035145e-01 -1.774035145e-01 5.02 -1.725171803e-01 -1.725171803e-01 5.04 -1.677631231e-01 -1.677631231e-01 5.06 -1.631379038e-01 -1.631379038e-01 5.08 -1.586381641e-01 -1.586381641e-01 5.10 -1.542606252e-01 -1.542606252e-01 5.12 -1.500020866e-01 -1.500020866e-01 5.14 -1.458594244e-01 -1.458594244e-01 5.16 -1.418295903e-01 -1.418295903e-01 5.18 -1.379096096e-01 -1.379096096e-01 5.20 -1.340965803e-01 -1.340965803e-01 5.22 -1.303876716e-01 -1.303876716e-01 5.24 -1.267801221e-01 -1.267801221e-01 5.26 -1.232712391e-01 -1.232712391e-01 5.28 -1.198583964e-01 -1.198583964e-01 5.30 -1.165390337e-01 -1.165390337e-01 5.32 -1.133106545e-01 -1.133106545e-01 5.34 -1.101708254e-01 -1.101708254e-01 5.36 -1.071171743e-01 -1.071171743e-01 5.38 -1.041473891e-01 -1.041473891e-01 5.40 -1.012592169e-01 -1.012592169e-01 5.42 -9.845046175e-02 -9.845046175e-02 5.44 -9.571898433e-02 -9.571898433e-02 5.46 -7.525206937e-02 -7.525206937e-02 5.48 -7.322691053e-02 -7.322691053e-02 5.50 -7.125552379e-02 -7.125552379e-02 5.52 -6.933652112e-02 -6.933652112e-02 5.54 -6.746854816e-02 -6.746854816e-02 5.56 -6.565028347e-02 -6.565028347e-02 5.58 -6.388043787e-02 -6.388043787e-02 5.60 -6.215775376e-02 -6.215775376e-02 5.62 -6.048100445e-02 -6.048100445e-02 5.64 -5.884899351e-02 -5.884899351e-02 5.66 -5.726055411e-02 -5.726055411e-02 5.68 -5.571454836e-02 -5.571454836e-02 5.70 -5.420986670e-02 -5.420986670e-02 5.72 -5.274542727e-02 -5.274542727e-02 5.74 -5.132017527e-02 -5.132017527e-02 5.76 -4.993308237e-02 -4.993308237e-02 5.78 -4.858314613e-02 -4.858314613e-02 5.80 -4.726938937e-02 -4.726938937e-02 5.82 -4.599085962e-02 -4.599085962e-02 5.84 -4.474662855e-02 -4.474662855e-02 5.86 -4.353579140e-02 -4.353579140e-02 5.88 -4.235746642e-02 -4.235746642e-02 5.90 -4.121079438e-02 -4.121079438e-02 5.92 -4.009493798e-02 -4.009493798e-02 5.94 -3.900908137e-02 -3.900908137e-02 5.96 -3.795242963e-02 -3.795242963e-02 5.98 -3.692420826e-02 -3.692420826e-02 6.00 -3.592366270e-02 -3.592366270e-02