# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ni-Mn # implementation = 2025--Sharifi-H--Fe-Ni-Mn--LAMMPS--ipr1 # composition = FeMnNi2 # 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 1.102238915e+03 1.102238915e+03 1.00 1.006895082e+03 1.006895082e+03 1.02 9.149506327e+02 9.149506327e+02 1.04 8.278098609e+02 8.278098609e+02 1.06 7.463046835e+02 7.463046835e+02 1.08 6.708587422e+02 6.708587422e+02 1.10 6.016021974e+02 6.016021974e+02 1.12 5.384586942e+02 5.384586942e+02 1.14 4.812109231e+02 4.812109231e+02 1.16 4.295497468e+02 4.295497468e+02 1.18 3.831106310e+02 3.831106310e+02 1.20 3.415003853e+02 3.415003853e+02 1.22 3.043164861e+02 3.043164861e+02 1.24 2.711607446e+02 2.711607446e+02 1.26 2.416487044e+02 2.416487044e+02 1.28 2.154158168e+02 2.154158168e+02 1.30 1.921212179e+02 1.921212179e+02 1.32 1.714497330e+02 1.714497330e+02 1.34 1.531125920e+02 1.531125920e+02 1.36 1.368472269e+02 1.368472269e+02 1.38 1.224164292e+02 1.224164292e+02 1.40 1.096070854e+02 1.096070854e+02 1.42 9.822864881e+01 9.822864881e+01 1.44 8.811146293e+01 8.811146293e+01 1.46 7.910502938e+01 7.910502938e+01 1.48 7.107627900e+01 7.107627900e+01 1.50 6.390789080e+01 6.390789080e+01 1.52 5.749669127e+01 5.749669127e+01 1.54 5.175214878e+01 5.175214878e+01 1.56 4.659497850e+01 4.659497850e+01 1.58 4.195586115e+01 4.195586115e+01 1.60 3.777427421e+01 3.777427421e+01 1.62 3.399743544e+01 3.399743544e+01 1.64 3.057935324e+01 3.057935324e+01 1.66 2.747997483e+01 2.747997483e+01 1.68 2.466440997e+01 2.466440997e+01 1.70 2.210224828e+01 2.210224828e+01 1.72 1.976697724e+01 1.976697724e+01 1.74 1.763547081e+01 1.763547081e+01 1.76 1.568751697e+01 1.568751697e+01 1.78 1.390536831e+01 1.390536831e+01 1.80 1.227338569e+01 1.227338569e+01 1.82 1.077775779e+01 1.077775779e+01 1.84 9.406265088e+00 9.406265088e+00 1.86 8.148074483e+00 8.148074483e+00 1.88 6.993561329e+00 6.993561329e+00 1.90 5.934155722e+00 5.934155722e+00 1.92 4.962209663e+00 4.962209663e+00 1.94 4.070877358e+00 4.070877358e+00 1.96 3.253972073e+00 3.253972073e+00 1.98 2.505847518e+00 2.505847518e+00 2.00 1.821314022e+00 1.821314022e+00 2.02 1.195578637e+00 1.195578637e+00 2.04 6.242125252e-01 6.242125252e-01 2.06 1.031224867e-01 1.031224867e-01 2.08 -3.714753004e-01 -3.714753004e-01 2.10 -8.030794741e-01 -8.030794741e-01 2.12 -1.194925820e+00 -1.194925820e+00 2.14 -1.550007831e+00 -1.550007831e+00 2.16 -1.871095623e+00 -1.871095623e+00 2.18 -2.160747560e+00 -2.160747560e+00 2.20 -2.421320344e+00 -2.421320344e+00 2.22 -2.654997778e+00 -2.654997778e+00 2.24 -2.863805994e+00 -2.863805994e+00 2.26 -3.049625403e+00 -3.049625403e+00 2.28 -3.214201722e+00 -3.214201722e+00 2.30 -3.359156134e+00 -3.359156134e+00 2.32 -3.485994625e+00 -3.485994625e+00 2.34 -3.596116606e+00 -3.596116606e+00 2.36 -3.690822831e+00 -3.690822831e+00 2.38 -3.771322696e+00 -3.771322696e+00 2.40 -3.838740956e+00 -3.838740956e+00 2.42 -3.894125666e+00 -3.894125666e+00 2.44 -3.938457025e+00 -3.938457025e+00 2.46 -3.972647441e+00 -3.972647441e+00 2.48 -3.997546645e+00 -3.997546645e+00 2.50 -4.013945760e+00 -4.013945760e+00 2.52 -4.022580254e+00 -4.022580254e+00 2.54 -4.024133837e+00 -4.024133837e+00 2.56 -4.019242089e+00 -4.019242089e+00 2.58 -4.008495779e+00 -4.008495779e+00 2.60 -3.992443917e+00 -3.992443917e+00 2.62 -3.971596542e+00 -3.971596542e+00 2.64 -3.946427276e+00 -3.946427276e+00 2.66 -3.917375661e+00 -3.917375661e+00 2.68 -3.884849299e+00 -3.884849299e+00 2.70 -3.849225823e+00 -3.849225823e+00 2.72 -3.810854708e+00 -3.810854708e+00 2.74 -3.770058972e+00 -3.770058972e+00 2.76 -3.727136774e+00 -3.727136774e+00 2.78 -3.682362933e+00 -3.682362933e+00 2.80 -3.635990410e+00 -3.635990410e+00 2.82 -3.588251733e+00 -3.588251733e+00 2.84 -3.539360399e+00 -3.539360399e+00 2.86 -3.489512220e+00 -3.489512220e+00 2.88 -3.438886628e+00 -3.438886628e+00 2.90 -3.387647895e+00 -3.387647895e+00 2.92 -3.335946272e+00 -3.335946272e+00 2.94 -3.283919027e+00 -3.283919027e+00 2.96 -3.231691383e+00 -3.231691383e+00 2.98 -3.179377350e+00 -3.179377350e+00 3.00 -3.127080475e+00 -3.127080475e+00 3.02 -3.074894940e+00 -3.074894940e+00 3.04 -3.022910610e+00 -3.022910610e+00 3.06 -2.971205507e+00 -2.971205507e+00 3.08 -2.919825952e+00 -2.919825952e+00 3.10 -2.868845920e+00 -2.868845920e+00 3.12 -2.818319085e+00 -2.818319085e+00 3.14 -2.768292344e+00 -2.768292344e+00 3.16 -2.718806582e+00 -2.718806582e+00 3.18 -2.669897148e+00 -2.669897148e+00 3.20 -2.621594314e+00 -2.621594314e+00 3.22 -2.573923695e+00 -2.573923695e+00 3.24 -2.526906649e+00 -2.526906649e+00 3.26 -2.480560634e+00 -2.480560634e+00 3.28 -2.434899529e+00 -2.434899529e+00 3.30 -2.389933916e+00 -2.389933916e+00 3.32 -2.345671323e+00 -2.345671323e+00 3.34 -2.302116426e+00 -2.302116426e+00 3.36 -2.259271224e+00 -2.259271224e+00 3.38 -2.217135183e+00 -2.217135183e+00 3.40 -2.175705371e+00 -2.175705371e+00 3.42 -2.134976573e+00 -2.134976573e+00 3.44 -2.094941428e+00 -2.094941428e+00 3.46 -2.055590570e+00 -2.055590570e+00 3.48 -2.016912805e+00 -2.016912805e+00 3.50 -1.978895312e+00 -1.978895312e+00 3.52 -1.941523897e+00 -1.941523897e+00 3.54 -1.904783274e+00 -1.904783274e+00 3.56 -1.868657391e+00 -1.868657391e+00 3.58 -1.833129770e+00 -1.833129770e+00 3.60 -1.798183871e+00 -1.798183871e+00 3.62 -1.763803450e+00 -1.763803450e+00 3.64 -1.729972892e+00 -1.729972892e+00 3.66 -1.696677520e+00 -1.696677520e+00 3.68 -1.663903846e+00 -1.663903846e+00 3.70 -1.631639770e+00 -1.631639770e+00 3.72 -1.599874709e+00 -1.599874709e+00 3.74 -1.568599656e+00 -1.568599656e+00 3.76 -1.537807180e+00 -1.537807180e+00 3.78 -1.507491355e+00 -1.507491355e+00 3.80 -1.477647647e+00 -1.477647647e+00 3.82 -1.448272755e+00 -1.448272755e+00 3.84 -1.419364421e+00 -1.419364421e+00 3.86 -1.390921231e+00 -1.390921231e+00 3.88 -1.362942398e+00 -1.362942398e+00 3.90 -1.335427560e+00 -1.335427560e+00 3.92 -1.308376584e+00 -1.308376584e+00 3.94 -1.281789392e+00 -1.281789392e+00 3.96 -1.255665808e+00 -1.255665808e+00 3.98 -1.230005429e+00 -1.230005429e+00 4.00 -1.204807525e+00 -1.204807525e+00 4.02 -1.180070965e+00 -1.180070965e+00 4.04 -1.155794165e+00 -1.155794165e+00 4.06 -1.131975056e+00 -1.131975056e+00 4.08 -1.108611079e+00 -1.108611079e+00 4.10 -1.085699182e+00 -1.085699182e+00 4.12 -1.063235847e+00 -1.063235847e+00 4.14 -1.041217107e+00 -1.041217107e+00 4.16 -1.019638590e+00 -1.019638590e+00 4.18 -9.984955471e-01 -9.984955471e-01 4.20 -9.777829009e-01 -9.777829009e-01 4.22 -9.574952811e-01 -9.574952811e-01 4.24 -9.376270663e-01 -9.376270663e-01 4.26 -9.181108227e-01 -9.181108227e-01 4.28 -8.977054690e-01 -8.977054690e-01 4.30 -8.722694945e-01 -8.722694945e-01 4.32 -8.354082351e-01 -8.354082351e-01 4.34 -8.109198334e-01 -8.109198334e-01 4.36 -7.947785951e-01 -7.947785951e-01 4.38 -7.789675173e-01 -7.789675173e-01 4.40 -7.634812635e-01 -7.634812635e-01 4.42 -7.483144847e-01 -7.483144847e-01 4.44 -7.334618270e-01 -7.334618270e-01 4.46 -7.189179387e-01 -7.189179387e-01 4.48 -7.046774770e-01 -7.046774770e-01 4.50 -6.907351138e-01 -6.907351138e-01 4.52 -6.770855411e-01 -6.770855411e-01 4.54 -6.637234760e-01 -6.637234760e-01 4.56 -6.506436651e-01 -6.506436651e-01 4.58 -6.378408891e-01 -6.378408891e-01 4.60 -6.253099661e-01 -6.253099661e-01 4.62 -6.130457557e-01 -6.130457557e-01 4.64 -6.010431616e-01 -6.010431616e-01 4.66 -5.892971350e-01 -5.892971350e-01 4.68 -5.778026773e-01 -5.778026773e-01 4.70 -5.665548421e-01 -5.665548421e-01 4.72 -5.555487381e-01 -5.555487381e-01 4.74 -5.447795302e-01 -5.447795302e-01 4.76 -5.342424424e-01 -5.342424424e-01 4.78 -5.239327583e-01 -5.239327583e-01 4.80 -5.138458235e-01 -5.138458235e-01 4.82 -5.039770459e-01 -5.039770459e-01 4.84 -4.943218979e-01 -4.943218979e-01 4.86 -4.848759164e-01 -4.848759164e-01 4.88 -4.756347040e-01 -4.756347040e-01 4.90 -4.665939298e-01 -4.665939298e-01 4.92 -4.570008932e-01 -4.570008932e-01 4.94 -4.372526154e-01 -4.372526154e-01 4.96 -3.794370470e-01 -3.794370470e-01 4.98 -2.291076833e-01 -2.291076833e-01 5.00 -1.850116028e-22 -1.852042043e-22 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 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 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