# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Bonny-G-Pasianot-R-C-Castin-N-Malerba-L--Fe-Cu-Ni # implementation = 2009--Bonny-G--Fe-Cu-Ni--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 2022-05-24 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 7.763691745e+02 nan nan 0.92 7.071258008e+02 nan nan 0.94 6.451459872e+02 nan nan 0.96 5.895767711e+02 nan nan 0.98 5.396319031e+02 nan nan 1.00 4.945936028e+02 7.147435908e+02 8.113380092e+02 1.02 4.538073338e+02 6.561135364e+02 7.449367358e+02 1.04 4.167181661e+02 6.030703175e+02 6.846151595e+02 1.06 3.829234670e+02 5.550671375e+02 6.297194641e+02 1.08 3.521075921e+02 5.116032179e+02 5.797043248e+02 1.10 3.239799244e+02 4.722151524e+02 5.341275740e+02 1.12 2.982810656e+02 4.364699296e+02 4.925892688e+02 1.14 2.747803209e+02 4.039646931e+02 4.547288315e+02 1.16 2.532655182e+02 3.743292390e+02 4.202195872e+02 1.18 2.335244676e+02 3.472259701e+02 3.887598295e+02 1.20 2.153733038e+02 3.223542180e+02 3.600665227e+02 1.22 1.986477739e+02 2.994430296e+02 3.338670274e+02 1.24 1.831978875e+02 2.782299594e+02 3.099035304e+02 1.26 1.688959370e+02 2.585097423e+02 2.879372124e+02 1.28 1.556336547e+02 2.401482300e+02 2.677517585e+02 1.30 1.433077232e+02 2.230237981e+02 2.491540642e+02 1.32 1.318248569e+02 2.070286379e+02 2.319643758e+02 1.34 1.211204679e+02 1.920704480e+02 2.160202069e+02 1.36 1.111426323e+02 1.780736989e+02 2.011715681e+02 1.38 1.018405660e+02 1.649709736e+02 1.872913691e+02 1.40 9.316369140e+01 1.527009342e+02 1.742959057e+02 1.42 8.507095024e+01 1.412062453e+02 1.621153743e+02 1.44 7.752518343e+01 1.304356474e+02 1.506846658e+02 1.46 7.048831005e+01 1.203440438e+02 1.399515111e+02 1.48 6.392710222e+01 1.108922124e+02 1.298668738e+02 1.50 5.781338035e+01 1.020464138e+02 1.203834702e+02 1.52 5.212209405e+01 9.377473392e+01 1.114621370e+02 1.54 4.683192718e+01 8.604685474e+01 1.030706920e+02 1.56 4.192313845e+01 7.883336815e+01 9.517875446e+01 1.58 3.737638693e+01 7.210353634e+01 8.775654850e+01 1.60 3.317212467e+01 6.582817017e+01 8.077869857e+01 1.62 2.929186358e+01 5.998057683e+01 7.422130642e+01 1.64 2.571887539e+01 5.453522367e+01 6.806190412e+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 2.759948886e-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 7.613507141e-01 2.14 -3.190161194e+00 -1.235904216e+00 5.298836908e-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 -1.464717286e+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 -2.083902508e+00 3.26 -1.110317943e+00 -1.787968833e+00 -2.022666802e+00 3.28 -1.072220898e+00 -1.734533029e+00 -1.962330238e+00 3.30 -1.035403115e+00 -1.681910937e+00 -1.903133127e+00 3.32 -9.998218692e-01 -1.630290287e+00 -1.845321157e+00 3.34 -9.654267256e-01 -1.579855109e+00 -1.789088620e+00 3.36 -9.321595231e-01 -1.530653941e+00 -1.734434669e+00 3.38 -8.999544299e-01 -1.482698022e+00 -1.681318747e+00 3.40 -8.687380724e-01 -1.435989931e+00 -1.629704065e+00 3.42 -8.384416153e-01 -1.390527239e+00 -1.579557127e+00 3.44 -8.090560672e-01 -1.346304117e+00 -1.530847257e+00 3.46 -7.805890341e-01 -1.303310927e+00 -1.483546076e+00 3.48 -7.530416556e-01 -1.261533815e+00 -1.437626897e+00 3.50 -7.264089340e-01 -1.220954369e+00 -1.393063949e+00 3.52 -7.006801104e-01 -1.181549303e+00 -1.349831309e+00 3.54 -6.758390538e-01 -1.143290002e+00 -1.307901460e+00 3.56 -6.518646589e-01 -1.106142491e+00 -1.267243395e+00 3.58 -6.287312455e-01 -1.070071302e+00 -1.227826155e+00 3.60 -6.064089529e-01 -1.035055041e+00 -1.189639909e+00 3.62 -5.848641274e-01 -1.001072973e+00 -1.152673798e+00 3.64 -5.640595579e-01 -9.680988921e-01 -1.116905526e+00 3.66 -5.439544801e-01 -9.361067132e-01 -1.082301433e+00 3.68 -5.245053144e-01 -9.050805019e-01 -1.048817969e+00 3.70 -5.056660875e-01 -8.750028261e-01 -1.016404195e+00 3.72 -4.873887450e-01 -8.458523539e-01 -9.850046343e-01 3.74 -4.696234243e-01 -8.176014246e-01 -9.545617416e-01 3.76 -4.523187628e-01 -7.902144286e-01 -9.250175222e-01 3.78 -4.354365128e-01 -7.636517492e-01 -8.963144665e-01 3.80 -4.189728618e-01 -7.378702947e-01 -8.683951647e-01 3.82 -4.029294955e-01 -7.128279269e-01 -8.412076327e-01 3.84 -3.873085621e-01 -6.885102275e-01 -8.147441777e-01 3.86 -3.721090249e-01 -6.649133211e-01 -7.890143374e-01 3.88 -3.573224674e-01 -6.420305547e-01 -7.640237173e-01 3.90 -3.429404151e-01 -6.198526186e-01 -7.397731381e-01 3.92 -3.289556198e-01 -5.983677324e-01 -7.162582867e-01 3.94 -3.153623113e-01 -5.775619155e-01 -6.934706756e-01 3.96 -3.021564730e-01 -5.574197023e-01 -6.713984051e-01 3.98 -2.893360764e-01 -5.379239819e-01 -6.500264077e-01 4.00 -2.769012455e-01 -5.190559229e-01 -6.293366758e-01 4.02 -2.648543951e-01 -5.007951545e-01 -6.093084821e-01 4.04 -2.532001646e-01 -4.831199595e-01 -5.899186039e-01 4.06 -2.419448479e-01 -4.660074435e-01 -5.711415031e-01 4.08 -2.310965891e-01 -4.494335357e-01 -5.529492550e-01 4.10 -2.206642419e-01 -4.333732702e-01 -5.353118620e-01 4.12 -2.106548090e-01 -4.178011156e-01 -5.181976294e-01 4.14 -2.010717335e-01 -4.026911942e-01 -5.015733412e-01 4.16 -1.919122431e-01 -3.880176622e-01 -4.854044166e-01 4.18 -1.831666037e-01 -3.737550458e-01 -4.696550571e-01 4.20 -1.748159782e-01 -3.598782687e-01 -4.542883774e-01 4.22 -1.668338124e-01 -3.463674363e-01 -4.392730478e-01 4.24 -1.591862711e-01 -3.332218598e-01 -4.246032420e-01 4.26 -1.518342373e-01 -3.204468870e-01 -4.102795812e-01 4.28 -1.447388464e-01 -3.080495467e-01 -3.963026905e-01 4.30 -1.378585915e-01 -2.960384138e-01 -3.826729109e-01 4.32 -1.311604423e-01 -2.844204650e-01 -3.693856936e-01 4.34 -1.246143321e-01 -2.732013008e-01 -3.564325027e-01 4.36 -1.181900849e-01 -2.623864965e-01 -3.438047170e-01 4.38 -1.118794292e-01 -2.519767397e-01 -3.314937560e-01 4.40 -1.056309453e-01 -2.419694259e-01 -3.194910947e-01 4.42 -9.938683720e-02 -2.323597815e-01 -3.077882733e-01 4.44 -9.333130936e-02 -2.231396168e-01 -2.963768401e-01 4.46 -8.763820316e-02 -2.142963931e-01 -2.852484130e-01 4.48 -8.246362709e-02 -2.058130594e-01 -2.743947009e-01 4.50 -7.726435873e-02 -1.976679230e-01 -2.638073502e-01 4.52 -7.152350915e-02 -1.898355754e-01 -2.534781899e-01 4.54 -6.499155063e-02 -1.822884355e-01 -2.433989731e-01 4.56 -5.764999549e-02 -1.749973637e-01 -2.335621581e-01 4.58 -5.002554193e-02 -1.679370346e-01 -2.239608105e-01 4.60 -4.275369955e-02 -1.610858225e-01 -2.145880951e-01 4.62 -3.620795483e-02 -1.544242379e-01 -2.054371471e-01 4.64 -3.055559946e-02 -1.479366942e-01 -1.965013018e-01 4.66 -2.581883778e-02 -1.416092705e-01 -1.877735707e-01 4.68 -2.193016271e-02 -1.354289905e-01 -1.792477074e-01 4.70 -1.877606809e-02 -1.293876826e-01 -1.709165185e-01 4.72 -1.622834303e-02 -1.234795238e-01 -1.627741170e-01 4.74 -1.416747240e-02 -1.176945366e-01 -1.548138579e-01 4.76 -1.248821395e-02 -1.120263476e-01 -1.470292696e-01 4.78 -1.110096562e-02 -1.064739720e-01 -1.394159706e-01 4.80 -9.932238009e-03 -1.010374417e-01 -1.319669564e-01 4.82 -8.923778940e-03 -9.568162807e-02 -1.246784290e-01 4.84 -8.031039533e-03 -9.037083114e-02 -1.175498364e-01 4.86 -7.221404923e-03 -8.517113867e-02 -1.105729383e-01 4.88 -6.472393939e-03 -8.014233170e-02 -1.037479523e-01 4.90 -5.769934003e-03 -7.533627848e-02 -9.708342328e-02 4.92 -5.106771121e-03 -7.084085270e-02 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