# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AlFe2Ta # 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 2024-04-11 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 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 1.973477784e+02 1.973477784e+02 1.30 1.814369597e+02 1.814369597e+02 1.32 1.667715154e+02 1.667715154e+02 1.34 1.532424484e+02 1.532424484e+02 1.36 1.407548405e+02 1.407548405e+02 1.38 1.292261239e+02 1.292261239e+02 1.40 1.185836385e+02 1.185836385e+02 1.42 1.087621681e+02 1.087621681e+02 1.44 9.970184684e+01 9.970184684e+01 1.46 9.134662454e+01 9.134662454e+01 1.48 8.364342835e+01 8.364342835e+01 1.50 7.654191673e+01 7.654191673e+01 1.52 6.999444452e+01 6.999444452e+01 1.54 6.395604973e+01 6.395604973e+01 1.56 5.838462032e+01 5.838462032e+01 1.58 5.324126284e+01 5.324126284e+01 1.60 4.849056901e+01 4.849056901e+01 1.62 4.410053006e+01 4.410053006e+01 1.64 4.004216682e+01 4.004216682e+01 1.66 3.628913945e+01 3.628913945e+01 1.68 3.281754016e+01 3.281754016e+01 1.70 2.960686544e+01 2.960686544e+01 1.72 2.664283888e+01 2.664283888e+01 1.74 2.390828204e+01 2.390828204e+01 1.76 2.138666294e+01 2.138666294e+01 1.78 1.906412047e+01 1.906412047e+01 1.80 1.692776454e+01 1.692776454e+01 1.82 1.496434463e+01 1.496434463e+01 1.84 1.316164038e+01 1.316164038e+01 1.86 1.150839354e+01 1.150839354e+01 1.88 9.994141746e+00 9.994141746e+00 1.90 8.608974223e+00 8.608974223e+00 1.92 7.343259998e+00 7.343259998e+00 1.94 6.187421673e+00 6.187421673e+00 1.96 5.131834667e+00 5.131834667e+00 1.98 4.166908027e+00 4.166908027e+00 2.00 3.283344049e+00 3.283344049e+00 2.02 2.472502020e+00 2.472502020e+00 2.04 1.726743096e+00 1.726743096e+00 2.06 1.039640298e+00 1.039640298e+00 2.08 4.059989846e-01 4.059989846e-01 2.10 -1.782899796e-01 -1.782899796e-01 2.12 -7.164930134e-01 -7.164930134e-01 2.14 -1.211294613e+00 -1.211294613e+00 2.16 -1.665020509e+00 -1.665020509e+00 2.18 -2.079798688e+00 -2.079798688e+00 2.20 -2.457659410e+00 -2.457659410e+00 2.22 -2.800589797e+00 -2.800589797e+00 2.24 -3.110561697e+00 -3.110561697e+00 2.26 -3.389546806e+00 -3.389546806e+00 2.28 -3.639525376e+00 -3.639525376e+00 2.30 -3.862488215e+00 -3.862488215e+00 2.32 -4.060423667e+00 -4.060423667e+00 2.34 -4.235157522e+00 -4.235157522e+00 2.36 -4.388741469e+00 -4.388741469e+00 2.38 -4.523239767e+00 -4.523239767e+00 2.40 -4.640535724e+00 -4.640535724e+00 2.42 -4.742304951e+00 -4.742304951e+00 2.44 -4.830002248e+00 -4.830002248e+00 2.46 -4.904608073e+00 -4.904608073e+00 2.48 -4.966755451e+00 -4.966755451e+00 2.50 -5.017153150e+00 -5.017153150e+00 2.52 -5.056587802e+00 -5.056587802e+00 2.54 -5.085902944e+00 -5.085902944e+00 2.56 -5.105978012e+00 -5.105978012e+00 2.58 -5.117705974e+00 -5.117705974e+00 2.60 -5.121967992e+00 -5.121967992e+00 2.62 -5.119604238e+00 -5.119604238e+00 2.64 -5.111382745e+00 -5.111382745e+00 2.66 -5.097971514e+00 -5.097971514e+00 2.68 -5.079920580e+00 -5.079920580e+00 2.70 -5.057658236e+00 -5.057658236e+00 2.72 -5.031516854e+00 -5.031516854e+00 2.74 -5.002389753e+00 -5.002389753e+00 2.76 -4.970512440e+00 -4.970512440e+00 2.78 -4.935674763e+00 -4.935674763e+00 2.80 -4.897689554e+00 -4.897689554e+00 2.82 -4.856402984e+00 -4.856402984e+00 2.84 -4.811701442e+00 -4.811701442e+00 2.86 -4.763508508e+00 -4.763508508e+00 2.88 -4.711783739e+00 -4.711783739e+00 2.90 -4.656534532e+00 -4.656534532e+00 2.92 -4.597798486e+00 -4.597798486e+00 2.94 -4.535614497e+00 -4.535614497e+00 2.96 -4.469895189e+00 -4.469895189e+00 2.98 -4.400542179e+00 -4.400542179e+00 3.00 -4.327533057e+00 -4.327533057e+00 3.02 -4.250912163e+00 -4.250912163e+00 3.04 -4.170780524e+00 -4.170780524e+00 3.06 -4.087285421e+00 -4.087285421e+00 3.08 -4.000609475e+00 -4.000609475e+00 3.10 -3.910960362e+00 -3.910960362e+00 3.12 -3.818562774e+00 -3.818562774e+00 3.14 -3.723654658e+00 -3.723654658e+00 3.16 -3.626488950e+00 -3.626488950e+00 3.18 -3.527340762e+00 -3.527340762e+00 3.20 -3.426518221e+00 -3.426518221e+00 3.22 -3.324374045e+00 -3.324374045e+00 3.24 -3.221314405e+00 -3.221314405e+00 3.26 -3.117801941e+00 -3.117801941e+00 3.28 -3.014350785e+00 -3.014350785e+00 3.30 -2.911512857e+00 -2.911512857e+00 3.32 -2.809856305e+00 -2.809856305e+00 3.34 -2.709938402e+00 -2.709938402e+00 3.36 -2.612276300e+00 -2.612276300e+00 3.38 -2.517319399e+00 -2.517319399e+00 3.40 -2.425426810e+00 -2.425426810e+00 3.42 -2.336852430e+00 -2.336852430e+00 3.44 -2.251738814e+00 -2.251738814e+00 3.46 -2.170119707e+00 -2.170119707e+00 3.48 -2.091929912e+00 -2.091929912e+00 3.50 -2.017020535e+00 -2.017020535e+00 3.52 -1.945177370e+00 -1.945177370e+00 3.54 -1.876140396e+00 -1.876140396e+00 3.56 -1.809622759e+00 -1.809622759e+00 3.58 -1.745328134e+00 -1.745328134e+00 3.60 -1.682965860e+00 -1.682965860e+00 3.62 -1.622263648e+00 -1.622263648e+00 3.64 -1.562977864e+00 -1.562977864e+00 3.66 -1.504901577e+00 -1.504901577e+00 3.68 -1.447870503e+00 -1.447870503e+00 3.70 -1.391766975e+00 -1.391766975e+00 3.72 -1.336521929e+00 -1.336521929e+00 3.74 -1.282114869e+00 -1.282114869e+00 3.76 -1.228571706e+00 -1.228571706e+00 3.78 -1.175960417e+00 -1.175960417e+00 3.80 -1.124384568e+00 -1.124384568e+00 3.82 -1.073974954e+00 -1.073974954e+00 3.84 -1.024879790e+00 -1.024879790e+00 3.86 -9.772539516e-01 -9.772539516e-01 3.88 -9.312481326e-01 -9.312481326e-01 3.90 -8.869995628e-01 -8.869995628e-01 3.92 -8.446228269e-01 -8.446228269e-01 3.94 -8.042034568e-01 -8.042034568e-01 3.96 -7.657939521e-01 -7.657939521e-01 3.98 -7.294123210e-01 -7.294123210e-01 4.00 -6.950429059e-01 -6.950429059e-01 4.02 -6.626391661e-01 -6.626391661e-01 4.04 -6.321279328e-01 -6.321279328e-01 4.06 -6.034146204e-01 -6.034146204e-01 4.08 -5.763889078e-01 -5.763889078e-01 4.10 -5.509304669e-01 -5.509304669e-01 4.12 -5.269144895e-01 -5.269144895e-01 4.14 -5.042166145e-01 -5.042166145e-01 4.16 -4.827173475e-01 -4.827173475e-01 4.18 -4.623056936e-01 -4.623056936e-01 4.20 -4.428820151e-01 -4.428820151e-01 4.22 -4.243600457e-01 -4.243600457e-01 4.24 -4.066680173e-01 -4.066680173e-01 4.26 -3.897488644e-01 -3.897488644e-01 4.28 -3.735595067e-01 -3.735595067e-01 4.30 -3.580692633e-01 -3.580692633e-01 4.32 -3.432575271e-01 -3.432575271e-01 4.34 -3.291109081e-01 -3.291109081e-01 4.36 -3.156201228e-01 -3.156201228e-01 4.38 -3.027769373e-01 -3.027769373e-01 4.40 -2.905714643e-01 -2.905714643e-01 4.42 -2.789900463e-01 -2.789900463e-01 4.44 -2.680138677e-01 -2.680138677e-01 4.46 -2.576183245e-01 -2.576183245e-01 4.48 -2.477730811e-01 -2.477730811e-01 4.50 -2.384426648e-01 -2.384426648e-01 4.52 -2.295874405e-01 -2.295874405e-01 4.54 -2.211647724e-01 -2.211647724e-01 4.56 -2.131302207e-01 -2.131302207e-01 4.58 -2.054386511e-01 -2.054386511e-01 4.60 -1.980452173e-01 -1.980452173e-01 4.62 -1.909060308e-01 -1.909060308e-01 4.64 -1.839790134e-01 -1.839790134e-01 4.66 -1.772246631e-01 -1.772246631e-01 4.68 -1.706060611e-01 -1.706060611e-01 4.70 -1.640892738e-01 -1.640892738e-01 4.72 -1.576437219e-01 -1.576437219e-01 4.74 -1.512425450e-01 -1.512425450e-01 4.76 -1.448629853e-01 -1.448629853e-01 4.78 -1.384868003e-01 -1.384868003e-01 4.80 -1.321006908e-01 -1.321006908e-01 4.82 -1.256967562e-01 -1.256967562e-01 4.84 -1.192728484e-01 -1.192728484e-01 4.86 -1.128328919e-01 -1.128328919e-01 4.88 -1.063870168e-01 -1.063870168e-01 4.90 -9.995147836e-02 -9.995147836e-02 4.92 -9.354830265e-02 -9.354830265e-02 4.94 -8.720462116e-02 -8.720462116e-02 4.96 -8.095168719e-02 -8.095168719e-02 4.98 -7.482360172e-02 -7.482360172e-02 5.00 -6.885581499e-02 -6.885581499e-02 5.02 -6.308350358e-02 -6.308350358e-02 5.04 -5.753994526e-02 -5.753994526e-02 5.06 -5.225502065e-02 -5.225502065e-02 5.08 -4.725395881e-02 -4.725395881e-02 5.10 -4.255641653e-02 -4.255641653e-02 5.12 -3.817594177e-02 -3.817594177e-02 5.14 -3.411982892e-02 -3.411982892e-02 5.16 -3.038933535e-02 -3.038933535e-02 5.18 -2.698019128e-02 -2.698019128e-02 5.20 -2.388332803e-02 -2.388332803e-02 5.22 -2.108574079e-02 -2.108574079e-02 5.24 -1.857139745e-02 -1.857139745e-02 5.26 -1.632208486e-02 -1.632208486e-02 5.28 -1.431768920e-02 -1.431768920e-02 5.30 -1.253838341e-02 -1.253838341e-02 5.32 -1.096447007e-02 -1.096447007e-02 5.34 -9.576541667e-03 -9.576541667e-03 5.36 -8.355906042e-03 -8.355906042e-03 5.38 -7.284883820e-03 -7.284883820e-03 5.40 -6.346998517e-03 -6.346998517e-03 5.42 -5.527080268e-03 -5.527080268e-03 5.44 -4.811302694e-03 -4.811302694e-03 5.46 -4.187170097e-03 -4.187170097e-03 5.48 -3.643469432e-03 -3.643469432e-03 5.50 -3.170198816e-03 -3.170198816e-03 5.52 -2.758481784e-03 -2.758481784e-03 5.54 -2.400474294e-03 -2.400474294e-03 5.56 -2.089269658e-03 -2.089269658e-03 5.58 -1.818805019e-03 -1.818805019e-03 5.60 -1.583771873e-03 -1.583771873e-03 5.62 -1.379532159e-03 -1.379532159e-03 5.64 -1.202040818e-03 -1.202040818e-03 5.66 -1.047775169e-03 -1.047775169e-03 5.68 -9.136711556e-04 -9.136711556e-04 5.70 -7.970662316e-04 -7.970662316e-04 5.72 -6.956485418e-04 -6.956485418e-04 5.74 -6.074119341e-04 -6.074119341e-04 5.76 -5.306163158e-04 -5.306163158e-04 5.78 -4.637528461e-04 -4.637528461e-04 5.80 -4.055134682e-04 -4.055134682e-04 5.82 -3.547643066e-04 -3.547643066e-04 5.84 -3.105224893e-04 -3.105224893e-04 5.86 -2.719359868e-04 -2.719359868e-04 5.88 -2.382661027e-04 -2.382661027e-04 5.90 -2.088722819e-04 -2.088722819e-04 5.92 -1.831989442e-04 -1.831989442e-04 5.94 -1.607640796e-04 -1.607640796e-04 5.96 -1.411493765e-04 -1.411493765e-04 5.98 -1.239916797e-04 -1.239916797e-04 6.00 -1.089756012e-04 -1.089756012e-04