# 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 = Co2CrFe # 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 2.314721546e+02 2.314721546e+02 1.10 2.131848705e+02 2.131848705e+02 1.12 1.961228671e+02 1.961228671e+02 1.14 1.803755745e+02 1.803755745e+02 1.16 1.660602221e+02 1.660602221e+02 1.18 1.528142048e+02 1.528142048e+02 1.20 1.409581443e+02 1.409581443e+02 1.22 1.296957782e+02 1.296957782e+02 1.24 1.192336705e+02 1.192336705e+02 1.26 1.097446681e+02 1.097446836e+02 1.28 1.009477844e+02 1.009477844e+02 1.30 9.283365388e+01 9.283365388e+01 1.32 8.522420604e+01 8.522420604e+01 1.34 7.843429129e+01 7.843429129e+01 1.36 7.191987395e+01 7.191987395e+01 1.38 6.592288775e+01 6.592288775e+01 1.40 6.036257014e+01 6.036257014e+01 1.42 5.522446974e+01 5.522446974e+01 1.44 5.070260356e+01 5.070260356e+01 1.46 4.645534652e+01 4.645534652e+01 1.48 4.235419506e+01 4.235419506e+01 1.50 3.856342556e+01 3.856342556e+01 1.52 3.514104170e+01 3.514104170e+01 1.54 3.205204063e+01 3.205204063e+01 1.56 2.903256410e+01 2.903256410e+01 1.58 2.626985388e+01 2.626985388e+01 1.60 2.368842767e+01 2.368842767e+01 1.62 2.130336188e+01 2.130336188e+01 1.64 1.910007583e+01 1.910007583e+01 1.66 1.714373295e+01 1.714373295e+01 1.68 1.533535670e+01 1.533535670e+01 1.70 1.358613832e+01 1.358613832e+01 1.72 1.197237044e+01 1.197237044e+01 1.74 1.056357116e+01 1.056357116e+01 1.76 9.184238781e+00 9.184238781e+00 1.78 7.913595262e+00 7.913595262e+00 1.80 6.743754845e+00 6.743754845e+00 1.82 5.773013909e+00 5.773013909e+00 1.84 4.773858579e+00 4.773858579e+00 1.86 4.014483948e+00 4.014483948e+00 1.88 3.157989303e+00 3.157989303e+00 1.90 2.372766117e+00 2.372766117e+00 1.92 1.653644957e+00 1.653644957e+00 1.94 1.036499934e+00 1.036499934e+00 1.96 4.320681049e-01 4.320681049e-01 1.98 -1.193387161e-01 -1.193387161e-01 2.00 -6.215796891e-01 -6.215796891e-01 2.02 -1.078238686e+00 -1.078238686e+00 2.04 -1.492644836e+00 -1.492644836e+00 2.06 -1.867891408e+00 -1.867891408e+00 2.08 -2.206853189e+00 -2.206853189e+00 2.10 -2.440827495e+00 -2.440827867e+00 2.12 -2.681793066e+00 -2.681793066e+00 2.14 -2.935451142e+00 -2.935451142e+00 2.16 -3.161791294e+00 -3.161791294e+00 2.18 -3.362862952e+00 -3.362862952e+00 2.20 -3.540572257e+00 -3.540572257e+00 2.22 -3.696692230e+00 -3.696692230e+00 2.24 -3.751496840e+00 -3.751496840e+00 2.26 -3.875330150e+00 -3.875330150e+00 2.28 -3.981735336e+00 -3.981735336e+00 2.30 -4.072073432e+00 -4.072073432e+00 2.32 -4.147610490e+00 -4.147610490e+00 2.34 -4.209524165e+00 -4.209524165e+00 2.36 -4.258909826e+00 -4.258909826e+00 2.38 -4.296786226e+00 -4.296786226e+00 2.40 -4.324100765e+00 -4.324100765e+00 2.42 -4.341734387e+00 -4.341734387e+00 2.44 -4.265494494e+00 -4.265494494e+00 2.46 -4.271973508e+00 -4.271973508e+00 2.48 -4.270664210e+00 -4.270664210e+00 2.50 -4.262250786e+00 -4.262250786e+00 2.52 -4.166922317e+00 -4.166922317e+00 2.54 -4.151520663e+00 -4.151520663e+00 2.56 -4.130433719e+00 -4.130433719e+00 2.58 -4.104193978e+00 -4.104193978e+00 2.60 -4.073295757e+00 -4.073295757e+00 2.62 -4.038197761e+00 -4.038197761e+00 2.64 -3.999325483e+00 -3.999325483e+00 2.66 -3.957073437e+00 -3.957073437e+00 2.68 -3.911807239e+00 -3.911807239e+00 2.70 -3.863865558e+00 -3.863865558e+00 2.72 -3.813561928e+00 -3.813561928e+00 2.74 -3.740621116e+00 -3.740621116e+00 2.76 -3.687701003e+00 -3.687701003e+00 2.78 -3.633148293e+00 -3.633148293e+00 2.80 -3.577196490e+00 -3.577196490e+00 2.82 -3.520061102e+00 -3.520061102e+00 2.84 -3.461940863e+00 -3.461940863e+00 2.86 -3.403018866e+00 -3.403018866e+00 2.88 -3.343463631e+00 -3.343463631e+00 2.90 -3.283430096e+00 -3.283430096e+00 2.92 -3.223060547e+00 -3.223060547e+00 2.94 -3.162485482e+00 -3.162485482e+00 2.96 -3.101824427e+00 -3.101824427e+00 2.98 -3.041186688e+00 -3.041186688e+00 3.00 -2.980672059e+00 -2.980672059e+00 3.02 -2.920371490e+00 -2.920371490e+00 3.04 -2.860367695e+00 -2.860367695e+00 3.06 -2.800735738e+00 -2.800735738e+00 3.08 -2.741543567e+00 -2.741543567e+00 3.10 -2.682852520e+00 -2.682852520e+00 3.12 -2.624717799e+00 -2.624717799e+00 3.14 -2.567188905e+00 -2.567188905e+00 3.16 -2.482736863e+00 -2.482736863e+00 3.18 -2.428018182e+00 -2.428018182e+00 3.20 -2.373945451e+00 -2.373945451e+00 3.22 -2.320553352e+00 -2.320553352e+00 3.24 -2.267872457e+00 -2.267872457e+00 3.26 -2.215929529e+00 -2.215929529e+00 3.28 -2.164747807e+00 -2.164747807e+00 3.30 -2.031344954e+00 -2.031344954e+00 3.32 -1.985982861e+00 -1.985982861e+00 3.34 -1.941217248e+00 -1.941217248e+00 3.36 -1.897070645e+00 -1.897070645e+00 3.38 -1.853562668e+00 -1.853562668e+00 3.40 -1.810710240e+00 -1.810710240e+00 3.42 -1.768527791e+00 -1.768527791e+00 3.44 -1.727027442e+00 -1.727027442e+00 3.46 -1.686219179e+00 -1.686219179e+00 3.48 -1.646111025e+00 -1.646111025e+00 3.50 -1.606709182e+00 -1.606709182e+00 3.52 -1.568018183e+00 -1.568018183e+00 3.54 -1.530041023e+00 -1.530041023e+00 3.56 -1.492779282e+00 -1.492779282e+00 3.58 -1.456233244e+00 -1.456233244e+00 3.60 -1.420402004e+00 -1.420402004e+00 3.62 -1.385283572e+00 -1.385283572e+00 3.64 -1.350874967e+00 -1.350874967e+00 3.66 -1.317172304e+00 -1.317172304e+00 3.68 -1.284170878e+00 -1.284170878e+00 3.70 -1.251865240e+00 -1.251865240e+00 3.72 -1.220249270e+00 -1.220249270e+00 3.74 -1.189316242e+00 -1.189316242e+00 3.76 -1.159058885e+00 -1.159058885e+00 3.78 -1.129469444e+00 -1.129469444e+00 3.80 -1.100539731e+00 -1.100539731e+00 3.82 -1.072261175e+00 -1.072261175e+00 3.84 -1.044624869e+00 -1.044624869e+00 3.86 -9.750950859e-01 -9.750950859e-01 3.88 -9.505730123e-01 -9.505730123e-01 3.90 -9.265840037e-01 -9.265840037e-01 3.92 -9.031216986e-01 -9.031216986e-01 3.94 -8.801794349e-01 -8.801794349e-01 3.96 -8.577502853e-01 -8.577502853e-01 3.98 -8.358270897e-01 -8.358270897e-01 4.00 -8.144024861e-01 -8.144024861e-01 4.02 -7.934689380e-01 -7.934689380e-01 4.04 -7.730187611e-01 -7.730187611e-01 4.06 -7.530441473e-01 -7.530441473e-01 4.08 -7.335371874e-01 -7.335371874e-01 4.10 -7.144898911e-01 -7.144898911e-01 4.12 -6.958942070e-01 -6.958942070e-01 4.14 -6.777420396e-01 -6.777420396e-01 4.16 -6.600252661e-01 -6.600252661e-01 4.18 -6.427357509e-01 -6.427357509e-01 4.20 -6.258653597e-01 -6.258653597e-01 4.22 -6.094059719e-01 -6.094059719e-01 4.24 -5.933494925e-01 -5.933494925e-01 4.26 -5.776878622e-01 -5.776878622e-01 4.28 -5.624130675e-01 -5.624130675e-01 4.30 -5.475171493e-01 -5.475171493e-01 4.32 -5.329922106e-01 -5.329922106e-01 4.34 -5.188304244e-01 -5.188304244e-01 4.36 -5.050240396e-01 -5.050240396e-01 4.38 -4.915653870e-01 -4.915653870e-01 4.40 -4.784468848e-01 -4.784468848e-01 4.42 -4.656610431e-01 -4.656610431e-01 4.44 -4.532004678e-01 -4.532004678e-01 4.46 -4.410578649e-01 -4.410578649e-01 4.48 -4.292260432e-01 -4.292260432e-01 4.50 -4.176979170e-01 -4.176979170e-01 4.52 -4.064665092e-01 -4.064665092e-01 4.54 -3.955249522e-01 -3.955249522e-01 4.56 -3.848664908e-01 -3.848664908e-01 4.58 -3.744844825e-01 -3.744844825e-01 4.60 -3.643723994e-01 -3.643723994e-01 4.62 -3.545238285e-01 -3.545238285e-01 4.64 -3.449324724e-01 -3.449324724e-01 4.66 -3.355921498e-01 -3.355921498e-01 4.68 -3.264967953e-01 -3.264967953e-01 4.70 -3.176404598e-01 -3.176404598e-01 4.72 -3.090173098e-01 -3.090173098e-01 4.74 -3.006216273e-01 -3.006216273e-01 4.76 -2.924478090e-01 -2.924478090e-01 4.78 -2.844903659e-01 -2.844903659e-01 4.80 -2.767439222e-01 -2.767439222e-01 4.82 -2.692032148e-01 -2.692032148e-01 4.84 -2.618630918e-01 -2.618630918e-01 4.86 -2.547185117e-01 -2.547185117e-01 4.88 -2.477645421e-01 -2.477645421e-01 4.90 -2.409963583e-01 -2.409963583e-01 4.92 -2.344092426e-01 -2.344092426e-01 4.94 -2.279985818e-01 -2.279985818e-01 4.96 -2.217598671e-01 -2.217598671e-01 4.98 -2.156886913e-01 -2.156886913e-01 5.00 -2.097807483e-01 -2.097807483e-01 5.02 -2.040318312e-01 -2.040318312e-01 5.04 -1.984378305e-01 -1.984378305e-01 5.06 -1.929947326e-01 -1.929947326e-01 5.08 -1.876986186e-01 -1.876986186e-01 5.10 -1.825456621e-01 -1.825456621e-01 5.12 -1.775321279e-01 -1.775321279e-01 5.14 -1.726543700e-01 -1.726543700e-01 5.16 -1.679088306e-01 -1.679088306e-01 5.18 -1.632920376e-01 -1.632920376e-01 5.20 -1.588006037e-01 -1.588006037e-01 5.22 -1.544312242e-01 -1.544312242e-01 5.24 -1.501806757e-01 -1.501806757e-01 5.26 -1.460458143e-01 -1.460458143e-01 5.28 -1.420235739e-01 -1.420235739e-01 5.30 -1.381109649e-01 -1.381109649e-01 5.32 -1.343050722e-01 -1.343050722e-01 5.34 -1.306030541e-01 -1.306030541e-01 5.36 -1.270021400e-01 -1.270021400e-01 5.38 -1.234996296e-01 -1.234996296e-01 5.40 -1.200928911e-01 -1.200928911e-01 5.42 -1.167793593e-01 -1.167793593e-01 5.44 -1.135565347e-01 -1.135565347e-01 5.46 -8.930295418e-02 -8.930295418e-02 5.48 -8.691214554e-02 -8.691214554e-02 5.50 -8.458451239e-02 -8.458451239e-02 5.52 -8.231843070e-02 -8.231843070e-02 5.54 -8.011231571e-02 -8.011231571e-02 5.56 -7.796462109e-02 -7.796462109e-02 5.58 -7.587383816e-02 -7.587383816e-02 5.60 -7.383849507e-02 -7.383849507e-02 5.62 -7.185715607e-02 -7.185715607e-02 5.64 -6.992842068e-02 -6.992842068e-02 5.66 -6.805092297e-02 -6.805092297e-02 5.68 -6.622333080e-02 -6.622333080e-02 5.70 -6.444434507e-02 -6.444434507e-02 5.72 -6.271269898e-02 -6.271269898e-02 5.74 -6.102715734e-02 -6.102715734e-02 5.76 -5.938651584e-02 -5.938651584e-02 5.78 -5.778960035e-02 -5.778960035e-02 5.80 -5.623526625e-02 -5.623526625e-02 5.82 -5.472239774e-02 -5.472239774e-02 5.84 -5.324990719e-02 -5.324990719e-02 5.86 -5.181673449e-02 -5.181673449e-02 5.88 -5.042184639e-02 -5.042184639e-02 5.90 -4.906423588e-02 -4.906423588e-02 5.92 -4.774292160e-02 -4.774292160e-02 5.94 -4.645694720e-02 -4.645694720e-02 5.96 -4.520538077e-02 -4.520538077e-02 5.98 -4.398731424e-02 -4.398731424e-02 6.00 -4.280186282e-02 -4.280186282e-02