# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Zhou-X-W-Ward-D-K-Foster-M-E--C-Cu # implementation = 2015--Zhou-X-W--C-Cu--LAMMPS--ipr1 # composition = C3Cu # 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 2.00 3.174571730e+01 6.047682484e+01 7.210336632e+01 2.02 2.940759074e+01 5.606675128e+01 6.684043585e+01 2.04 2.722263458e+01 5.228808375e+01 6.256430225e+01 2.06 2.493497909e+01 4.887785329e+01 5.855594709e+01 2.08 2.307058878e+01 4.570217184e+01 5.480498098e+01 2.10 2.134332319e+01 4.232308286e+01 5.080790424e+01 2.12 1.974299204e+01 3.958070415e+01 4.758286100e+01 2.14 1.825979006e+01 3.693588168e+01 4.457521195e+01 2.16 nan 3.425545542e+01 4.135425880e+01 2.18 nan 3.201122369e+01 3.874907585e+01 2.20 nan 2.984756589e+01 3.630493874e+01 2.22 nan 2.787865190e+01 3.400672609e+01 2.24 nan 2.577175287e+01 3.152506394e+01 2.26 nan 2.405307800e+01 8.879041985e+03 2.28 nan 2.243561953e+01 2.759121312e+01 2.30 nan 2.087373522e+01 2.579407322e+01 2.32 nan 1.928270719e+01 2.385954345e+01 2.34 nan 1.791679262e+01 2.228924599e+01 2.36 nan 1.666851858e+01 2.082340582e+01 2.38 6.732890431e+00 1.536436169e+01 1.925199099e+01 2.40 6.160346848e+00 1.425031607e+01 1.797681851e+01 2.42 5.628406371e+00 1.323538602e+01 1.677782379e+01 2.44 5.136446847e+00 1.226521910e+01 1.564700454e+01 2.46 4.681620859e+00 1.128001406e+01 1.442781765e+01 2.48 4.261276124e+00 1.046044310e+01 1.343488980e+01 2.50 3.872945631e+00 9.678019385e+00 1.250440731e+01 2.52 3.470590835e+00 8.964697560e+00 1.163244892e+01 2.54 3.142901170e+00 8.221771080e+00 1.069989768e+01 2.56 2.840575172e+00 7.591907661e+00 9.941800771e+00 2.58 2.561783673e+00 7.017542353e+00 9.231756176e+00 2.60 2.304825688e+00 6.470822338e+00 8.566786460e+00 2.62 2.068119557e+00 5.916104781e+00 7.856431092e+00 2.64 1.850194647e+00 5.459698647e+00 7.278143120e+00 2.66 1.649683652e+00 5.027095426e+00 6.737689144e+00 2.68 1.442684069e+00 4.585235436e+00 6.161484078e+00 2.70 1.275096553e+00 4.212806408e+00 5.694305166e+00 2.72 1.121239257e+00 3.872920491e+00 5.257970487e+00 2.74 9.801004871e-01 3.562110452e+00 4.850545965e+00 2.76 8.507400161e-01 3.236610310e+00 4.416454264e+00 2.78 7.322841135e-01 2.978286476e+00 4.065072899e+00 2.80 6.239209349e-01 2.733822275e+00 3.737263585e+00 2.82 5.248962107e-01 2.508279889e+00 3.431539753e+00 2.84 4.233301168e-01 2.266813944e+00 3.106097562e+00 2.86 3.419069205e-01 2.059985090e+00 2.843168631e+00 2.88 2.678487252e-01 1.866690860e+00 2.598222165e+00 2.90 2.031867300e-01 1.662623951e+00 2.337702782e+00 2.92 1.480091079e-01 1.496759922e+00 2.127585395e+00 2.94 1.004866106e-01 1.343067082e+00 1.932090903e+00 2.96 5.871279184e-02 1.200733707e+00 1.750284488e+00 2.98 2.091333101e-02 1.052940943e+00 1.557200208e+00 3.00 -1.978471363e-02 9.322250582e-01 1.402215382e+00 3.02 -5.364847226e-02 8.206613946e-01 1.263897792e+00 3.04 -8.654298092e-02 7.176322604e-01 1.141797773e+00 3.06 -1.176500780e-01 6.107268126e-01 1.015073118e+00 3.08 -1.453857443e-01 5.239282450e-01 9.172822594e-01 3.10 -1.699900561e-01 4.439850276e-01 8.262889064e-01 3.12 -1.917195306e-01 3.704278203e-01 7.395789196e-01 3.14 -2.108117045e-01 2.941928155e-01 6.423991355e-01 3.16 -2.274864778e-01 2.327690163e-01 5.605772875e-01 3.18 -2.419473680e-01 1.764558651e-01 4.808828520e-01 3.20 -2.543826750e-01 1.181737675e-01 3.968629290e-01 3.22 -2.649665638e-01 7.156173259e-02 3.294423990e-01 3.24 -2.738600751e-01 2.902597855e-02 2.673181503e-01 3.26 -2.812120618e-01 -9.721856531e-03 2.101381872e-01 3.28 -2.871600629e-01 -4.971851037e-02 1.504214619e-01 3.30 -2.918311153e-01 -8.128705347e-02 1.027514244e-01 3.32 -2.953425076e-01 -1.098503815e-01 5.905623480e-02 3.34 -2.978024840e-01 -1.356263060e-01 1.906654443e-02 3.36 -2.993108960e-01 -1.627980476e-01 -2.343985568e-02 3.38 -2.999598113e-01 -1.840410873e-01 -5.742795234e-02 3.40 -2.998340762e-01 -2.029428352e-01 -8.823468093e-02 3.42 -2.990118427e-01 -2.196828774e-01 -1.160889854e-01 3.44 -2.975650550e-01 -2.344284425e-01 -1.412047337e-01 3.46 -2.955599046e-01 -2.473352164e-01 -1.637816728e-01 3.48 -2.930572503e-01 -2.585481032e-01 -1.840063256e-01 3.50 -2.901130114e-01 -2.682019376e-01 -2.020528307e-01 3.52 -2.867785321e-01 -2.764221508e-01 -2.180837309e-01 3.54 -2.831009186e-01 -2.833253940e-01 -2.322507118e-01 3.56 -2.791233547e-01 -2.890201201e-01 -2.446952955e-01 3.58 -2.748853934e-01 -2.936071293e-01 -2.555494884e-01 3.60 -2.704232286e-01 -2.971800779e-01 -2.649363910e-01 3.62 -2.657699467e-01 -2.998259549e-01 -2.729707696e-01 3.64 -2.609557609e-01 -3.016255271e-01 -2.797595891e-01 3.66 -2.560082284e-01 -3.026537565e-01 -2.854025170e-01 3.68 -2.509524522e-01 -3.029801880e-01 -2.899923913e-01 3.70 -2.458112684e-01 -3.026693151e-01 -2.936156628e-01 3.72 -2.406054204e-01 -3.017809185e-01 -2.963528063e-01 3.74 -2.353537191e-01 -3.003703856e-01 -2.982787102e-01 3.76 -2.300731935e-01 -2.984890069e-01 -2.994630358e-01 3.78 -2.247792299e-01 -2.961842535e-01 -2.999705596e-01 3.80 -2.194856991e-01 -2.935000381e-01 -2.998614903e-01 3.82 -2.142050774e-01 -2.904769564e-01 -2.991917685e-01 3.84 -2.089485569e-01 -2.871525141e-01 -2.980133435e-01 3.86 -2.037261472e-01 -2.835613394e-01 -2.963744387e-01 3.88 -1.985467717e-01 -2.797353801e-01 -2.943197939e-01 3.90 -1.934183551e-01 -2.757040889e-01 -2.918908957e-01 3.92 -1.883479047e-01 -2.714945960e-01 -2.891261934e-01 3.94 -1.833415871e-01 -2.671318704e-01 -2.860612995e-01 3.96 -1.784047973e-01 -2.626388709e-01 -2.827291790e-01 3.98 -1.735422235e-01 -2.580366865e-01 -2.791603254e-01 4.00 -1.687579073e-01 -2.533446672e-01 -2.753829268e-01 4.02 -1.640552988e-01 -2.485805476e-01 -2.714230195e-01 4.04 -1.594373082e-01 -2.437605613e-01 -2.673046346e-01 4.06 -1.549063535e-01 -2.388995465e-01 -2.630499314e-01 4.08 -1.504644031e-01 -2.340110479e-01 -2.586793271e-01 4.10 -1.461130176e-01 -2.291074072e-01 -2.542116126e-01 4.12 -1.418533867e-01 -2.241998522e-01 -2.496640659e-01 4.14 -1.376863628e-01 -2.192985766e-01 -2.450525551e-01 4.16 -1.336124944e-01 -2.144128152e-01 -2.403916352e-01 4.18 -1.296320541e-01 -2.095509156e-01 -2.356946403e-01 4.20 -1.257450664e-01 -2.047204028e-01 -2.309737674e-01 4.22 -1.219513319e-01 -1.999280405e-01 -2.262401563e-01 4.24 -1.182504510e-01 -1.951798894e-01 -2.215039650e-01 4.26 -1.146418449e-01 -1.904813589e-01 -2.167744378e-01 4.28 -1.111247742e-01 -1.858372566e-01 -2.120599700e-01 4.30 -1.076983575e-01 -1.812518364e-01 -2.073681707e-01 4.32 -1.043615876e-01 -1.767288386e-01 -2.027059170e-01 4.34 -1.011133469e-01 -1.722715329e-01 -1.980794092e-01 4.36 -9.795241991e-02 -1.678827531e-01 -1.934942184e-01 4.38 -9.487750774e-02 -1.635649334e-01 -1.889553335e-01 4.40 -9.188723766e-02 -1.593201398e-01 -1.844672047e-01 4.42 -8.898017545e-02 -1.551501008e-01 -1.800337836e-01 4.44 -8.615483427e-02 -1.510562345e-01 -1.756585601e-01 4.46 -8.340968261e-02 -1.470396751e-01 -1.713445980e-01 4.48 -8.074315397e-02 -1.431012966e-01 -1.670945679e-01 4.50 -7.815365312e-02 -1.391593397e-01 -1.629107770e-01 4.52 -7.563956304e-02 -1.345863335e-01 -1.587951980e-01 4.54 -7.319925060e-02 -1.293637331e-01 -1.547494959e-01 4.56 -7.083107275e-02 -1.236560492e-01 -1.507750516e-01 4.58 -6.853338087e-02 -1.176483437e-01 -1.468729862e-01 4.60 -6.630452499e-02 -1.115341662e-01 -1.430441817e-01 4.62 -6.414285829e-02 -1.055038001e-01 -1.392893006e-01 4.64 -6.204262457e-02 -9.973348259e-02 -1.356088049e-01 4.66 -5.908774110e-02 -9.437615889e-02 -1.320029740e-01 4.68 -5.472001577e-02 -8.955420319e-02 -1.284719195e-01 4.70 -4.921531860e-02 -8.535439693e-02 -1.250156003e-01 4.72 -4.289433800e-02 -8.182530309e-02 -1.216338373e-01 4.74 -3.610278411e-02 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