# 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 = Cr3Fe # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 2.985784839e+02 nan nan 0.98 2.726675657e+02 nan nan 1.00 2.492149492e+02 nan nan 1.02 2.277632349e+02 nan nan 1.04 2.083413273e+02 nan nan 1.06 1.905007332e+02 nan nan 1.08 1.742008956e+02 2.600907192e+02 nan 1.10 1.593881446e+02 2.396177088e+02 2.720737779e+02 1.12 1.456767517e+02 2.205581606e+02 2.508710822e+02 1.14 1.333145923e+02 2.029771771e+02 2.316702578e+02 1.16 1.218266650e+02 1.869685975e+02 2.136804857e+02 1.18 1.113986185e+02 1.721665206e+02 1.971959806e+02 1.20 1.016856979e+02 1.588640639e+02 1.820821720e+02 1.22 9.297490031e+01 1.462803879e+02 1.682958572e+02 1.24 8.478553898e+01 1.346020799e+02 1.553295691e+02 1.26 7.747028116e+01 1.239845601e+02 1.434358923e+02 1.28 7.055948760e+01 1.141464110e+02 1.323995296e+02 1.30 6.435939854e+01 1.050699875e+02 1.221094454e+02 1.32 5.854939297e+01 9.657490530e+01 1.127292498e+02 1.34 5.317289128e+01 8.895689364e+01 1.038900586e+02 1.36 4.832991504e+01 8.168475620e+01 9.578727551e+01 1.38 4.386034090e+01 7.498538563e+01 8.836995591e+01 1.40 3.967475790e+01 6.877508821e+01 8.133779087e+01 1.42 3.590709337e+01 6.303462645e+01 7.490346752e+01 1.44 3.248743513e+01 5.794555181e+01 6.886385666e+01 1.46 2.924517618e+01 5.317521637e+01 6.349400184e+01 1.48 2.624416981e+01 4.859490937e+01 5.828406974e+01 1.50 2.348884800e+01 4.435954835e+01 5.355094225e+01 1.52 2.108078921e+01 4.052160542e+01 4.906671026e+01 1.54 1.878184617e+01 3.704371882e+01 4.506394407e+01 1.56 1.663627517e+01 3.366928517e+01 4.119545174e+01 1.58 1.468873354e+01 3.057594329e+01 3.765028556e+01 1.60 1.288296342e+01 2.768840015e+01 3.432322140e+01 1.62 1.136025548e+01 2.501894920e+01 3.123978384e+01 1.64 9.831455760e+00 2.255142842e+01 2.853491624e+01 1.66 8.432468157e+00 2.034669250e+01 2.587138986e+01 1.68 7.153109335e+00 1.830732290e+01 2.340388752e+01 1.70 5.984012812e+00 1.634642111e+01 2.111831414e+01 1.72 4.990786554e+00 1.453588710e+01 1.900164701e+01 1.74 4.072569273e+00 1.294131456e+01 1.704184591e+01 1.76 3.190589314e+00 1.139214151e+01 1.545867167e+01 1.78 2.369854099e+00 9.963599796e+00 1.375807880e+01 1.80 1.623812261e+00 8.646959059e+00 1.218542636e+01 1.82 9.739100419e-01 7.535977023e+00 1.081356175e+01 1.84 3.576609231e-01 6.410180186e+00 9.462834064e+00 1.86 -1.621501971e-01 5.527009183e+00 8.215513115e+00 1.88 -6.038160131e-01 4.561454532e+00 7.064320848e+00 1.90 -1.041198052e+00 3.674846494e+00 6.084321421e+00 1.92 -1.459195855e+00 2.861478910e+00 5.098428701e+00 1.94 -1.834076174e+00 2.155271895e+00 4.190438728e+00 1.96 -2.169278348e+00 1.469504289e+00 3.354882700e+00 1.98 -2.467980087e+00 8.425035299e-01 2.586677416e+00 2.00 -2.733117863e+00 2.700109486e-01 1.960773785e+00 2.02 -2.967405611e+00 -2.519286917e-01 1.306756838e+00 2.04 -3.173351889e+00 -7.269898040e-01 7.074333554e-01 2.06 -3.299875539e+00 -1.158586768e+00 1.589503491e-01 2.08 -3.439193349e+00 -1.549893063e+00 -3.422785534e-01 2.10 -3.565924894e+00 -1.835159351e+00 -7.186764608e-01 2.12 -3.676534887e+00 -2.122606359e+00 -1.102902111e+00 2.14 -3.778867720e+00 -2.417947691e+00 -1.490522840e+00 2.16 -3.863857399e+00 -2.682978346e+00 -1.842216036e+00 2.18 -3.932995688e+00 -2.919955890e+00 -2.160552723e+00 2.20 -3.987661366e+00 -3.130980216e+00 -2.447928436e+00 2.22 -4.029128643e+00 -3.318004724e+00 -2.706575510e+00 2.24 -4.019343382e+00 -3.404383561e+00 -2.918958681e+00 2.26 -4.040804781e+00 -3.554630202e+00 -3.127722862e+00 2.28 -4.052116885e+00 -3.685516077e+00 -3.313475341e+00 2.30 -4.054224122e+00 -3.798537604e+00 -3.477909530e+00 2.32 -4.012609524e+00 -3.895086901e+00 -3.622604120e+00 2.34 -3.935766018e+00 -3.976459022e+00 -3.749030909e+00 2.36 -3.922315048e+00 -4.043858663e+00 -3.858562063e+00 2.38 -3.902255686e+00 -4.098406394e+00 -3.952476856e+00 2.40 -3.876256060e+00 -4.141144442e+00 -3.878891401e+00 2.42 -3.844932298e+00 -4.173042059e+00 -3.955881250e+00 2.44 -3.808852321e+00 -4.113007618e+00 -4.019834648e+00 2.46 -3.768539367e+00 -4.131519365e+00 -4.071770969e+00 2.48 -3.724475253e+00 -4.141320160e+00 -4.112640252e+00 2.50 -3.677103400e+00 -4.143160428e+00 -4.143327819e+00 2.52 -3.626831642e+00 -4.060353370e+00 -4.164658568e+00 2.54 -3.574034831e+00 -4.053522454e+00 -4.177400982e+00 2.56 -3.519057248e+00 -4.040328754e+00 -4.182270857e+00 2.58 -3.462214853e+00 -4.021354313e+00 -4.153196402e+00 2.60 -3.403797357e+00 -3.997139539e+00 -4.146024100e+00 2.62 -3.344070160e+00 -3.968186015e+00 -4.132730129e+00 2.64 -3.283276138e+00 -3.934959114e+00 -4.113859493e+00 2.66 -3.221637314e+00 -3.897890437e+00 -4.089919258e+00 2.68 -3.159356394e+00 -3.857380088e+00 -4.061381048e+00 2.70 -3.078380908e+00 -3.813798800e+00 -4.028683371e+00 2.72 -3.016516135e+00 -3.767489910e+00 -3.992233792e+00 2.74 -2.954441508e+00 -3.698939794e+00 -3.952410967e+00 2.76 -2.849866988e+00 -3.649330716e+00 -3.909566538e+00 2.78 -2.790365265e+00 -3.597802079e+00 -3.864026909e+00 2.80 -2.730889249e+00 -3.544609572e+00 -3.816094903e+00 2.82 -2.652630017e+00 -3.489989303e+00 -3.684697864e+00 2.84 -2.594692829e+00 -3.434159128e+00 -3.637684774e+00 2.86 -2.537025859e+00 -3.377319892e+00 -3.588769353e+00 2.88 -2.479718041e+00 -3.319656582e+00 -3.538191968e+00 2.90 -2.422849283e+00 -3.261339415e+00 -3.486175199e+00 2.92 -2.366491154e+00 -3.202524844e+00 -3.432925008e+00 2.94 -2.310707528e+00 -3.143356503e+00 -3.378631828e+00 2.96 -2.255555175e+00 -3.083966088e+00 -3.323471587e+00 2.98 -2.201084316e+00 -3.024474186e+00 -3.267606666e+00 3.00 -2.147339136e+00 -2.964991035e+00 -3.211186797e+00 3.02 -2.094358263e+00 -2.905617254e+00 -3.154349899e+00 3.04 -2.042175211e+00 -2.846444508e+00 -3.097222867e+00 3.06 -1.990818790e+00 -2.787556135e+00 -3.039922306e+00 3.08 -1.940313491e+00 -2.729027739e+00 -2.982555223e+00 3.10 -1.890679840e+00 -2.670927732e+00 -2.925219669e+00 3.12 -1.841934729e+00 -2.613317848e+00 -2.868005345e+00 3.14 -1.794091720e+00 -2.556253621e+00 -2.810994168e+00 3.16 -1.727116301e+00 -2.473197875e+00 -2.714170740e+00 3.18 -1.682183458e+00 -2.418800679e+00 -2.659937470e+00 3.20 -1.638118458e+00 -2.365006029e+00 -2.605996101e+00 3.22 -1.594927257e+00 -2.311852934e+00 -2.552408529e+00 3.24 -1.552613553e+00 -2.259375947e+00 -2.499230874e+00 3.26 -1.511178979e+00 -2.207605489e+00 -2.446513879e+00 3.28 -1.470623300e+00 -2.156568159e+00 -2.394303285e+00 3.30 -1.430944578e+00 -2.026417791e+00 -2.342640174e+00 3.32 -1.392139340e+00 -1.981035260e+00 -2.291561302e+00 3.34 -1.354202725e+00 -1.936233408e+00 -2.241099403e+00 3.36 -1.317128620e+00 -1.892037051e+00 -2.191283471e+00 3.38 -1.243989010e+00 -1.848467889e+00 -2.142139036e+00 3.40 -1.210506733e+00 -1.805544736e+00 -2.093688407e+00 3.42 -1.177765974e+00 -1.763283736e+00 -2.045950914e+00 3.44 -1.145761687e+00 -1.721698561e+00 -1.998943124e+00 3.46 -1.114487882e+00 -1.680800602e+00 -1.952679046e+00 3.48 -1.083937716e+00 -1.640599141e+00 -1.907170327e+00 3.50 -1.032470044e+00 -1.601101518e+00 -1.862426430e+00 3.52 -1.004383554e+00 -1.562313284e+00 -1.818454799e+00 3.54 -9.769461736e-01 -1.524238342e+00 -1.775261025e+00 3.56 -9.501508715e-01 -1.486879082e+00 -1.732848982e+00 3.58 -9.239900444e-01 -1.450236506e+00 -1.691220975e+00 3.60 -8.984555837e-01 -1.414310346e+00 -1.650377860e+00 3.62 -8.735389365e-01 -1.379099168e+00 -1.610319169e+00 3.64 -8.408848971e-01 -1.344600479e+00 -1.489571860e+00 3.66 -8.175520984e-01 -1.310810817e+00 -1.454888966e+00 3.68 -7.947925219e-01 -1.277725840e+00 -1.420804386e+00 3.70 -7.725971010e-01 -1.245340410e+00 -1.387321628e+00 3.72 -7.509565322e-01 -1.213648666e+00 -1.354442990e+00 3.74 -7.298613136e-01 -1.182644100e+00 -1.322169654e+00 3.76 -7.093017803e-01 -1.152319618e+00 -1.290501774e+00 3.78 -6.892681372e-01 -1.122667601e+00 -1.259438560e+00 3.80 -6.697504889e-01 -1.093679968e+00 -1.228978357e+00 3.82 -6.507388668e-01 -1.065348223e+00 -1.199118721e+00 3.84 -6.322232546e-01 -1.037663507e+00 -1.169856480e+00 3.86 -6.141936110e-01 -9.695944760e-01 -1.141187806e+00 3.88 -5.966398907e-01 -9.449848586e-01 -1.113108270e+00 3.90 -5.795520633e-01 -9.209144443e-01 -1.085612900e+00 3.92 -5.629201310e-01 -8.973768130e-01 -1.058696232e+00 3.94 -5.467341438e-01 -8.743652279e-01 -1.032352357e+00 3.96 -5.309842141e-01 -8.518726726e-01 -1.006574971e+00 3.98 -5.156605293e-01 -8.298918859e-01 -9.813574123e-01 4.00 -5.007533636e-01 -8.084153931e-01 -9.566927035e-01 4.02 -4.862530879e-01 -7.874355362e-01 -9.325735872e-01 4.04 -4.721501794e-01 -7.669445011e-01 -9.089925600e-01 4.06 -4.584352296e-01 -7.469343434e-01 -8.859419046e-01 4.08 -4.450989517e-01 -7.273970111e-01 -8.634137186e-01 4.10 -4.321321869e-01 -7.083243675e-01 -8.413999418e-01 4.12 -4.195259100e-01 -6.897082102e-01 -8.198923820e-01 4.14 -4.072712341e-01 -6.715402903e-01 -7.988827377e-01 4.16 -3.953594148e-01 -6.538123292e-01 -7.783626202e-01 4.18 -3.837818540e-01 -6.365160344e-01 -7.583235735e-01 4.20 -3.725301022e-01 -6.196431135e-01 -7.387570929e-01 4.22 -3.615958615e-01 -6.031852881e-01 -7.196546417e-01 4.24 -3.509709870e-01 -5.871343052e-01 -7.010076673e-01 4.26 -3.406474884e-01 -5.714819485e-01 -6.828076155e-01 4.28 -3.306175312e-01 -5.562200487e-01 -6.650459439e-01 4.30 -3.208734370e-01 -5.413404922e-01 -6.477141337e-01 4.32 -3.114076840e-01 -5.268352296e-01 -6.308037013e-01 4.34 -3.022129070e-01 -5.126962836e-01 -6.143062083e-01 4.36 -2.932818968e-01 -4.989157549e-01 -5.982132706e-01 4.38 -2.846075999e-01 -4.854858291e-01 -5.825165673e-01 4.40 -2.761831177e-01 -4.723987818e-01 -5.672078477e-01 4.42 -2.680017051e-01 -4.596469832e-01 -5.522789388e-01 4.44 -2.600567698e-01 -4.472229031e-01 -5.377217512e-01 4.46 -2.523418703e-01 -4.351191139e-01 -5.031312618e-01 4.48 -2.448507150e-01 -4.233282942e-01 -4.900748563e-01 4.50 -2.375771599e-01 -4.118432320e-01 -4.773366324e-01 4.52 -2.305152072e-01 -4.006568267e-01 -4.649100167e-01 4.54 -2.236590032e-01 -3.897620910e-01 -4.527884996e-01 4.56 -2.170028362e-01 -3.791521534e-01 -4.409656402e-01 4.58 -2.105411346e-01 -3.688202588e-01 -4.294350700e-01 4.60 -2.042684646e-01 -3.587597698e-01 -4.181904967e-01 4.62 -1.981795279e-01 -3.489641679e-01 -4.072257073e-01 4.64 -1.922691596e-01 -3.394270534e-01 -3.965345713e-01 4.66 -1.865323256e-01 -3.301421463e-01 -3.861110428e-01 4.68 -1.809641205e-01 -3.211032860e-01 -3.759491629e-01 4.70 -1.755597650e-01 -3.123044313e-01 -3.660430616e-01 4.72 -1.703146036e-01 -3.037396603e-01 -3.563869592e-01 4.74 -1.652241022e-01 -2.954031698e-01 -3.469751680e-01 4.76 -1.602838455e-01 -2.872892745e-01 -3.378020929e-01 4.78 -1.554895348e-01 -2.793924066e-01 -3.288622327e-01 4.80 -1.508369852e-01 -2.717071149e-01 -3.201501807e-01 4.82 -1.463221237e-01 -2.642280637e-01 -3.116606247e-01 4.84 -1.419409861e-01 -2.569500314e-01 -3.033883480e-01 4.86 -1.376897153e-01 -2.498679101e-01 -2.953282290e-01 4.88 -1.335645583e-01 -2.429767036e-01 -2.874752413e-01 4.90 -1.295618644e-01 -2.362715265e-01 -2.798244537e-01 4.92 -1.256780822e-01 -2.297476028e-01 -2.723710297e-01 4.94 -1.219097579e-01 -2.234002639e-01 -2.651102272e-01 4.96 -1.182535326e-01 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