# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Al-Co # implementation = EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000 # composition = Al2Co # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 1.947821623e+03 1.32 1.519013074e+03 1.34 1.296381483e+03 1.36 1.170572527e+03 1.38 1.071037411e+03 1.40 9.774560799e+02 1.42 8.897923822e+02 1.44 8.080274068e+02 1.46 7.320600133e+02 1.48 6.617887411e+02 1.50 5.970211573e+02 1.52 5.374747599e+02 1.54 4.828274083e+02 1.56 4.327572044e+02 1.58 3.869598998e+02 1.60 3.451525310e+02 1.62 3.070658482e+02 1.64 2.724330597e+02 1.66 2.409859330e+02 1.68 2.124623243e+02 1.70 1.866146449e+02 1.72 1.632172674e+02 1.74 1.420718573e+02 1.76 1.230080589e+02 1.78 1.058766071e+02 1.80 9.054254678e+01 1.82 7.688125135e+01 1.84 6.477188501e+01 1.86 5.409344733e+01 1.88 4.472750708e+01 1.90 3.655984806e+01 1.92 2.948149666e+01 1.94 2.338921008e+01 1.96 1.818552000e+01 1.98 1.377882839e+01 2.00 1.008322179e+01 2.02 7.017882482e+00 2.04 4.506972059e+00 2.06 2.479919499e+00 2.08 8.710574206e-01 2.10 -3.809291489e-01 2.12 -1.333815827e+00 2.14 -2.041508894e+00 2.16 -2.554201541e+00 2.18 -2.917352838e+00 2.20 -3.170246108e+00 2.22 -3.345797789e+00 2.24 -3.470419678e+00 2.26 -3.563090959e+00 2.28 -3.636427623e+00 2.30 -3.697511254e+00 2.32 -3.748664611e+00 2.34 -3.790187600e+00 2.36 -3.822556515e+00 2.38 -3.846497118e+00 2.40 -3.862789813e+00 2.42 -3.871960670e+00 2.44 -3.874286495e+00 2.46 -3.869844338e+00 2.48 -3.858810823e+00 2.50 -3.841467948e+00 2.52 -3.818107703e+00 2.54 -3.789007770e+00 2.56 -3.754412221e+00 2.58 -3.714580305e+00 2.60 -3.669826852e+00 2.62 -3.620511533e+00 2.64 -3.566946405e+00 2.66 -3.509420334e+00 2.68 -3.448223394e+00 2.70 -3.383655551e+00 2.72 -3.316046969e+00 2.74 -3.245772815e+00 2.76 -3.173258452e+00 2.78 -3.099003297e+00 2.80 -3.023548946e+00 2.82 -2.947454343e+00 2.84 -2.871301146e+00 2.86 -2.795678971e+00 2.88 -2.721155174e+00 2.90 -2.648289122e+00 2.92 -2.577587240e+00 2.94 -2.509455318e+00 2.96 -2.444198651e+00 2.98 -2.382032511e+00 3.00 -2.323092626e+00 3.02 -2.267439002e+00 3.04 -2.215055133e+00 3.06 -2.165800201e+00 3.08 -2.119314103e+00 3.10 -2.075222681e+00 3.12 -2.033186765e+00 3.14 -1.992896422e+00 3.16 -1.954069370e+00 3.18 -1.916459342e+00 3.20 -1.879836375e+00 3.22 -1.843922626e+00 3.24 -1.808364386e+00 3.26 -1.772772276e+00 3.28 -1.736725379e+00 3.30 -1.699749806e+00 3.32 -1.661301561e+00 3.34 -1.620779846e+00 3.36 -1.577863523e+00 3.38 -1.533619162e+00 3.40 -1.490996251e+00 3.42 -1.452226071e+00 3.44 -1.416981572e+00 3.46 -1.384042112e+00 3.48 -1.352385414e+00 3.50 -1.322037911e+00 3.52 -1.296376546e+00 3.54 -1.278361653e+00 3.56 -1.265474756e+00 3.58 -1.255200833e+00 3.60 -1.246372254e+00 3.62 -1.238447702e+00 3.64 -1.231152489e+00 3.66 -1.224331672e+00 3.68 -1.217883191e+00 3.70 -1.211726878e+00 3.72 -1.205802649e+00 3.74 -1.200065187e+00 3.76 -1.194472549e+00 3.78 -1.188986253e+00 3.80 -1.183571685e+00 3.82 -1.178197988e+00 3.84 -1.172837404e+00 3.86 -1.167464532e+00 3.88 -1.162062768e+00 3.90 -1.156623464e+00 3.92 -1.151138191e+00 3.94 -1.145598930e+00 3.96 -1.139997420e+00 3.98 -1.134323542e+00 4.00 -1.128564593e+00 4.02 -1.122711369e+00 4.04 -1.116752717e+00 4.06 -1.110677099e+00 4.08 -1.104477996e+00 4.10 -1.098158067e+00 4.12 -1.091720508e+00 4.14 -1.085168077e+00 4.16 -1.078503088e+00 4.18 -1.071727410e+00 4.20 -1.064842461e+00 4.22 -1.057849202e+00 4.24 -1.050748122e+00 4.26 -1.043539235e+00 4.28 -1.036221683e+00 4.30 -1.028792665e+00 4.32 -1.021248572e+00 4.34 -1.013585530e+00 4.36 -1.005804045e+00 4.38 -9.979091979e-01 4.40 -9.899059884e-01 4.42 -9.817991025e-01 4.44 -9.735929024e-01 4.46 -9.652914122e-01 4.48 -9.568983069e-01 4.50 -9.484169037e-01 4.52 -9.398487367e-01 4.54 -9.311855579e-01 4.56 -9.224149038e-01 4.58 -9.135239116e-01 4.60 -9.044993336e-01 4.62 -8.953275359e-01 4.64 -8.859945092e-01 4.66 -8.764858778e-01 4.68 -8.667869218e-01 4.70 -8.568826043e-01 4.72 -8.467576142e-01 4.74 -8.363964182e-01 4.76 -8.257833395e-01 4.78 -8.149026555e-01 4.80 -8.037387303e-01 4.82 -7.922761868e-01 4.84 -7.805001259e-01 4.86 -7.683964099e-01 4.88 -7.559520155e-01 4.90 -7.431554602e-01 4.92 -7.299973174e-01 4.94 -7.164707970e-01 4.96 -7.025723791e-01 4.98 -6.883024457e-01 5.00 -6.736658366e-01 5.02 -6.586721423e-01 5.04 -6.433355331e-01 5.06 -6.276747090e-01 5.08 -6.117121858e-01 5.10 -5.954730654e-01 5.12 -5.789834987e-01 5.14 -5.622691031e-01 5.16 -5.453536487e-01 5.18 -5.282582935e-01 5.20 -5.110015488e-01 5.22 -4.935999582e-01 5.24 -4.760693329e-01 5.26 -4.584262561e-01 5.28 -4.406895679e-01 5.30 -4.228815989e-01 5.32 -4.050290032e-01 5.34 -3.871631493e-01 5.36 -3.693200671e-01 5.38 -3.515400662e-01 5.40 -3.338670664e-01 5.42 -3.163477114e-01 5.44 -2.990303489e-01 5.46 -2.819640770e-01 5.48 -2.651992153e-01 5.50 -2.487854827e-01 5.52 -2.327703802e-01 5.54 -2.171987173e-01 5.56 -2.021120001e-01 5.58 -1.875483928e-01 5.60 -1.735417058e-01 5.62 -1.601212135e-01 5.64 -1.473090926e-01 5.66 -1.351223450e-01 5.68 -1.235726807e-01 5.70 -1.126753550e-01 5.72 -1.024403443e-01 5.74 -9.287004653e-02 5.76 -8.392633561e-02 5.78 -7.557315784e-02 5.80 -6.779471222e-02 5.82 -6.068371360e-02 5.84 -5.428199798e-02 5.86 -4.857297801e-02 5.88 -4.326067847e-02 5.90 -3.819029630e-02 5.92 -3.325252351e-02 5.94 -2.848691264e-02 5.96 -2.409461714e-02 5.98 -2.017303070e-02 6.00 -1.668787035e-02