# 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 = AgMgPd2 # 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 3.175663137e+02 3.175663137e+02 1.30 2.941361912e+02 2.941361912e+02 1.32 2.724456467e+02 2.724456467e+02 1.34 2.523561224e+02 2.523561224e+02 1.36 2.337412375e+02 2.337412375e+02 1.38 2.164848053e+02 2.164848053e+02 1.40 2.004794473e+02 2.004794473e+02 1.42 1.856260565e+02 1.856260565e+02 1.44 1.718340747e+02 1.718340747e+02 1.46 1.590218461e+02 1.590218461e+02 1.48 1.471160984e+02 1.471160984e+02 1.50 1.360504642e+02 1.360504642e+02 1.52 1.257637740e+02 1.257637740e+02 1.54 1.161988288e+02 1.161988288e+02 1.56 1.073018324e+02 1.073018324e+02 1.58 9.902226514e+01 9.902226514e+01 1.60 9.131302672e+01 9.131302672e+01 1.62 8.413076972e+01 8.413076972e+01 1.64 7.745755400e+01 7.745755400e+01 1.66 7.127549121e+01 7.127549121e+01 1.68 6.554890120e+01 6.554890120e+01 1.70 6.024510690e+01 6.024510690e+01 1.72 5.533376044e+01 5.533376044e+01 1.74 5.078634160e+01 5.078634160e+01 1.76 4.657603894e+01 4.657603894e+01 1.78 4.267786288e+01 4.267786288e+01 1.80 3.906877045e+01 3.906877045e+01 1.82 3.572765446e+01 3.572765446e+01 1.84 3.263516727e+01 3.263516727e+01 1.86 2.977343243e+01 2.977343243e+01 1.88 2.712574526e+01 2.712574526e+01 1.90 2.467638084e+01 2.467638084e+01 1.92 2.241056592e+01 2.241056592e+01 1.94 2.031456895e+01 2.031456895e+01 1.96 1.837579959e+01 1.837579959e+01 1.98 1.658281863e+01 1.658281863e+01 2.00 1.492523646e+01 1.492523646e+01 2.02 1.339354229e+01 1.339354229e+01 2.04 1.197893020e+01 1.197893020e+01 2.06 1.067316778e+01 1.067316778e+01 2.08 9.468520020e+00 9.468520020e+00 2.10 8.357718477e+00 8.357718477e+00 2.12 7.333954990e+00 7.333954990e+00 2.14 6.390883416e+00 6.390883416e+00 2.16 5.522617960e+00 5.522617960e+00 2.18 4.723722598e+00 4.723722598e+00 2.20 3.989193396e+00 3.989193396e+00 2.22 3.314433922e+00 3.314433922e+00 2.24 2.695228244e+00 2.695228244e+00 2.26 2.127711873e+00 2.127711873e+00 2.28 1.608339488e+00 1.608339488e+00 2.30 1.133850040e+00 1.133850040e+00 2.32 7.012253604e-01 7.012253604e-01 2.34 3.076483346e-01 3.076483346e-01 2.36 -4.953925468e-02 -4.953925468e-02 2.38 -3.728721740e-01 -3.728721740e-01 2.40 -6.647881067e-01 -6.647881067e-01 2.42 -9.276442762e-01 -9.276442762e-01 2.44 -1.163724254e+00 -1.163724254e+00 2.46 -1.375237502e+00 -1.375237502e+00 2.48 -1.564309745e+00 -1.564309745e+00 2.50 -1.732963394e+00 -1.732963394e+00 2.52 -1.883089424e+00 -1.883089424e+00 2.54 -2.016440063e+00 -2.016440063e+00 2.56 -2.135204656e+00 -2.135204656e+00 2.58 -2.240714913e+00 -2.240714913e+00 2.60 -2.333791207e+00 -2.333791207e+00 2.62 -2.415183451e+00 -2.415183451e+00 2.64 -2.485586523e+00 -2.485586523e+00 2.66 -2.545651233e+00 -2.545651233e+00 2.68 -2.595991702e+00 -2.595991702e+00 2.70 -2.637190497e+00 -2.637190497e+00 2.72 -2.669856270e+00 -2.669856270e+00 2.74 -2.694612833e+00 -2.694612833e+00 2.76 -2.712035090e+00 -2.712035090e+00 2.78 -2.722718416e+00 -2.722718416e+00 2.80 -2.727188876e+00 -2.727188876e+00 2.82 -2.725837571e+00 -2.725837571e+00 2.84 -2.719067189e+00 -2.719067189e+00 2.86 -2.707298156e+00 -2.707298156e+00 2.88 -2.690971478e+00 -2.690971478e+00 2.90 -2.670547320e+00 -2.670547320e+00 2.92 -2.646498077e+00 -2.646498077e+00 2.94 -2.619296611e+00 -2.619296611e+00 2.96 -2.589405642e+00 -2.589405642e+00 2.98 -2.557258792e+00 -2.557258792e+00 3.00 -2.523244168e+00 -2.523244168e+00 3.02 -2.487698190e+00 -2.487698190e+00 3.04 -2.450905604e+00 -2.450905604e+00 3.06 -2.413105055e+00 -2.413105055e+00 3.08 -2.374495262e+00 -2.374495262e+00 3.10 -2.335243097e+00 -2.335243097e+00 3.12 -2.295489269e+00 -2.295489269e+00 3.14 -2.255353794e+00 -2.255353794e+00 3.16 -2.214938031e+00 -2.214938031e+00 3.18 -2.174328537e+00 -2.174328537e+00 3.20 -2.133613623e+00 -2.133613623e+00 3.22 -2.092857068e+00 -2.092857068e+00 3.24 -2.052100501e+00 -2.052100501e+00 3.26 -2.011384682e+00 -2.011384682e+00 3.28 -1.970750934e+00 -1.970750934e+00 3.30 -1.930242014e+00 -1.930242014e+00 3.32 -1.889902314e+00 -1.889902314e+00 3.34 -1.849777454e+00 -1.849777454e+00 3.36 -1.809912700e+00 -1.809912700e+00 3.38 -1.770337252e+00 -1.770337252e+00 3.40 -1.731066735e+00 -1.731066735e+00 3.42 -1.692120432e+00 -1.692120432e+00 3.44 -1.653520401e+00 -1.653520401e+00 3.46 -1.615290504e+00 -1.615290504e+00 3.48 -1.577455366e+00 -1.577455366e+00 3.50 -1.540039480e+00 -1.540039480e+00 3.52 -1.503066379e+00 -1.503066379e+00 3.54 -1.466557886e+00 -1.466557886e+00 3.56 -1.430533462e+00 -1.430533462e+00 3.58 -1.395009652e+00 -1.395009652e+00 3.60 -1.359999668e+00 -1.359999668e+00 3.62 -1.325513089e+00 -1.325513089e+00 3.64 -1.291555704e+00 -1.291555704e+00 3.66 -1.258129494e+00 -1.258129494e+00 3.68 -1.225232755e+00 -1.225232755e+00 3.70 -1.192860376e+00 -1.192860376e+00 3.72 -1.161004243e+00 -1.161004243e+00 3.74 -1.129653794e+00 -1.129653794e+00 3.76 -1.098796658e+00 -1.098796658e+00 3.78 -1.068419379e+00 -1.068419379e+00 3.80 -1.038508143e+00 -1.038508143e+00 3.82 -1.009049477e+00 -1.009049477e+00 3.84 -9.800308522e-01 -9.800308522e-01 3.86 -9.514411632e-01 -9.514411632e-01 3.88 -9.232710731e-01 -9.232710731e-01 3.90 -8.955132448e-01 -8.955132448e-01 3.92 -8.681624179e-01 -8.681624179e-01 3.94 -8.412159894e-01 -8.412159894e-01 3.96 -8.146736165e-01 -8.146736165e-01 3.98 -7.885380015e-01 -7.885380015e-01 4.00 -7.628151744e-01 -7.628151744e-01 4.02 -7.375149000e-01 -7.375149000e-01 4.04 -7.126509797e-01 -7.126509797e-01 4.06 -6.882413193e-01 -6.882413193e-01 4.08 -6.643076452e-01 -6.643076452e-01 4.10 -6.408745263e-01 -6.408745263e-01 4.12 -6.179693110e-01 -6.179693110e-01 4.14 -5.956188537e-01 -5.956188537e-01 4.16 -5.738489827e-01 -5.738489827e-01 4.18 -5.526823941e-01 -5.526823941e-01 4.20 -5.321370817e-01 -5.321370817e-01 4.22 -5.122251640e-01 -5.122251640e-01 4.24 -4.929522264e-01 -4.929522264e-01 4.26 -4.743171980e-01 -4.743171980e-01 4.28 -4.563126924e-01 -4.563126924e-01 4.30 -4.389256735e-01 -4.389256735e-01 4.32 -4.221382862e-01 -4.221382862e-01 4.34 -4.059287031e-01 -4.059287031e-01 4.36 -3.902718863e-01 -3.902718863e-01 4.38 -3.751402175e-01 -3.751402175e-01 4.40 -3.605040039e-01 -3.605040039e-01 4.42 -3.463319042e-01 -3.463319042e-01 4.44 -3.325913359e-01 -3.325913359e-01 4.46 -3.192489201e-01 -3.192489201e-01 4.48 -3.062710085e-01 -3.062710085e-01 4.50 -2.936243125e-01 -2.936243125e-01 4.52 -2.812766354e-01 -2.812766354e-01 4.54 -2.691976924e-01 -2.691976924e-01 4.56 -2.573599898e-01 -2.573599898e-01 4.58 -2.457397268e-01 -2.457397268e-01 4.60 -2.343176746e-01 -2.343176746e-01 4.62 -2.230799819e-01 -2.230799819e-01 4.64 -2.120188443e-01 -2.120188443e-01 4.66 -2.011329731e-01 -2.011329731e-01 4.68 -1.904277936e-01 -1.904277936e-01 4.70 -1.799153133e-01 -1.799153133e-01 4.72 -1.696136135e-01 -1.696136135e-01 4.74 -1.595459520e-01 -1.595459520e-01 4.76 -1.497395033e-01 -1.497395033e-01 4.78 -1.402238074e-01 -1.402238074e-01 4.80 -1.310288439e-01 -1.310288439e-01 4.82 -1.221841029e-01 -1.221841029e-01 4.84 -1.137156492e-01 -1.137156492e-01 4.86 -1.056456666e-01 -1.056456666e-01 4.88 -9.799122266e-02 -9.799122266e-02 4.90 -9.076370156e-02 -9.076370156e-02 4.92 -8.396866382e-02 -8.396866382e-02 4.94 -7.760608631e-02 -7.760608631e-02 4.96 -7.167087024e-02 -7.167087024e-02 4.98 -6.615354670e-02 -6.615354670e-02 5.00 -6.104107400e-02 -6.104107400e-02 5.02 -5.631761736e-02 -5.631761736e-02 5.04 -5.196471791e-02 -5.196471791e-02 5.06 -4.796266491e-02 -4.796266491e-02 5.08 -4.429186816e-02 -4.429186816e-02 5.10 -4.093185937e-02 -4.093185937e-02 5.12 -3.786175114e-02 -3.786175114e-02 5.14 -3.506055896e-02 -3.506055896e-02 5.16 -3.250750271e-02 -3.250750271e-02 5.18 -3.018245138e-02 -3.018245138e-02 5.20 -2.806593270e-02 -2.806593270e-02 5.22 -2.613929503e-02 -2.613929503e-02 5.24 -2.438485012e-02 -2.438485012e-02 5.26 -2.278598510e-02 -2.278598510e-02 5.28 -2.132724402e-02 -2.132724402e-02 5.30 -1.999437974e-02 -1.999437974e-02 5.32 -1.877437728e-02 -1.877437728e-02 5.34 -1.765545063e-02 -1.765545063e-02 5.36 -1.662701568e-02 -1.662701568e-02 5.38 -1.567964221e-02 -1.567964221e-02 5.40 -1.480498834e-02 -1.480498834e-02 5.42 -1.399570866e-02 -1.399570866e-02 5.44 -1.324536432e-02 -1.324536432e-02 5.46 -1.254837019e-02 -1.254837019e-02 5.48 -1.189985878e-02 -1.189985878e-02 5.50 -1.129557831e-02 -1.129557831e-02 5.52 -1.073179626e-02 -1.073179626e-02 5.54 -1.020520995e-02 -1.020520995e-02 5.56 -9.712867103e-03 -9.712867103e-03 5.58 -9.252098286e-03 -9.252098286e-03 5.60 -8.820462036e-03 -8.820462036e-03 5.62 -8.415702598e-03 -8.415702598e-03 5.64 -8.035719172e-03 -8.035719172e-03 5.66 -7.678544900e-03 -7.678544900e-03 5.68 -7.342333490e-03 -7.342333490e-03 5.70 -7.025351273e-03 -7.025351273e-03 5.72 -6.725972706e-03 -6.725972706e-03 5.74 -6.442677661e-03 -6.442677661e-03 5.76 -6.174049272e-03 -6.174049272e-03 5.78 -5.918771553e-03 -5.918771553e-03 5.80 -5.675626352e-03 -5.675626352e-03 5.82 -5.443489517e-03 -5.443489517e-03 5.84 -5.221326349e-03 -5.221326349e-03 5.86 -5.008186548e-03 -5.008186548e-03 5.88 -4.803198916e-03 -4.803198916e-03 5.90 -4.605566108e-03 -4.605566108e-03 5.92 -4.414559696e-03 -4.414559696e-03 5.94 -4.229515781e-03 -4.229515781e-03 5.96 -4.049831348e-03 -4.049831348e-03 5.98 -3.874961495e-03 -3.874961495e-03 6.00 -3.704417641e-03 -3.704417641e-03