# 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 = Al3Mn # 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 2.490966065e+02 nan nan 0.98 2.287527017e+02 nan nan 1.00 2.104008087e+02 nan nan 1.02 1.934476472e+02 nan nan 1.04 1.781845405e+02 nan nan 1.06 1.640265983e+02 nan nan 1.08 1.508799083e+02 2.191583423e+02 nan 1.10 1.392102630e+02 2.032610262e+02 2.286538332e+02 1.12 1.280673887e+02 1.881018091e+02 2.118029032e+02 1.14 1.182059757e+02 1.739784144e+02 1.968724000e+02 1.16 1.088426401e+02 1.612715076e+02 1.824518422e+02 1.18 1.003573832e+02 1.494036850e+02 1.693049550e+02 1.20 9.225853848e+01 1.390946376e+02 1.573358992e+02 1.22 8.519615770e+01 1.289132628e+02 1.465619150e+02 1.24 7.828944626e+01 1.193241748e+02 1.361077584e+02 1.26 7.226746660e+01 1.107567598e+02 1.265772489e+02 1.28 6.638690132e+01 1.027428619e+02 1.176470378e+02 1.30 6.131824875e+01 9.533959326e+01 1.091866481e+02 1.32 5.630856437e+01 8.822923583e+01 1.016069116e+02 1.34 5.162907461e+01 8.210316680e+01 9.424209253e+01 1.36 4.757534603e+01 7.594422658e+01 8.756721646e+01 1.38 4.371799567e+01 7.027245224e+01 8.152469605e+01 1.40 3.999147561e+01 6.496741529e+01 7.557594664e+01 1.42 3.671529062e+01 6.004223575e+01 7.021320882e+01 1.44 3.373287154e+01 5.591861097e+01 6.505432972e+01 1.46 3.076961461e+01 5.197348173e+01 6.071778226e+01 1.48 2.801548166e+01 4.794825770e+01 5.620552716e+01 1.50 2.546952321e+01 4.420741981e+01 5.221082811e+01 1.52 2.333246294e+01 4.089074899e+01 4.828088511e+01 1.54 2.123674252e+01 3.795569089e+01 4.493480541e+01 1.56 1.919656884e+01 3.490494248e+01 4.149607165e+01 1.58 1.735386684e+01 3.212538604e+01 3.837889341e+01 1.60 1.560680556e+01 2.948126318e+01 3.538598664e+01 1.62 1.427417714e+01 2.702155139e+01 3.259666110e+01 1.64 1.275708767e+01 2.473312523e+01 3.030969382e+01 1.66 1.135569033e+01 2.275938482e+01 2.785825526e+01 1.68 1.006145776e+01 2.091960010e+01 2.557308912e+01 1.70 8.866527189e+00 1.905043121e+01 2.344272707e+01 1.72 7.973316858e+00 1.731161098e+01 2.145656400e+01 1.74 7.023979124e+00 1.586030677e+01 1.960478537e+01 1.76 6.113467347e+00 1.434226430e+01 1.835123681e+01 1.78 5.223374055e+00 1.293058968e+01 1.670289550e+01 1.80 4.403480377e+00 1.161803313e+01 1.516675792e+01 1.82 3.707362518e+00 1.060475485e+01 1.391123977e+01 1.84 3.008506349e+00 9.454448136e+00 1.256389682e+01 1.86 2.472404080e+00 8.698332991e+00 1.130886085e+01 1.88 1.962624777e+00 7.681501148e+00 1.014003425e+01 1.90 1.422793938e+00 6.737593586e+00 9.217856904e+00 1.92 9.118467085e-01 5.861726269e+00 8.192277776e+00 1.94 4.439741144e-01 5.134161222e+00 7.237982195e+00 1.96 1.608471728e-02 4.374839527e+00 6.350321526e+00 1.98 -3.746922171e-01 3.671293577e+00 5.524962922e+00 2.00 -7.310233403e-01 3.019819422e+00 4.929757981e+00 2.02 -1.055386489e+00 2.416964422e+00 4.204944443e+00 2.04 -1.350084720e+00 1.859508942e+00 3.531965242e+00 2.06 -1.465254833e+00 1.344449497e+00 2.907476088e+00 2.08 -1.688614767e+00 8.689832297e-01 2.328353143e+00 2.10 -1.881347721e+00 5.699273456e-01 1.954364530e+00 2.12 -2.062752909e+00 2.332178034e-01 1.527235931e+00 2.14 -2.252774540e+00 -1.526710777e-01 1.051489779e+00 2.16 -2.422960360e+00 -5.074759877e-01 6.116108369e-01 2.18 -2.574764580e+00 -8.332549875e-01 2.052932476e-01 2.20 -2.709541408e+00 -1.131932238e+00 -1.696211617e-01 2.22 -2.828552052e+00 -1.405307134e+00 -5.151528725e-01 2.24 -2.848131205e+00 -1.485382733e+00 -7.907739318e-01 2.26 -2.944464045e+00 -1.723915600e+00 -1.085802040e+00 2.28 -3.027976639e+00 -1.941192733e+00 -1.356600932e+00 2.30 -3.099639759e+00 -2.138635619e+00 -1.604737104e+00 2.32 -3.059511962e+00 -2.317575036e+00 -1.831678810e+00 2.34 -3.027534304e+00 -2.479257013e+00 -2.038802483e+00 2.36 -3.080399646e+00 -2.624848371e+00 -2.227398702e+00 2.38 -3.123956137e+00 -2.755441873e+00 -2.398677736e+00 2.40 -3.158929946e+00 -2.872061029e+00 -2.239986860e+00 2.42 -3.185997959e+00 -2.975664560e+00 -2.399033733e+00 2.44 -3.205791046e+00 -2.900736837e+00 -2.542812855e+00 2.46 -3.218897125e+00 -2.990817200e+00 -2.672329578e+00 2.48 -3.225863998e+00 -3.069829174e+00 -2.788527589e+00 2.50 -3.227202014e+00 -3.138544735e+00 -2.892292743e+00 2.52 -3.223386533e+00 -3.039310741e+00 -2.984456648e+00 2.54 -3.214860242e+00 -3.098725585e+00 -3.065800011e+00 2.56 -3.202035302e+00 -3.149354851e+00 -3.137055771e+00 2.58 -3.185295357e+00 -3.191823806e+00 -3.141288730e+00 2.60 -3.164997415e+00 -3.226718652e+00 -3.197587516e+00 2.62 -3.141473588e+00 -3.254588931e+00 -3.245563560e+00 2.64 -3.115032737e+00 -3.275949766e+00 -3.285795701e+00 2.66 -3.085961990e+00 -3.291283971e+00 -3.318827418e+00 2.68 -3.054528173e+00 -3.301044026e+00 -3.345168961e+00 2.70 -2.969298280e+00 -3.305653925e+00 -3.365299356e+00 2.72 -2.936566927e+00 -3.305510912e+00 -3.379668276e+00 2.74 -2.902024428e+00 -3.258174134e+00 -3.388697801e+00 2.76 -2.808430509e+00 -3.251860615e+00 -3.392784066e+00 2.78 -2.774079050e+00 -3.241724733e+00 -3.392298814e+00 2.80 -2.738309969e+00 -3.228077958e+00 -3.387590849e+00 2.82 -2.648033395e+00 -3.211211916e+00 -3.213684693e+00 2.84 -2.612594565e+00 -3.191399578e+00 -3.210018474e+00 2.86 -2.576090165e+00 -3.168896390e+00 -3.202615613e+00 2.88 -2.538664410e+00 -3.143941329e+00 -3.191767865e+00 2.90 -2.500450925e+00 -3.116757891e+00 -3.177749041e+00 2.92 -2.461573428e+00 -3.087555025e+00 -3.160816052e+00 2.94 -2.422146372e+00 -3.056528013e+00 -3.141209894e+00 2.96 -2.382275542e+00 -3.023859288e+00 -3.119156573e+00 2.98 -2.342058620e+00 -2.989719212e+00 -3.094867978e+00 3.00 -2.301585710e+00 -2.954266802e+00 -3.068542704e+00 3.02 -2.260939834e+00 -2.917650417e+00 -3.040366822e+00 3.04 -2.220197395e+00 -2.880008398e+00 -3.010514610e+00 3.06 -2.179428612e+00 -2.841469677e+00 -2.979149240e+00 3.08 -2.138697930e+00 -2.802154344e+00 -2.946423425e+00 3.10 -2.098064397e+00 -2.762174185e+00 -2.912480028e+00 3.12 -2.057582027e+00 -2.721633182e+00 -2.877452636e+00 3.14 -2.017300135e+00 -2.680627993e+00 -2.841466103e+00 3.16 -1.934062099e+00 -2.585071730e+00 -2.718233949e+00 3.18 -1.896278389e+00 -2.545907552e+00 -2.684604323e+00 3.20 -1.858729233e+00 -2.506414548e+00 -2.650165220e+00 3.22 -1.821452034e+00 -2.466669447e+00 -2.615019224e+00 3.24 -1.784480720e+00 -2.426743405e+00 -2.579262130e+00 3.26 -1.747845976e+00 -2.386702353e+00 -2.542983338e+00 3.28 -1.711575471e+00 -2.346607307e+00 -2.506266221e+00 3.30 -1.675694058e+00 -2.143795787e+00 -2.469188476e+00 3.32 -1.640223970e+00 -2.110972516e+00 -2.431822454e+00 3.34 -1.605185002e+00 -2.077934596e+00 -2.394235473e+00 3.36 -1.570594680e+00 -2.044739902e+00 -2.356490112e+00 3.38 -1.432076928e+00 -2.011442170e+00 -2.318644488e+00 3.40 -1.402805934e+00 -1.978091235e+00 -2.280752519e+00 3.42 -1.373842832e+00 -1.944733268e+00 -2.242864172e+00 3.44 -1.345204883e+00 -1.911410986e+00 -2.205025699e+00 3.46 -1.316907507e+00 -1.878163863e+00 -2.167279854e+00 3.48 -1.288964404e+00 -1.845028322e+00 -2.129666102e+00 3.50 -1.232146847e+00 -1.812037914e+00 -2.092220820e+00 3.52 -1.206241409e+00 -1.779223499e+00 -2.054977478e+00 3.54 -1.180665304e+00 -1.746613401e+00 -2.017966818e+00 3.56 -1.155428926e+00 -1.714233569e+00 -1.981217016e+00 3.58 -1.130541365e+00 -1.682107718e+00 -1.944753842e+00 3.60 -1.106010499e+00 -1.650257468e+00 -1.908600804e+00 3.62 -1.081843079e+00 -1.618702473e+00 -1.872779292e+00 3.64 -1.052732041e+00 -1.587460546e+00 -1.671801039e+00 3.66 -1.029552952e+00 -1.556547770e+00 -1.643349972e+00 3.68 -1.006740282e+00 -1.525978612e+00 -1.615018243e+00 3.70 -9.842975284e-01 -1.495766023e+00 -1.586830342e+00 3.72 -9.622273924e-01 -1.465921535e+00 -1.558808839e+00 3.74 -9.405318328e-01 -1.436455354e+00 -1.530974497e+00 3.76 -9.192121241e-01 -1.407376446e+00 -1.503346373e+00 3.78 -8.982689077e-01 -1.378692617e+00 -1.475941924e+00 3.80 -8.777022414e-01 -1.350410593e+00 -1.448777093e+00 3.82 -8.575116444e-01 -1.322536087e+00 -1.421866408e+00 3.84 -8.376961410e-01 -1.295073875e+00 -1.395223058e+00 3.86 -8.182543007e-01 -1.179933747e+00 -1.368858981e+00 3.88 -7.991842757e-01 -1.156594352e+00 -1.342784933e+00 3.90 -7.804838369e-01 -1.133555006e+00 -1.317010564e+00 3.92 -7.621504065e-01 -1.110821727e+00 -1.291544487e+00 3.94 -7.441810894e-01 -1.088399722e+00 -1.266394336e+00 3.96 -7.265727022e-01 -1.066293448e+00 -1.241566835e+00 3.98 -7.093218002e-01 -1.044506654e+00 -1.217067850e+00 4.00 -6.924247031e-01 -1.023042433e+00 -1.192902444e+00 4.02 -6.758775185e-01 -1.001903263e+00 -1.169074931e+00 4.04 -6.596761642e-01 -9.810910499e-01 -1.145588924e+00 4.06 -6.438163889e-01 -9.606071657e-01 -1.122447377e+00 4.08 -6.282937915e-01 -9.404524874e-01 -1.099652635e+00 4.10 -6.131038391e-01 -9.206274306e-01 -1.077206468e+00 4.12 -5.982418839e-01 -9.011319827e-01 -1.055110118e+00 4.14 -5.837031786e-01 -8.819657343e-01 -1.033364326e+00 4.16 -5.694828912e-01 -8.631279084e-01 -1.011969376e+00 4.18 -5.555761182e-01 -8.446173878e-01 -9.909251193e-01 4.20 -5.419778975e-01 -8.264327415e-01 -9.702310126e-01 4.22 -5.286832198e-01 -8.085722492e-01 -9.498861421e-01 4.24 -5.156870395e-01 -7.910339240e-01 -9.298892526e-01 4.26 -5.029842847e-01 -7.738155346e-01 -9.102387736e-01 4.28 -4.905698665e-01 -7.569146257e-01 -8.909328431e-01 4.30 -4.784386873e-01 -7.403285368e-01 -8.719693313e-01 4.32 -4.665856492e-01 -7.240544208e-01 -8.533458612e-01 4.34 -4.550056606e-01 -7.080892607e-01 -8.350598300e-01 4.36 -4.436936435e-01 -6.924298858e-01 -8.171084277e-01 4.38 -4.326445393e-01 -6.770729864e-01 -7.994886553e-01 4.40 -4.218533146e-01 -6.620151281e-01 -7.821973417e-01 4.42 -4.113149662e-01 -6.472527650e-01 -7.652311600e-01 4.44 -4.010245259e-01 -6.327822520e-01 -7.485866422e-01 4.46 -3.909770649e-01 -6.185998562e-01 -6.884197753e-01 4.48 -3.811676975e-01 -6.047017684e-01 -6.738280980e-01 4.50 -3.715915847e-01 -5.910841124e-01 -6.595013767e-01 4.52 -3.622439375e-01 -5.777429552e-01 -6.454371447e-01 4.54 -3.531200194e-01 -5.646743155e-01 -6.316328140e-01 4.56 -3.442151495e-01 -5.518741724e-01 -6.180856861e-01 4.58 -3.355247045e-01 -5.393384725e-01 -6.047929633e-01 4.60 -3.270441206e-01 -5.270631377e-01 -5.917517585e-01 4.62 -3.187688955e-01 -5.150440719e-01 -5.789591045e-01 4.64 -3.106945899e-01 -5.032771667e-01 -5.664119635e-01 4.66 -3.028168287e-01 -4.917583080e-01 -5.541072346e-01 4.68 -2.951313024e-01 -4.804833807e-01 -5.420417625e-01 4.70 -2.876337678e-01 -4.694482742e-01 -5.302123443e-01 4.72 -2.803200491e-01 -4.586488870e-01 -5.186157364e-01 4.74 -2.731860381e-01 -4.480811305e-01 -5.072486612e-01 4.76 -2.662276952e-01 -4.377409337e-01 -4.961078133e-01 4.78 -2.594410493e-01 -4.276242463e-01 -4.851898646e-01 4.80 -2.528221983e-01 -4.177270424e-01 -4.744914699e-01 4.82 -2.463673092e-01 -4.080453235e-01 -4.640092721e-01 4.84 -2.400726180e-01 -3.985751210e-01 -4.537399062e-01 4.86 -2.339344297e-01 -3.893124995e-01 -4.436800043e-01 4.88 -2.279491179e-01 -3.802535586e-01 -4.338261989e-01 4.90 -2.221131250e-01 -3.713944351e-01 -4.241751271e-01 4.92 -2.164229613e-01 -3.627313054e-01 -4.147234338e-01 4.94 -2.108752051e-01 -3.542603866e-01 -4.054677753e-01 4.96 -2.054665018e-01 -3.459779386e-01 -3.964048215e-01 4.98 -2.001935635e-01 -3.378802654e-01 -3.875312594e-01 5.00 -1.950531688e-01 -3.299637161e-01 -3.788437953e-01 5.02 -1.900421615e-01 -3.222246866e-01 -3.703391572e-01 5.04 -1.851574503e-01 -3.146596197e-01 -3.620140969e-01 5.06 -1.803960083e-01 -3.072650070e-01 -3.538653920e-01 5.08 -1.757548716e-01 -3.000373887e-01 -3.458898475e-01 5.10 -1.712311392e-01 -2.929733547e-01 -3.380842981e-01 5.12 -1.668219719e-01 -2.860695452e-01 -3.304456089e-01 5.14 -1.625245913e-01 -2.793226508e-01 -3.229706771e-01 5.16 -1.059179688e-01 -2.727294129e-01 -3.156564334e-01 5.18 -1.032855266e-01 -2.662866242e-01 -3.084998430e-01 5.20 -1.007173373e-01 -2.599911286e-01 -3.014979062e-01 5.22 -9.821190803e-02 -2.538398213e-01 -2.946476601e-01 5.24 -9.576777613e-02 -2.478296489e-01 -2.879461785e-01 5.26 -9.338350892e-02 -2.419576094e-01 -2.813905732e-01 5.28 -9.105770333e-02 -2.362207520e-01 -2.749779944e-01 5.30 -8.878898551e-02 -2.306161770e-01 -2.687056309e-01 5.32 -8.657601039e-02 -2.251410356e-01 -2.625707112e-01 5.34 -8.441746136e-02 -2.197925295e-01 -2.565705033e-01 5.36 -8.231204976e-02 -2.145679109e-01 -2.507023152e-01 5.38 -8.025851457e-02 -2.094644818e-01 -2.449634950e-01 5.40 -7.825562188e-02 -2.044795939e-01 -2.393514313e-01 5.42 -7.630216456e-02 -1.996106482e-01 -2.338635531e-01 5.44 -7.439696176e-02 -1.948550944e-01 -2.284973298e-01 5.46 -7.253885853e-02 -1.488335143e-01 -2.232502714e-01 5.48 -7.072672533e-02 -1.454132856e-01 -2.181199284e-01 5.50 -6.895945766e-02 -1.420692612e-01 -2.131038918e-01 5.52 -6.723597558e-02 -1.387998617e-01 -2.081997926e-01 5.54 -6.555522330e-02 -1.356035347e-01 -2.034053020e-01 5.56 -6.391616873e-02 -1.324787542e-01 -1.987181313e-01 5.58 -6.231780304e-02 -1.294240208e-01 -1.941360312e-01 5.60 -6.075914029e-02 -1.264378614e-01 -1.896567921e-01 5.62 -5.923921690e-02 -1.235188289e-01 -1.852782434e-01 5.64 -2.836894707e-02 -1.206655022e-01 -1.809982533e-01 5.66 -2.773727762e-02 -1.178764858e-01 -1.768147286e-01 5.68 -2.711923665e-02 -1.151504096e-01 -1.727256145e-01 5.70 -2.651455049e-02 -1.124859290e-01 -1.687288935e-01 5.72 -2.592295000e-02 -1.098817241e-01 -1.648225861e-01 5.74 -2.534417053e-02 -1.073364996e-01 -1.610047494e-01 5.76 -2.477795188e-02 -1.048489849e-01 -1.572734773e-01 5.78 -2.422403828e-02 -1.024179333e-01 -1.536268999e-01 5.80 -2.368217838e-02 -1.000421221e-01 -1.500631832e-01 5.82 -2.315212519e-02 -9.772035210e-02 -1.465805281e-01 5.84 -2.263363604e-02 -9.545144729e-02 -1.431771709e-01 5.86 -2.212647256e-02 -9.323425464e-02 -1.398513820e-01 5.88 -2.163040062e-02 -9.106764377e-02 -1.366014657e-01 5.90 -2.114519032e-02 -8.895050659e-02 -1.334257599e-01 5.92 -2.067061590e-02 -8.688175701e-02 -1.303226355e-01 5.94 -2.020645573e-02 -8.486033061e-02 -1.272904959e-01 5.96 -1.975249225e-02 -8.288518435e-02 -1.243277765e-01 5.98 -1.930851194e-02 -8.095529619e-02 -1.214329443e-01 6.00 -1.887430522e-02 -7.906966483e-02 -1.186044972e-01