# 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 = MnNi # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan 2.312849504e+02 2.312849504e+02 nan nan 0.86 nan nan nan nan 2.099129586e+02 2.099129586e+02 nan nan 0.88 nan nan nan nan 1.907539633e+02 1.907539633e+02 nan nan 0.90 nan nan nan nan 1.735387383e+02 1.735387383e+02 nan nan 0.92 nan nan nan nan 1.578875343e+02 1.578875343e+02 nan nan 0.94 nan nan nan nan 1.438836075e+02 1.438836075e+02 nan nan 0.96 2.277188954e+02 2.277188954e+02 nan nan 1.311481013e+02 1.311481013e+02 nan nan 0.98 2.083858896e+02 2.083858896e+02 nan nan 1.194747205e+02 1.194747205e+02 nan nan 1.00 1.909207752e+02 1.909207752e+02 nan nan 1.090802196e+02 1.090802196e+02 nan nan 1.02 1.746666647e+02 1.746666647e+02 nan nan 9.950489818e+01 9.950489818e+01 nan nan 1.04 1.601229191e+02 1.601229191e+02 nan nan 9.073791821e+01 9.073791821e+01 nan nan 1.06 1.466585825e+02 1.466585825e+02 nan nan 8.288101993e+01 8.288101993e+01 nan nan 1.08 1.344055423e+02 1.344055423e+02 1.949174750e+02 1.949174750e+02 7.583123858e+01 7.583123858e+01 2.102326175e+02 2.102326175e+02 1.10 1.233427630e+02 1.233427630e+02 1.795943028e+02 1.795943028e+02 6.930244727e+01 6.930244727e+01 1.937966052e+02 1.937966052e+02 1.12 1.129700875e+02 1.129700875e+02 1.652839991e+02 1.652839991e+02 6.331303943e+01 6.331303943e+01 1.786301239e+02 1.786301239e+02 1.14 1.034398586e+02 1.034398586e+02 1.520700718e+02 1.520700718e+02 5.777818709e+01 5.777818709e+01 1.647127791e+02 1.647127791e+02 1.16 9.485210232e+01 9.485210232e+01 1.400608469e+02 1.400608469e+02 5.279576097e+01 5.279576097e+01 1.518899524e+02 1.518899524e+02 1.18 8.704086771e+01 8.704086771e+01 1.289439376e+02 1.289439376e+02 4.824468399e+01 4.824468399e+01 1.401244865e+02 1.401244865e+02 1.20 7.965897371e+01 7.965897371e+01 1.190046050e+02 1.190046050e+02 4.412754654e+01 4.412754654e+01 1.291816781e+02 1.291816781e+02 1.22 7.298094523e+01 7.298094523e+01 1.095468175e+02 1.095468175e+02 4.032483728e+01 4.032483728e+01 1.192250561e+02 1.192250561e+02 1.24 6.697130519e+01 6.697130519e+01 1.007551531e+02 1.007551531e+02 3.676880816e+01 3.676880816e+01 1.099054606e+02 1.099054606e+02 1.26 6.128079974e+01 6.128079974e+01 9.281762410e+01 9.281762410e+01 3.354678738e+01 3.354678738e+01 1.013911779e+02 1.013911779e+02 1.28 5.602249838e+01 5.602249838e+01 8.539277696e+01 8.539277696e+01 3.061386988e+01 3.061386988e+01 9.346705196e+01 9.346705196e+01 1.30 5.122748616e+01 5.122748616e+01 7.857292326e+01 7.857292326e+01 2.798023949e+01 2.798023949e+01 8.609035075e+01 8.609035075e+01 1.32 4.674766116e+01 4.674766116e+01 7.217028219e+01 7.217028219e+01 2.546020745e+01 2.546020745e+01 7.929687778e+01 7.929687778e+01 1.34 4.262821073e+01 4.262821073e+01 6.646547159e+01 6.646547159e+01 2.318673559e+01 2.318673559e+01 7.299260212e+01 7.299260212e+01 1.36 3.890669191e+01 3.890669191e+01 6.098000434e+01 6.098000434e+01 2.106568529e+01 2.106568529e+01 6.718596421e+01 6.718596421e+01 1.38 3.555630868e+01 3.555630868e+01 5.592951780e+01 5.592951780e+01 1.913786597e+01 1.913786597e+01 6.183538798e+01 6.183538798e+01 1.40 3.232341189e+01 3.232341189e+01 5.124448331e+01 5.124448331e+01 1.735192838e+01 1.735192838e+01 5.688186765e+01 5.688186765e+01 1.42 2.941889120e+01 2.941889120e+01 4.691378836e+01 4.691378836e+01 1.571340541e+01 1.571340541e+01 5.229482944e+01 5.229482944e+01 1.44 2.667273780e+01 2.667273780e+01 4.310862520e+01 4.310862520e+01 1.430925974e+01 1.430925974e+01 4.796322843e+01 4.796322843e+01 1.46 2.421360432e+01 2.421360432e+01 3.953233992e+01 3.953233992e+01 1.306714120e+01 1.306714120e+01 4.398819090e+01 4.398819090e+01 1.48 2.187958428e+01 2.187958428e+01 3.607069802e+01 3.607069802e+01 1.177360722e+01 1.177360722e+01 4.037821120e+01 4.037821120e+01 1.50 1.983523467e+01 1.983523467e+01 3.286985232e+01 3.286985232e+01 1.058680462e+01 1.058680462e+01 3.693701441e+01 3.693701441e+01 1.52 1.784692279e+01 1.784692279e+01 2.998248611e+01 2.998248611e+01 9.497838117e+00 9.497838117e+00 3.380432797e+01 3.380432797e+01 1.54 1.615683320e+01 1.615683320e+01 2.737668594e+01 2.737668594e+01 8.568300987e+00 8.568300987e+00 3.084440219e+01 3.084440219e+01 1.56 1.445888216e+01 1.445888216e+01 2.482332756e+01 2.482332756e+01 7.644022986e+00 7.644022986e+00 2.810988809e+01 2.810988809e+01 1.58 1.291571254e+01 1.291571254e+01 2.248713773e+01 2.248713773e+01 6.820622285e+00 6.820622285e+00 2.561859019e+01 2.561859019e+01 1.60 1.147803092e+01 1.147803092e+01 2.030221495e+01 2.030221495e+01 6.040380272e+00 6.040380272e+00 2.328360779e+01 2.328360779e+01 1.62 1.015648691e+01 1.015648691e+01 1.828256196e+01 1.828256196e+01 5.324866462e+00 5.324866462e+00 2.107471784e+01 2.107471784e+01 1.64 8.942064562e+00 8.942064562e+00 1.641594399e+01 1.641594399e+01 4.668848952e+00 4.668848952e+00 1.902999820e+01 1.902999820e+01 1.66 7.826480232e+00 7.826480232e+00 1.476089968e+01 1.476089968e+01 4.067541623e+00 4.067541623e+00 1.713747880e+01 1.713747880e+01 1.68 6.802117956e+00 6.802117956e+00 1.322918724e+01 1.322918724e+01 3.550902368e+00 3.550902368e+00 1.543331486e+01 1.543331486e+01 1.70 6.000929464e+00 6.000929464e+00 1.174453344e+01 1.174453344e+01 3.042877239e+00 3.042877239e+00 1.390184799e+01 1.390184799e+01 1.72 5.125102186e+00 5.125102186e+00 1.037407468e+01 1.037407468e+01 2.577815974e+00 2.577815974e+00 1.238981935e+01 1.238981935e+01 1.74 4.322395465e+00 4.322395465e+00 9.179671561e+00 9.179671561e+00 2.222478067e+00 2.222478067e+00 1.103852683e+01 1.103852683e+01 1.76 3.657266179e+00 3.657266179e+00 8.006682047e+00 8.006682047e+00 1.826771637e+00 1.826771637e+00 9.742174090e+00 9.742174090e+00 1.78 2.977891914e+00 2.977891914e+00 6.925431284e+00 6.925431284e+00 1.465250448e+00 1.465250448e+00 8.639792030e+00 8.639792030e+00 1.80 2.356725550e+00 2.356725550e+00 5.929291339e+00 5.929291339e+00 1.135218446e+00 1.135218446e+00 7.525230014e+00 7.525230014e+00 1.82 1.814315287e+00 1.814315287e+00 5.105864924e+00 5.105864924e+00 8.341978573e-01 8.341978573e-01 6.520729535e+00 6.520729535e+00 1.84 1.294314803e+00 1.294314803e+00 4.253566868e+00 4.253566868e+00 5.599103329e-01 5.599103329e-01 5.570000760e+00 5.570000760e+00 1.86 8.203783959e-01 8.203783959e-01 3.608771988e+00 3.608771988e+00 3.796208164e-01 3.796208164e-01 4.741471618e+00 4.741471618e+00 1.88 3.889868473e-01 3.889868473e-01 2.876774987e+00 2.876774987e+00 1.465219940e-01 1.465219940e-01 3.930173574e+00 3.930173574e+00 1.90 7.128439456e-02 7.128439456e-02 2.205109657e+00 2.205109657e+00 -6.510109492e-02 -6.510109492e-02 3.230271545e+00 3.230271545e+00 1.92 -2.909441685e-01 -2.909441685e-01 1.589422740e+00 1.589422740e+00 -2.569329764e-01 -2.569329764e-01 2.564821186e+00 2.564821186e+00 1.94 -6.191117874e-01 -6.191117874e-01 1.061606621e+00 1.061606621e+00 -3.945947404e-01 -3.945947404e-01 1.928261888e+00 1.928261888e+00 1.96 -9.158354214e-01 -9.158354214e-01 5.429972750e-01 5.429972750e-01 -5.544329536e-01 -5.544329536e-01 1.367950311e+00 1.367950311e+00 1.98 -1.183535662e+00 -1.183535662e+00 6.935812194e-02 6.935812194e-02 -6.985237061e-01 -6.985237061e-01 8.304566280e-01 8.304566280e-01 2.00 -1.351461777e+00 -1.351461777e+00 -3.625643633e-01 -3.625643633e-01 -8.281058551e-01 -8.281058551e-01 3.383615282e-01 3.383615282e-01 2.02 -1.573680931e+00 -1.573680931e+00 -7.557924025e-01 -7.557924025e-01 -9.443224897e-01 -9.443224897e-01 -1.115574285e-01 -1.115574285e-01 2.04 -1.772613395e+00 -1.772613395e+00 -1.113134147e+00 -1.113134147e+00 -1.048228669e+00 -1.048228669e+00 -4.373944243e-01 -4.373944243e-01 2.06 -1.950075482e+00 -1.950075482e+00 -1.437199523e+00 -1.437199523e+00 -1.140798495e+00 -1.140798495e+00 -8.186057225e-01 -8.186057225e-01 2.08 -2.107748799e+00 -2.107748799e+00 -1.730414810e+00 -1.730414810e+00 -1.222931580e+00 -1.222931580e+00 -1.165467485e+00 -1.165467485e+00 2.10 -2.196358440e+00 -2.196358440e+00 -1.928690053e+00 -1.928690053e+00 -1.264129681e+00 -1.264129681e+00 -1.467409917e+00 -1.467409917e+00 2.12 -2.283950208e+00 -2.283950208e+00 -2.141542967e+00 -2.141542967e+00 -1.313339277e+00 -1.313339277e+00 -1.742903500e+00 -1.742903500e+00 2.14 -2.397881497e+00 -2.397881497e+00 -2.362306321e+00 -2.362306321e+00 -1.372491737e+00 -1.372491737e+00 -2.002597648e+00 -2.002597648e+00 2.16 -2.497070011e+00 -2.497070011e+00 -2.559780311e+00 -2.559780311e+00 -1.423891586e+00 -1.423891586e+00 -2.224742537e+00 -2.224742537e+00 2.18 -2.582702616e+00 -2.582702616e+00 -2.735698024e+00 -2.735698024e+00 -1.468167152e+00 -1.468167152e+00 -2.412194235e+00 -2.412194235e+00 2.20 -2.655878704e+00 -2.655878704e+00 -2.891671949e+00 -2.891671949e+00 -1.505899449e+00 -1.505899449e+00 -2.603109393e+00 -2.603109393e+00 2.22 -2.717616666e+00 -2.717616666e+00 -3.029202515e+00 -3.029202515e+00 -1.537625812e+00 -1.537625812e+00 -2.773399495e+00 -2.773399495e+00 2.24 -2.732912332e+00 -2.732912332e+00 -3.077790925e+00 -3.077790925e+00 -1.491948174e+00 -1.491948174e+00 -2.924582497e+00 -2.924582497e+00 2.26 -2.777195837e+00 -2.777195837e+00 -3.187849172e+00 -3.187849172e+00 -1.518438854e+00 -1.518438854e+00 -3.058072663e+00 -3.058072663e+00 2.28 -2.812471543e+00 -2.812471543e+00 -3.282976458e+00 -3.282976458e+00 -1.539913029e+00 -1.539913029e+00 -3.175187746e+00 -3.175187746e+00 2.30 -2.839503528e+00 -2.839503528e+00 -3.364327035e+00 -3.364327035e+00 -1.556792912e+00 -1.556792912e+00 -3.277155652e+00 -3.277155652e+00 2.32 -2.858999464e+00 -2.858999464e+00 -3.432975071e+00 -3.432975071e+00 -1.569469197e+00 -1.569469197e+00 -3.311592417e+00 -3.311592417e+00 2.34 -2.871614710e+00 -2.871614710e+00 -3.489920177e+00 -3.489920177e+00 -1.578303413e+00 -1.578303413e+00 -3.390451862e+00 -3.390451862e+00 2.36 -2.877956102e+00 -2.877956102e+00 -3.536092547e+00 -3.536092547e+00 -1.583630090e+00 -1.583630090e+00 -3.409818084e+00 -3.409818084e+00 2.38 -2.878585459e+00 -2.878585459e+00 -3.572357720e+00 -3.572357720e+00 -1.585758758e+00 -1.585758758e+00 -3.468523884e+00 -3.468523884e+00 2.40 -2.874022832e+00 -2.874022832e+00 -3.599521007e+00 -3.599521007e+00 -1.584975799e+00 -1.584975799e+00 -3.516605190e+00 -3.516605190e+00 2.42 -2.864749506e+00 -2.864749506e+00 -3.618331605e+00 -3.618331605e+00 -1.581546150e+00 -1.581546150e+00 -3.507322562e+00 -3.507322562e+00 2.44 -2.851210793e+00 -2.851210793e+00 -3.554024246e+00 -3.554024246e+00 -1.575714878e+00 -1.575714878e+00 -3.539877758e+00 -3.539877758e+00 2.46 -2.833818608e+00 -2.833818608e+00 -3.563287056e+00 -3.563287056e+00 -1.567708637e+00 -1.567708637e+00 -3.563927780e+00 -3.563927780e+00 2.48 -2.812953862e+00 -2.812953862e+00 -3.565799516e+00 -3.565799516e+00 -1.557737011e+00 -1.557737011e+00 -3.580164424e+00 -3.580164424e+00 2.50 -2.788968687e+00 -2.788968687e+00 -3.562145143e+00 -3.562145143e+00 -1.545993763e+00 -1.545993763e+00 -3.589231990e+00 -3.589231990e+00 2.52 -2.762188488e+00 -2.762188488e+00 -3.482436008e+00 -3.482436008e+00 -1.497442772e+00 -1.497442772e+00 -3.591730447e+00 -3.591730447e+00 2.54 -2.732913856e+00 -2.732913856e+00 -3.472698283e+00 -3.472698283e+00 -1.485010494e+00 -1.485010494e+00 -3.563087697e+00 -3.563087697e+00 2.56 -2.701422338e+00 -2.701422338e+00 -3.458001633e+00 -3.458001633e+00 -1.471150354e+00 -1.471150354e+00 -3.555723996e+00 -3.555723996e+00 2.58 -2.594494833e+00 -2.594494833e+00 -3.438801414e+00 -3.438801414e+00 -1.456013565e+00 -1.456013565e+00 -3.543247098e+00 -3.543247098e+00 2.60 -2.564052345e+00 -2.564052345e+00 -3.415520621e+00 -3.415520621e+00 -1.439739823e+00 -1.439739823e+00 -3.526114040e+00 -3.526114040e+00 2.62 -2.531799335e+00 -2.531799335e+00 -3.388552059e+00 -3.388552059e+00 -1.422458141e+00 -1.422458141e+00 -3.504749964e+00 -3.504749964e+00 2.64 -2.497955851e+00 -2.497955851e+00 -3.358260355e+00 -3.358260355e+00 -1.404287606e+00 -1.404287606e+00 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