# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = Cu3Fe # 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 2024-01-04 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 8.452208531e+02 nan nan 0.90 7.687321892e+02 nan nan 0.92 7.003512619e+02 nan nan 0.94 6.391594342e+02 nan nan 0.96 5.843109290e+02 nan nan 0.98 5.350258236e+02 7.718388576e+02 8.756216709e+02 1.00 4.905914845e+02 7.078177072e+02 8.032686610e+02 1.02 4.503576184e+02 6.499212570e+02 7.376586086e+02 1.04 4.137732004e+02 5.975540128e+02 6.780642644e+02 1.06 3.804396659e+02 5.501744059e+02 6.238374633e+02 1.08 3.500453548e+02 5.072859054e+02 5.744380718e+02 1.10 3.223031826e+02 4.684287520e+02 5.294285545e+02 1.12 2.969569122e+02 4.331734888e+02 4.884132636e+02 1.14 2.737739975e+02 4.011206538e+02 4.510356079e+02 1.16 2.525158883e+02 3.719029936e+02 4.169727079e+02 1.18 2.329761930e+02 3.451854121e+02 3.859264385e+02 1.20 2.149815874e+02 3.206696134e+02 3.576172327e+02 1.22 1.983764892e+02 2.980869307e+02 3.317757905e+02 1.24 1.830181109e+02 2.771748928e+02 3.081466543e+02 1.26 1.687843093e+02 2.577049264e+02 2.864927161e+02 1.28 1.555713331e+02 2.395435594e+02 2.665992534e+02 1.30 1.432794918e+02 2.225780036e+02 2.482574861e+02 1.32 1.318184281e+02 2.067077079e+02 2.312775035e+02 1.34 1.211259660e+02 1.918464840e+02 2.155037715e+02 1.36 1.111521666e+02 1.779240044e+02 2.007921959e+02 1.38 1.018479955e+02 1.648770608e+02 1.870209894e+02 1.40 9.316794897e+01 1.526478124e+02 1.741109101e+02 1.42 8.507293624e+01 1.411817824e+02 1.619958473e+02 1.44 7.752576574e+01 1.304300101e+02 1.506139158e+02 1.46 7.048832552e+01 1.203492362e+02 1.399156794e+02 1.48 6.392710222e+01 1.109017067e+02 1.298545476e+02 1.50 5.781338035e+01 1.020548542e+02 1.203852949e+02 1.52 5.212209405e+01 9.378003566e+01 1.114704756e+02 1.54 4.683192718e+01 8.604979877e+01 1.030793601e+02 1.56 4.192313845e+01 7.883470766e+01 9.518439759e+01 1.58 3.737638693e+01 7.210397263e+01 8.775975716e+01 1.60 3.317212467e+01 6.582820386e+01 8.078016756e+01 1.62 2.929186358e+01 5.998057683e+01 7.422171283e+01 1.64 2.571887539e+01 5.453522367e+01 6.806190870e+01 1.66 2.243809126e+01 4.946668349e+01 6.228084534e+01 1.68 1.943595126e+01 4.475092440e+01 5.686093290e+01 1.70 1.669897821e+01 4.036657347e+01 5.178654849e+01 1.72 1.421356116e+01 3.629429543e+01 4.704336315e+01 1.74 1.196542488e+01 3.251593659e+01 4.261712320e+01 1.76 9.939553339e+00 2.901552905e+01 3.849388440e+01 1.78 8.120725090e+00 2.577953856e+01 3.465962747e+01 1.80 6.494149746e+00 2.279464373e+01 3.109935485e+01 1.82 5.045618986e+00 2.004792825e+01 2.779699517e+01 1.84 3.761445678e+00 1.752711410e+01 2.473688944e+01 1.86 2.628675032e+00 1.522031742e+01 2.190425365e+01 1.88 1.635829355e+00 1.311522972e+01 1.928503082e+01 1.90 7.722602187e-01 1.119906132e+01 1.686555664e+01 1.92 2.759948887e-02 9.459052827e+00 1.463315261e+01 1.94 -6.082174118e-01 7.882574625e+00 1.257720950e+01 1.96 -1.145115924e+00 6.457494995e+00 1.068987277e+01 1.98 -1.593162605e+00 5.172505932e+00 8.963887715e+00 2.00 -1.962660776e+00 4.016828588e+00 7.391930615e+00 2.02 -2.263962912e+00 2.979589548e+00 5.966285340e+00 2.04 -2.507259014e+00 2.050068393e+00 4.679030242e+00 2.06 -2.702586214e+00 1.219457716e+00 3.522413075e+00 2.08 -2.859824298e+00 4.815977965e-01 2.488874698e+00 2.10 -2.988685753e+00 -1.694820622e-01 1.570935508e+00 2.12 -3.097719697e+00 -7.399095686e-01 7.613507140e-01 2.14 -3.190161194e+00 -1.235904216e+00 5.298836906e-02 2.16 -3.267562000e+00 -1.663602421e+00 -5.614500458e-01 2.18 -3.331428320e+00 -2.029009742e+00 -1.089382352e+00 2.20 -3.383107500e+00 -2.337991421e+00 -1.538279783e+00 2.22 -3.423715059e+00 -2.596255344e+00 -1.915830824e+00 2.24 -3.454202075e+00 -2.809392807e+00 -2.230155961e+00 2.26 -3.475487622e+00 -2.982884478e+00 -2.489310684e+00 2.28 -3.488452773e+00 -3.121898883e+00 -2.701035679e+00 2.30 -3.493921891e+00 -3.231618781e+00 -2.872829817e+00 2.32 -3.492718306e+00 -3.317262616e+00 -3.012038410e+00 2.34 -3.485622653e+00 -3.383959863e+00 -3.125914826e+00 2.36 -3.473056005e+00 -3.436657034e+00 -3.221465556e+00 2.38 -3.455363154e+00 -3.478355702e+00 -3.302855604e+00 2.40 -3.432799221e+00 -3.510126212e+00 -3.371549895e+00 2.42 -3.405625755e+00 -3.532876315e+00 -3.428835243e+00 2.44 -3.374172105e+00 -3.547437326e+00 -3.475884543e+00 2.46 -3.338783826e+00 -3.554589573e+00 -3.513754373e+00 2.48 -3.299807613e+00 -3.555073213e+00 -3.543387100e+00 2.50 -3.257588105e+00 -3.549591902e+00 -3.565597307e+00 2.52 -3.212458312e+00 -3.538815256e+00 -3.581061114e+00 2.54 -3.164725446e+00 -3.523352288e+00 -3.590368223e+00 2.56 -3.114660028e+00 -3.503750395e+00 -3.594031700e+00 2.58 -3.062489748e+00 -3.480486714e+00 -3.592503554e+00 2.60 -3.008408584e+00 -3.453991448e+00 -3.586201379e+00 2.62 -2.952590854e+00 -3.424530582e+00 -3.575390286e+00 2.64 -2.895201974e+00 -3.392175579e+00 -3.560185877e+00 2.66 -2.836399523e+00 -3.356943783e+00 -3.540799259e+00 2.68 -2.776325932e+00 -3.318870440e+00 -3.517418044e+00 2.70 -2.715091755e+00 -3.278074006e+00 -3.490219464e+00 2.72 -2.652758294e+00 -3.234718723e+00 -3.459439504e+00 2.74 -2.589335331e+00 -3.188988072e+00 -3.425352683e+00 2.76 -2.524794340e+00 -3.141100088e+00 -3.388251633e+00 2.78 -2.459183674e+00 -3.091358560e+00 -3.348435066e+00 2.80 -2.392688437e+00 -3.040118734e+00 -3.306211146e+00 2.82 -2.325504400e+00 -2.987737970e+00 -3.261891368e+00 2.84 -2.257864854e+00 -2.934558071e+00 -3.215781325e+00 2.86 -2.190048810e+00 -2.880892661e+00 -3.168171536e+00 2.88 -2.122367174e+00 -2.827018871e+00 -3.119327789e+00 2.90 -2.055147050e+00 -2.773101701e+00 -3.069481475e+00 2.92 -1.988719388e+00 -2.719150557e+00 -3.018788987e+00 2.94 -1.923421717e+00 -2.665151221e+00 -2.967289699e+00 2.96 -1.859608302e+00 -2.611082831e+00 -2.914961735e+00 2.98 -1.797619394e+00 -2.556920823e+00 -2.861737944e+00 3.00 -1.737580887e+00 -2.502639308e+00 -2.807515991e+00 3.02 -1.679436931e+00 -2.448212544e+00 -2.752181018e+00 3.04 -1.623130724e+00 -2.393615142e+00 -2.695632500e+00 3.06 -1.568609219e+00 -2.338820725e+00 -2.637817596e+00 3.08 -1.515821381e+00 -2.283799118e+00 -2.578756803e+00 3.10 -1.464717287e+00 -2.228544447e+00 -2.518541898e+00 3.12 -1.415246424e+00 -2.173135399e+00 -2.457389515e+00 3.14 -1.367356324e+00 -2.117659795e+00 -2.395538689e+00 3.16 -1.320991521e+00 -2.062195336e+00 -2.333226987e+00 3.18 -1.276092609e+00 -2.006816034e+00 -2.270685996e+00 3.20 -1.232599296e+00 -1.951601180e+00 -2.208138273e+00 3.22 -1.190482950e+00 -1.896643794e+00 -2.145802659e+00 3.24 -1.149729382e+00 -1.842055745e+00 -2.083902509e+00 3.26 -1.110317944e+00 -1.787968833e+00 -2.022666802e+00 3.28 -1.072220898e+00 -1.734533029e+00 -1.962330238e+00 3.30 -1.035403116e+00 -1.681910938e+00 -1.903133127e+00 3.32 -9.998218698e-01 -1.630290287e+00 -1.845321157e+00 3.34 -9.654267259e-01 -1.579855109e+00 -1.789088620e+00 3.36 -9.321595237e-01 -1.530653941e+00 -1.734434669e+00 3.38 -8.999544309e-01 -1.482698022e+00 -1.681318747e+00 3.40 -8.687380726e-01 -1.435989931e+00 -1.629704065e+00 3.42 -8.384416159e-01 -1.390527239e+00 -1.579557127e+00 3.44 -8.090560689e-01 -1.346304117e+00 -1.530847257e+00 3.46 -7.805890363e-01 -1.303310927e+00 -1.483546076e+00 3.48 -7.530416579e-01 -1.261533815e+00 -1.437626898e+00 3.50 -7.264089363e-01 -1.220954370e+00 -1.393063949e+00 3.52 -7.006801129e-01 -1.181549303e+00 -1.349831309e+00 3.54 -6.758390571e-01 -1.143290002e+00 -1.307901460e+00 3.56 -6.518646637e-01 -1.106142492e+00 -1.267243395e+00 3.58 -6.287312514e-01 -1.070071302e+00 -1.227826156e+00 3.60 -6.064089578e-01 -1.035055042e+00 -1.189639909e+00 3.62 -5.848641283e-01 -1.001072973e+00 -1.152673798e+00 3.64 -5.640595580e-01 -9.680988924e-01 -1.116905526e+00 3.66 -5.439544895e-01 -9.361067142e-01 -1.082301433e+00 3.68 -5.245053256e-01 -9.050805027e-01 -1.048817969e+00 3.70 -5.056660849e-01 -8.750028263e-01 -1.016404196e+00 3.72 -4.873887584e-01 -8.458523540e-01 -9.850046345e-01 3.74 -4.696234397e-01 -8.176014253e-01 -9.545617419e-01 3.76 -4.523187605e-01 -7.902144298e-01 -9.250175233e-01 3.78 -4.354365454e-01 -7.636517508e-01 -8.963144674e-01 3.80 -4.189728506e-01 -7.378702965e-01 -8.683951651e-01 3.82 -4.029295418e-01 -7.128279285e-01 -8.412076328e-01 3.84 -3.873085429e-01 -6.885102284e-01 -8.147441778e-01 3.86 -3.721090910e-01 -6.649133209e-01 -7.890143377e-01 3.88 -3.573224353e-01 -6.420305552e-01 -7.640237176e-01 3.90 -3.429405015e-01 -6.198526229e-01 -7.397731383e-01 3.92 -3.289556144e-01 -5.983677396e-01 -7.162582866e-01 3.94 -3.153623320e-01 -5.775619189e-01 -6.934706759e-01 3.96 -3.021566037e-01 -5.574197016e-01 -6.713984073e-01 3.98 -2.893359270e-01 -5.379239920e-01 -6.500264126e-01 4.00 -2.769013959e-01 -5.190559313e-01 -6.293366806e-01 4.02 -2.648545260e-01 -5.007951531e-01 -6.093084831e-01 4.04 -2.531997583e-01 -4.831199783e-01 -5.899186047e-01 4.06 -2.419449663e-01 -4.660074442e-01 -5.711415121e-01 4.08 -2.310968496e-01 -4.494335523e-01 -5.529492602e-01 4.10 -2.206632915e-01 -4.333732837e-01 -5.353118618e-01 4.12 -2.106534714e-01 -4.178011285e-01 -5.181976439e-01 4.14 -2.010724976e-01 -4.026912169e-01 -5.015733425e-01 4.16 -1.919108693e-01 -3.880176810e-01 -4.854044283e-01 4.18 -1.831606239e-01 -3.737550641e-01 -4.696550695e-01 4.20 -1.748086305e-01 -3.598783169e-01 -4.542883837e-01 4.22 -1.668339078e-01 -3.463674088e-01 -4.392730696e-01 4.24 -1.591347983e-01 -3.332219576e-01 -4.246032485e-01 4.26 -1.516701339e-01 -3.204468366e-01 -4.102796066e-01 4.28 -1.444863894e-01 -3.080496328e-01 -3.963027118e-01 4.30 -1.376164425e-01 -2.960385056e-01 -3.826729176e-01 4.32 -1.310847371e-01 -2.844202990e-01 -3.693857545e-01 4.34 -1.249607760e-01 -2.732015028e-01 -3.564324669e-01 4.36 -1.191990645e-01 -2.623865688e-01 -3.438048020e-01 4.38 -1.134933176e-01 -2.519763105e-01 -3.314937763e-01 4.40 -1.075948522e-01 -2.419696117e-01 -3.194910457e-01 4.42 -1.013190325e-01 -2.323600303e-01 -3.077884239e-01 4.44 -9.454332782e-02 -2.231387219e-01 -2.963768120e-01 4.46 -8.720422984e-02 -2.142949659e-01 -2.852482833e-01 4.48 -7.929292949e-02 -2.058135681e-01 -2.743949414e-01 4.50 -7.111932501e-02 -1.976676943e-01 -2.638073544e-01 4.52 -6.302046350e-02 -1.898317057e-01 -2.534777542e-01 4.54 -5.526421933e-02 -1.822812003e-01 -2.433991311e-01 4.56 -4.805195324e-02 -1.749908494e-01 -2.335624657e-01 4.58 -4.151846217e-02 -1.679375701e-01 -2.239601036e-01 4.60 -3.573559693e-02 -1.610494859e-01 -2.145866139e-01 4.62 -3.071993999e-02 -1.543048381e-01 -2.054371582e-01 4.64 -2.644367552e-02 -1.477317572e-01 -1.965015478e-01 4.66 -2.284698047e-02 -1.413509751e-01 -1.877704077e-01 4.68 -1.985010991e-02 -1.351782217e-01 -1.792406942e-01 4.70 -1.736378155e-02 -1.292257808e-01 -1.709097678e-01 4.72 -1.529826190e-02 -1.235042008e-01 -1.627746503e-01 4.74 -1.357432646e-02 -1.180741627e-01 -1.547643906e-01 4.76 -1.212262603e-02 -1.128747648e-01 -1.468796695e-01 4.78 -1.088314412e-02 -1.077902832e-01 -1.391776833e-01 4.80 -9.805865215e-03 -1.027265331e-01 -1.317064299e-01 4.82 -8.850638137e-03 -9.760776265e-02 -1.245066333e-01 4.84 -7.986512287e-03 -9.237408481e-02 -1.176175554e-01 4.86 -7.190763478e-03 -8.697970347e-02 -1.111369932e-01 4.88 -6.447773836e-03 -8.139179956e-02 -1.049178386e-01 4.90 -5.747885406e-03 -7.559003715e-02 -9.876000501e-02 4.92 -5.086306343e-03 -6.954933754e-02 -9.250375026e-02 4.94 -4.462030529e-03 -6.330508588e-02 -8.602825580e-02 4.96 -3.876107312e-03 -5.698334540e-02 -7.925392355e-02 4.98 -3.330014448e-03 -5.070194837e-02 -7.214052293e-02 5.00 -2.825316259e-03 -4.456885003e-02 -6.466198655e-02 5.02 -2.363533837e-03 -3.868183033e-02 -5.697457854e-02 5.04 -1.945984658e-03 -3.312541389e-02 -4.934935192e-02 5.06 -1.573600405e-03 -2.796713145e-02 -4.201010508e-02 5.08 -1.246739647e-03 -2.325935995e-02 -3.513573624e-02 5.10 -9.650184356e-04 -1.903823364e-02 -2.885920497e-02 5.12 -7.271852958e-04 -1.532267583e-02 -2.326739088e-02 5.14 -5.310653899e-04 -1.211438248e-02 -1.840326177e-02 5.16 -3.735909021e-04 -9.398904434e-03 -1.427048720e-02 5.18 -2.509216075e-04 -7.147765316e-03 -1.084008968e-02 5.20 -1.586440618e-04 -5.321366903e-03 -8.058319269e-03 5.22 -9.202388270e-05 -3.872321170e-03 -5.854782376e-03 5.24 -4.627704416e-05 -2.748827613e-03 -4.149959115e-03 5.26 -1.682510231e-05 -1.897772408e-03 -2.861521718e-03 5.28 4.945145252e-07 -1.268417743e-03 -1.910825613e-03 5.30 9.281042941e-06 -8.163964948e-04 -1.229318843e-03 5.32 1.249132089e-05 -5.024884174e-04 -7.567835876e-04 5.34 1.242409711e-05 -2.928230130e-04 -4.415477581e-04 5.36 1.075564585e-05 -1.591342227e-04 -2.407206567e-04 5.38 8.611550637e-06 -7.862822322e-05 -1.198580052e-04 5.40 6.659768298e-06 -3.357682384e-05 -5.224956346e-05 5.42 5.212477507e-06 -1.073898990e-05 -1.798508760e-05 5.44 4.327564168e-06 -6.958086617e-07 -2.918890601e-06 5.46 3.903980505e-06 2.836068041e-06 2.379092792e-06 5.48 3.768074977e-06 3.667560786e-06 3.626341083e-06 5.50 3.750080614e-06 3.749612555e-06 3.749418832e-06 5.52 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.54 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.56 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.58 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.60 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.62 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.64 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.66 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.68 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.70 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.72 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.74 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.76 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.78 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.80 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.82 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.84 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.86 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.88 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.90 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.92 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.94 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.96 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.98 3.750000000e-06 3.750000000e-06 3.750000000e-06 6.00 3.750000000e-06 3.750000000e-06 3.750000000e-06