# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Pt-Co # implementation = 2017--Kim-J-S--Pt-Co--LAMMPS--ipr1 # composition = CoPt3 # 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 1.612995400e+03 nan nan 0.86 1.492070679e+03 nan nan 0.88 1.379932236e+03 nan nan 0.90 1.275952750e+03 nan nan 0.92 1.179549169e+03 1.227041004e+03 nan 0.94 1.090179614e+03 1.144642986e+03 1.536153693e+03 0.96 1.007340499e+03 1.067544454e+03 1.435828376e+03 0.98 9.305638506e+02 9.954137112e+02 1.341771470e+03 1.00 8.594148090e+02 9.279394162e+02 1.253603304e+03 1.02 7.934893101e+02 8.648293514e+02 1.170966629e+03 1.04 7.324119238e+02 8.058092677e+02 1.093525325e+03 1.06 6.758338451e+02 7.506217970e+02 1.020963175e+03 1.08 6.234310235e+02 6.990254296e+02 9.529827162e+02 1.10 5.749024241e+02 6.507935527e+02 8.893041494e+02 1.12 5.299684090e+02 6.057135467e+02 8.296643156e+02 1.14 4.883692323e+02 5.635859357e+02 7.738157279e+02 1.16 4.498636392e+02 5.242235883e+02 7.215256598e+02 1.18 4.142275640e+02 4.874509670e+02 6.725752849e+02 1.20 3.812529181e+02 4.531034221e+02 6.267588659e+02 1.22 3.507464632e+02 4.210265287e+02 5.838829903e+02 1.24 3.225287632e+02 3.910754625e+02 5.437658489e+02 1.26 2.964332095e+02 3.631144141e+02 5.062365569e+02 1.28 2.723051144e+02 3.370160380e+02 4.711345127e+02 1.30 2.500008681e+02 3.126609351e+02 4.383087942e+02 1.32 2.293871545e+02 2.899371659e+02 4.076175897e+02 1.34 2.103402227e+02 2.687397936e+02 3.789276613e+02 1.36 1.927452089e+02 2.489704545e+02 3.521138398e+02 1.38 1.764955059e+02 2.305369541e+02 3.270585477e+02 1.40 1.614921777e+02 2.133528886e+02 3.036513509e+02 1.42 1.476434144e+02 1.973372877e+02 2.817885354e+02 1.44 1.348640255e+02 1.824142806e+02 2.613727091e+02 1.46 1.230749697e+02 1.685127813e+02 2.423124264e+02 1.48 1.122029166e+02 1.555661930e+02 2.245218346e+02 1.50 1.021798401e+02 1.435121313e+02 2.079203409e+02 1.52 9.294264037e+01 1.322921630e+02 1.924322986e+02 1.54 8.443279233e+01 1.218515616e+02 1.779867122e+02 1.56 7.659601882e+01 1.121390776e+02 1.645169586e+02 1.58 6.938198714e+01 1.031067223e+02 1.519605256e+02 1.60 6.274402688e+01 9.470956558e+01 1.402587651e+02 1.62 5.663886778e+01 8.690554514e+01 1.293566612e+02 1.64 5.102639606e+01 7.965528810e+01 1.192026113e+02 1.66 4.586942806e+01 7.292194311e+01 1.097482207e+02 1.68 4.113349995e+01 6.667102288e+01 1.009481087e+02 1.70 3.678667228e+01 6.087025635e+01 9.275972643e+01 1.72 3.279934844e+01 5.548944986e+01 8.514318567e+01 1.74 2.914410605e+01 5.050035693e+01 7.806109702e+01 1.76 2.579554025e+01 4.587655597e+01 7.147841835e+01 1.78 2.273011820e+01 4.159333556e+01 6.536231190e+01 1.80 1.992604393e+01 3.762758676e+01 5.968200987e+01 1.82 1.736313279e+01 3.395770210e+01 5.440868806e+01 1.84 1.502269485e+01 3.056348073e+01 4.951534696e+01 1.86 1.288742664e+01 2.742603953e+01 4.497669996e+01 1.88 1.094131065e+01 2.452772963e+01 4.076906823e+01 1.90 9.169521887e+00 2.185205814e+01 3.687028179e+01 1.92 7.558341282e+00 1.938361474e+01 3.325958663e+01 1.94 6.095075155e+00 1.710800280e+01 2.991755730e+01 1.96 4.767980525e+00 1.501177481e+01 2.682601478e+01 1.98 3.566195747e+00 1.308237177e+01 2.396794925e+01 2.00 2.479676132e+00 1.130806644e+01 2.132744756e+01 2.02 1.499134188e+00 9.677910077e+00 1.888962503e+01 2.04 6.159841587e-01 8.181682476e+00 1.664056138e+01 2.06 -1.777094515e-01 6.809845201e+00 1.456724053e+01 2.08 -8.892796437e-01 5.553497694e+00 1.265749407e+01 2.10 -1.525501249e+00 4.404336148e+00 1.089994813e+01 2.12 -2.092632055e+00 3.354614970e+00 9.283973468e+00 2.14 -2.596450963e+00 2.397110660e+00 7.799638653e+00 2.16 -3.042293390e+00 1.525087962e+00 6.437666038e+00 2.18 -3.435084103e+00 7.322681561e-01 5.189390462e+00 2.20 -3.779367684e+00 1.279934532e-02 4.046720467e+00 2.22 -4.079336779e+00 -6.387713759e-01 3.002101889e+00 2.24 -4.338858302e+00 -1.227523991e+00 2.048483693e+00 2.26 -4.561497737e+00 -1.758189978e+00 1.179285899e+00 2.28 -4.750541665e+00 -2.235175176e+00 3.883694936e-01 2.30 -4.909018664e+00 -2.662581199e+00 -3.299918031e-01 2.32 -5.039718672e+00 -3.044225478e+00 -9.811380282e-01 2.34 -5.145210953e+00 -3.383660039e+00 -1.570047820e+00 2.36 -5.227860739e+00 -3.684189063e+00 -2.101361722e+00 2.38 -5.289844662e+00 -3.948885339e+00 -2.579404038e+00 2.40 -5.333165058e+00 -4.180605650e+00 -3.008203319e+00 2.42 -5.359663224e+00 -4.382005176e+00 -3.391511582e+00 2.44 -5.371031696e+00 -4.555550974e+00 -3.732822313e+00 2.46 -5.368825642e+00 -4.703534580e+00 -4.035387351e+00 2.48 -5.354473405e+00 -4.828083806e+00 -4.302232706e+00 2.50 -5.329286277e+00 -4.931173775e+00 -4.536173381e+00 2.52 -5.294467559e+00 -5.014637231e+00 -4.739827265e+00 2.54 -5.251120953e+00 -5.080174191e+00 -4.915628137e+00 2.56 -5.200259287e+00 -5.129360967e+00 -5.065837853e+00 2.58 -5.142820600e+00 -5.163658596e+00 -5.192557760e+00 2.60 -5.079649356e+00 -5.184420725e+00 -5.297739380e+00 2.62 -5.011495387e+00 -5.192900977e+00 -5.383194412e+00 2.64 -4.939091061e+00 -5.190259842e+00 -5.450604096e+00 2.66 -4.863087176e+00 -5.177571106e+00 -5.501527980e+00 2.68 -4.784078739e+00 -5.155827862e+00 -5.537412117e+00 2.70 -4.702609537e+00 -5.125948132e+00 -5.559596742e+00 2.72 -4.619176370e+00 -5.088780106e+00 -5.569323444e+00 2.74 -4.534232985e+00 -5.045107045e+00 -5.567741885e+00 2.76 -4.448193722e+00 -4.995651853e+00 -5.555916076e+00 2.78 -4.361436906e+00 -4.941081352e+00 -5.534830243e+00 2.80 -4.274307996e+00 -4.882010268e+00 -5.505394319e+00 2.82 -4.187122512e+00 -4.819004956e+00 -5.468449071e+00 2.84 -4.100168764e+00 -4.752586877e+00 -5.424770889e+00 2.86 -4.013710385e+00 -4.683235835e+00 -5.375076269e+00 2.88 -3.927988698e+00 -4.611393015e+00 -5.320025990e+00 2.90 -3.843224919e+00 -4.537463798e+00 -5.260229023e+00 2.92 -3.759622209e+00 -4.461820406e+00 -5.196246180e+00 2.94 -3.677367587e+00 -4.384804359e+00 -5.128593513e+00 2.96 -3.596633708e+00 -4.306728770e+00 -5.057745499e+00 2.98 -3.517580513e+00 -4.227880491e+00 -4.984138001e+00 3.00 -3.440356749e+00 -4.148522110e+00 -4.908171037e+00 3.02 -3.365101356e+00 -4.068893820e+00 -4.830211360e+00 3.04 -3.291944721e+00 -3.989215161e+00 -4.750594865e+00 3.06 -3.221009780e+00 -3.909686643e+00 -4.669628832e+00 3.08 -3.152412948e+00 -3.830491272e+00 -4.587594020e+00 3.10 -3.086264854e+00 -3.751795964e+00 -4.504746614e+00 3.12 -3.022670842e+00 -3.673752871e+00 -4.421320643e+00 3.14 -2.961731188e+00 -3.596500624e+00 -4.337594203e+00 3.16 -2.903540973e+00 -3.520165489e+00 -4.254047542e+00 3.18 -2.848189535e+00 -3.444862452e+00 -4.170763464e+00 3.20 -2.795759401e+00 -3.370696234e+00 -4.086935569e+00 3.22 -2.746324607e+00 -3.297762239e+00 -4.003396847e+00 3.24 -2.699948265e+00 -3.226147446e+00 -3.920289514e+00 3.26 -2.656679270e+00 -3.155931238e+00 -3.837729017e+00 3.28 -2.616548014e+00 -3.087186183e+00 -3.755818716e+00 3.30 -2.579561015e+00 -3.019978757e+00 -3.674650831e+00 3.32 -2.545694411e+00 -2.954370026e+00 -3.594307323e+00 3.34 -2.514886358e+00 -2.890416275e+00 -3.514860714e+00 3.36 -2.487028509e+00 -2.828169587e+00 -3.436374844e+00 3.38 -2.461956934e+00 -2.767678375e+00 -3.358905578e+00 3.40 -2.439443083e+00 -2.708987864e+00 -3.282501463e+00 3.42 -2.419185698e+00 -2.652140510e+00 -3.207204329e+00 3.44 -2.400804836e+00 -2.597176367e+00 -3.133049856e+00 3.46 -2.383839467e+00 -2.544133374e+00 -3.060068095e+00 3.48 -2.367750186e+00 -2.493047563e+00 -2.988283949e+00 3.50 -2.351928501e+00 -2.443953175e+00 -2.917717619e+00 3.52 -2.335713739e+00 -2.396882654e+00 -2.848385024e+00 3.54 -2.318417825e+00 -2.351866512e+00 -2.780298177e+00 3.56 -2.299357083e+00 -2.308933026e+00 -2.713465541e+00 3.58 -2.277888894e+00 -2.268107748e+00 -2.647892357e+00 3.60 -2.253396875e+00 -2.229412777e+00 -2.583580948e+00 3.62 -2.215660981e+00 -2.192865783e+00 -2.520530991e+00 3.64 -2.109254571e+00 -2.158478707e+00 -2.458739785e+00 3.66 -1.899971117e+00 -2.126256137e+00 -2.398202476e+00 3.68 -1.801246506e+00 -2.096193301e+00 -2.338912286e+00 3.70 -1.755186325e+00 -2.068273675e+00 -2.280860710e+00 3.72 -1.705307364e+00 -2.042466204e+00 -2.224037700e+00 3.74 -1.652073587e+00 -2.018722170e+00 -2.168431840e+00 3.76 -1.596031325e+00 -1.996971794e+00 -2.114030496e+00 3.78 -1.537775736e+00 -1.977120700e+00 -2.060819967e+00 3.80 -1.477921060e+00 -1.959046479e+00 -2.008785613e+00 3.82 -1.417077338e+00 -1.942590077e+00 -1.957911976e+00 3.84 -1.355834647e+00 -1.927088725e+00 -1.908182891e+00 3.86 -1.294754355e+00 -1.910205007e+00 -1.859581591e+00 3.88 -1.234365534e+00 -1.889736305e+00 -1.812090792e+00 3.90 -1.175163894e+00 -1.872346409e+00 -1.765692785e+00 3.92 -1.117610459e+00 -1.861152814e+00 -1.720369511e+00 3.94 -1.062121530e+00 -1.849949433e+00 -1.676102628e+00 3.96 -1.003888880e+00 -1.838398193e+00 -1.632873578e+00 3.98 -9.074548452e-01 -1.826166764e+00 -1.590663646e+00 4.00 -7.441707050e-01 -1.812943011e+00 -1.549454008e+00 4.02 -3.397167798e-01 -1.798449843e+00 -1.509225784e+00 4.04 -2.586023596e-01 -1.782459107e+00 -1.469960076e+00 4.06 -2.515688735e-01 -1.764803132e+00 -1.431638011e+00 4.08 -2.447219284e-01 -1.745382640e+00 -1.394240773e+00 4.10 -2.380564411e-01 -1.724170131e+00 -1.357749634e+00 4.12 -2.315674782e-01 -1.701208308e+00 -1.322145984e+00 4.14 -2.252502512e-01 -1.676603713e+00 -1.287411354e+00 4.16 -2.191001134e-01 -1.650516287e+00 -1.253527439e+00 4.18 -2.131125549e-01 -1.623146013e+00 -1.220476117e+00 4.20 -2.072831987e-01 -1.594718043e+00 -1.188239466e+00 4.22 -2.016077972e-01 -1.565467777e+00 -1.156799781e+00 4.24 -1.960822274e-01 -1.535627220e+00 -1.126139582e+00 4.26 -1.907024876e-01 -1.505413653e+00 -1.096241633e+00 4.28 -1.854646935e-01 -1.475021276e+00 -1.067088943e+00 4.30 -1.803650741e-01 -1.444616066e+00 -1.038664783e+00 4.32 -1.753999684e-01 -1.414333743e+00 -1.010952684e+00 4.34 -1.705658217e-01 -1.384280380e+00 -9.839364498e-01 4.36 -1.658591822e-01 -1.354535047e+00 -9.576001563e-01 4.38 -1.612766974e-01 -1.325153742e+00 -9.319281584e-01 4.40 -1.568151111e-01 -1.296173913e+00 -9.069050904e-01 4.42 -1.520722220e-01 -1.264459130e+00 -8.798597944e-01 4.44 -1.420714470e-01 -1.190243917e+00 -8.178077183e-01 4.46 -1.146580984e-01 -9.736451480e-01 -6.432001974e-01 4.48 -5.809502534e-02 -5.072000856e-01 -3.005316628e-01 4.50 -6.448484980e-23 -2.936947511e-22 -2.593191952e-22 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 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