# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuPd3 # 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 8.450927206e+02 nan nan 0.88 7.638289832e+02 nan nan 0.90 6.913272591e+02 nan nan 0.92 6.265460819e+02 nan nan 0.94 5.685754935e+02 nan nan 0.96 5.166192120e+02 7.610324556e+02 8.629537558e+02 0.98 4.699834993e+02 6.944133035e+02 7.884045194e+02 1.00 4.280604718e+02 6.343483958e+02 7.210717796e+02 1.02 3.903176763e+02 5.801181087e+02 6.601841459e+02 1.04 3.562861374e+02 5.310953937e+02 6.050553186e+02 1.06 3.255556056e+02 4.867254330e+02 5.550853331e+02 1.08 2.977625795e+02 4.465117952e+02 5.097338932e+02 1.10 2.725903253e+02 4.100204844e+02 4.685306156e+02 1.12 2.497555789e+02 3.768636710e+02 4.310494126e+02 1.14 2.290118433e+02 3.466959212e+02 3.969155885e+02 1.16 2.101389080e+02 3.192115166e+02 3.657941560e+02 1.18 1.929448015e+02 2.941410303e+02 3.373832617e+02 1.20 1.772585535e+02 2.712431910e+02 3.114184891e+02 1.22 1.629272026e+02 2.503015873e+02 2.876614826e+02 1.24 1.498168134e+02 2.311264034e+02 2.658974144e+02 1.26 1.378082770e+02 2.135464409e+02 2.459372857e+02 1.28 1.267953575e+02 1.974095928e+02 2.276111515e+02 1.30 1.166825546e+02 1.825782363e+02 2.107648886e+02 1.32 1.073870047e+02 1.689321911e+02 1.952623374e+02 1.34 9.883345410e+01 1.563628456e+02 1.809809698e+02 1.36 9.095432691e+01 1.447722568e+02 1.678104236e+02 1.38 8.368878558e+01 1.340721867e+02 1.556506069e+02 1.40 7.698386907e+01 1.241846810e+02 1.444126514e+02 1.42 7.079107768e+01 1.150388569e+02 1.340169456e+02 1.44 6.506650958e+01 1.065721393e+02 1.243903862e+02 1.46 5.977052639e+01 9.872706300e+01 1.154680734e+02 1.48 5.486744161e+01 9.145174022e+01 1.071906110e+02 1.50 5.032548142e+01 8.469950680e+01 9.950497009e+01 1.52 4.611531138e+01 7.842794020e+01 9.236411572e+01 1.54 4.221139130e+01 7.259792766e+01 8.572425478e+01 1.56 3.858966851e+01 6.717474137e+01 7.954573010e+01 1.58 3.522818287e+01 6.212710677e+01 7.379169050e+01 1.60 3.210613344e+01 5.742711301e+01 6.843008511e+01 1.62 2.920632359e+01 5.304848076e+01 6.343091200e+01 1.64 2.650963684e+01 4.896714909e+01 5.876764602e+01 1.66 2.399659863e+01 4.516123102e+01 5.441543486e+01 1.68 2.167016773e+01 4.161061206e+01 5.035146985e+01 1.70 1.950311212e+01 3.829686587e+01 4.655481770e+01 1.72 1.748615552e+01 3.520309264e+01 4.300650390e+01 1.74 1.561046229e+01 3.231375236e+01 3.968901293e+01 1.76 1.386766030e+01 2.961183025e+01 3.658609040e+01 1.78 1.225034642e+01 2.708961043e+01 3.368229080e+01 1.80 1.075160434e+01 2.472726754e+01 3.096449396e+01 1.82 9.364582965e+00 2.252086490e+01 2.841796783e+01 1.84 8.082708802e+00 2.046030671e+01 2.603747606e+01 1.86 6.899506099e+00 1.853134063e+01 2.379883469e+01 1.88 5.809095520e+00 1.672681384e+01 2.171244398e+01 1.90 4.805700287e+00 1.503996537e+01 1.975496406e+01 1.92 3.884045808e+00 1.346462892e+01 1.791960446e+01 1.94 3.038901852e+00 1.199479625e+01 1.619999988e+01 1.96 2.265162801e+00 1.062482714e+01 1.459014935e+01 1.98 1.558138039e+00 9.349253414e+00 1.308436717e+01 2.00 9.138590014e-01 8.162915755e+00 1.167725110e+01 2.02 3.285854909e-01 7.060924976e+00 1.036267492e+01 2.04 -2.022507444e-01 6.038573513e+00 9.136302817e+00 2.06 -6.823730895e-01 5.091126050e+00 7.993857994e+00 2.08 -1.115299844e+00 4.214123737e+00 6.930808951e+00 2.10 -1.504351955e+00 3.403860965e+00 5.942807448e+00 2.12 -1.852657766e+00 2.655951991e+00 5.025692561e+00 2.14 -2.162234486e+00 1.966931099e+00 4.175485054e+00 2.16 -2.436727405e+00 1.333287131e+00 3.388383097e+00 2.18 -2.679469916e+00 7.520206460e-01 2.660620045e+00 2.20 -2.892305184e+00 2.201544071e-01 1.988825948e+00 2.22 -3.077156808e+00 -2.659444709e-01 1.369635215e+00 2.24 -3.236544744e+00 -7.091653126e-01 7.999786304e-01 2.26 -3.372513175e+00 -1.112248750e+00 2.773578251e-01 2.28 -3.487405615e+00 -1.477792212e+00 -2.016497162e-01 2.30 -3.582527798e+00 -1.808311774e+00 -6.397194363e-01 2.32 -3.659651870e+00 -2.105605107e+00 -1.039392544e+00 2.34 -3.720408403e+00 -2.372078860e+00 -1.403080818e+00 2.36 -3.765995186e+00 -2.610069047e+00 -1.733071494e+00 2.38 -3.797731203e+00 -2.821545534e+00 -2.031539724e+00 2.40 -3.816636232e+00 -3.008369256e+00 -2.300524012e+00 2.42 -3.824146566e+00 -3.171953890e+00 -2.541939561e+00 2.44 -3.821341517e+00 -3.314310404e+00 -2.757630080e+00 2.46 -3.809227238e+00 -3.436997068e+00 -2.949337528e+00 2.48 -3.788784894e+00 -3.541541334e+00 -3.118577294e+00 2.50 -3.760979050e+00 -3.629467678e+00 -3.267166469e+00 2.52 -3.726448477e+00 -3.701849958e+00 -3.396439853e+00 2.54 -3.685921710e+00 -3.759903560e+00 -3.507783415e+00 2.56 -3.639419686e+00 -3.804766535e+00 -3.602499944e+00 2.58 -3.588199071e+00 -3.837465066e+00 -3.681816664e+00 2.60 -3.532935218e+00 -3.859138139e+00 -3.746888913e+00 2.62 -3.474163780e+00 -3.870815859e+00 -3.798803665e+00 2.64 -3.412374548e+00 -3.873193388e+00 -3.838582305e+00 2.66 -3.348290366e+00 -3.867330367e+00 -3.867348959e+00 2.68 -3.282301437e+00 -3.853976782e+00 -3.885668708e+00 2.70 -3.214504283e+00 -3.833601549e+00 -3.894561848e+00 2.72 -3.145267657e+00 -3.806872376e+00 -3.894820303e+00 2.74 -3.074230512e+00 -3.774411798e+00 -3.887187635e+00 2.76 -3.001237851e+00 -3.736804667e+00 -3.872359996e+00 2.78 -2.927959565e+00 -3.695101566e+00 -3.850988645e+00 2.80 -2.854421582e+00 -3.649586895e+00 -3.823682351e+00 2.82 -2.780828859e+00 -3.600391871e+00 -3.791009518e+00 2.84 -2.707948706e+00 -3.547945607e+00 -3.753500375e+00 2.86 -2.636406404e+00 -3.492649718e+00 -3.711351652e+00 2.88 -2.565516185e+00 -3.434876370e+00 -3.666111660e+00 2.90 -2.495107907e+00 -3.374970017e+00 -3.617420695e+00 2.92 -2.425308712e+00 -3.313249053e+00 -3.565670097e+00 2.94 -2.356232432e+00 -3.250007125e+00 -3.511227491e+00 2.96 -2.288224657e+00 -3.185536136e+00 -3.454434320e+00 2.98 -2.221112036e+00 -3.119670189e+00 -3.395607350e+00 3.00 -2.154972543e+00 -3.051359725e+00 -3.335040125e+00 3.02 -2.089874046e+00 -2.982515347e+00 -3.273004314e+00 3.04 -2.025875291e+00 -2.913608790e+00 -3.209735272e+00 3.06 -1.963025568e+00 -2.844858922e+00 -3.145490045e+00 3.08 -1.901367043e+00 -2.776156064e+00 -3.080378710e+00 3.10 -1.840945251e+00 -2.707645325e+00 -3.014472870e+00 3.12 -1.781764792e+00 -2.639454970e+00 -2.948196591e+00 3.14 -1.723824954e+00 -2.571700751e+00 -2.881704885e+00 3.16 -1.667097909e+00 -2.504486805e+00 -2.815152415e+00 3.18 -1.611557176e+00 -2.437906494e+00 -2.748677386e+00 3.20 -1.557285347e+00 -2.372043214e+00 -2.682405658e+00 3.22 -1.504356157e+00 -2.306971170e+00 -2.616451576e+00 3.24 -1.452767863e+00 -2.242748700e+00 -2.550918751e+00 3.26 -1.402510356e+00 -2.180309890e+00 -2.485900812e+00 3.28 -1.353558666e+00 -2.119101083e+00 -2.421482056e+00 3.30 -1.305903895e+00 -2.058837157e+00 -2.357738082e+00 3.32 -1.259546017e+00 -1.999559082e+00 -2.294736452e+00 3.34 -1.214375779e+00 -1.941300781e+00 -2.232537375e+00 3.36 -1.170266329e+00 -1.884097528e+00 -2.171193984e+00 3.38 -1.127159397e+00 -1.827976449e+00 -2.110752899e+00 3.40 -1.085151247e+00 -1.772932448e+00 -2.051255146e+00 3.42 -1.044348230e+00 -1.718966645e+00 -1.992735554e+00 3.44 -1.004815032e+00 -1.666049417e+00 -1.935223052e+00 3.46 -9.665113703e-01 -1.614161955e+00 -1.878752758e+00 3.48 -9.293935462e-01 -1.563373048e+00 -1.823335083e+00 3.50 -8.934284700e-01 -1.513745496e+00 -1.768971555e+00 3.52 -8.585869685e-01 -1.465284158e+00 -1.715897073e+00 3.54 -8.248307303e-01 -1.417979660e+00 -1.663831871e+00 3.56 -7.921367038e-01 -1.371808321e+00 -1.612772328e+00 3.58 -7.604891597e-01 -1.326763470e+00 -1.562792060e+00 3.60 -7.298728779e-01 -1.282848754e+00 -1.513934591e+00 3.62 -7.002713758e-01 -1.240002187e+00 -1.466197336e+00 3.64 -6.715780015e-01 -1.198111032e+00 -1.419572136e+00 3.66 -6.437506645e-01 -1.157094772e+00 -1.374037628e+00 3.68 -6.168282193e-01 -1.116983067e+00 -1.329587512e+00 3.70 -5.908365031e-01 -1.077873085e+00 -1.286225784e+00 3.72 -5.657902399e-01 -1.039842013e+00 -1.243893637e+00 3.74 -5.416949254e-01 -1.002916801e+00 -1.202482985e+00 3.76 -5.185484402e-01 -9.670517096e-01 -1.162311870e+00 3.78 -4.964185051e-01 -9.322145620e-01 -1.123230048e+00 3.80 -4.752711247e-01 -8.983793141e-01 -1.085076125e+00 3.82 -4.549198494e-01 -8.655226403e-01 -1.047924396e+00 3.84 -4.352202409e-01 -8.336173397e-01 -1.011812670e+00 3.86 -4.160643050e-01 -8.026412277e-01 -9.767030642e-01 3.88 -3.973732547e-01 -7.725812735e-01 -9.425650397e-01 3.90 -3.790914921e-01 -7.434253770e-01 -9.093750482e-01 3.92 -3.611816248e-01 -7.151616080e-01 -8.771128403e-01 3.94 -3.436203570e-01 -6.877388137e-01 -8.457552012e-01 3.96 -3.263951197e-01 -6.610827030e-01 -8.152797658e-01 3.98 -3.095013231e-01 -6.351976765e-01 -7.856740278e-01 4.00 -2.929226350e-01 -6.101119329e-01 -7.569275840e-01 4.02 -2.766082802e-01 -5.858441805e-01 -7.290302097e-01 4.04 -2.606347813e-01 -5.624050794e-01 -7.019623452e-01 4.06 -2.450790207e-01 -5.397985171e-01 -6.756433209e-01 4.08 -2.299983121e-01 -5.180297581e-01 -6.500462455e-01 4.10 -2.154338217e-01 -4.971543164e-01 -6.251962846e-01 4.12 -2.014134552e-01 -4.771207388e-01 -6.011154729e-01 4.14 -1.879542917e-01 -4.578024113e-01 -5.778179025e-01 4.16 -1.750646297e-01 -4.390755011e-01 -5.553109213e-01 4.18 -1.627457042e-01 -4.208452431e-01 -5.335961796e-01 4.20 -1.509931229e-01 -4.030405852e-01 -5.126944079e-01 4.22 -1.397980651e-01 -3.856096697e-01 -4.926417919e-01 4.24 -1.291482799e-01 -3.685160337e-01 -4.733628340e-01 4.26 -1.190289113e-01 -3.517353011e-01 -4.547306690e-01 4.28 -1.094231819e-01 -3.352307136e-01 -4.366393900e-01 4.30 -1.003129529e-01 -3.194329330e-01 -4.190078258e-01 4.32 -9.166842083e-02 -3.040954578e-01 -4.017750497e-01 4.34 -8.432738203e-02 -2.889961638e-01 -3.848965738e-01 4.36 -7.783146877e-02 -2.741628171e-01 -3.683411346e-01 4.38 -7.167180816e-02 -2.596294436e-01 -3.520879886e-01 4.40 -6.583283135e-02 -2.454527098e-01 -3.361246464e-01 4.42 -6.024864448e-02 -2.316772491e-01 -3.204449846e-01 4.44 -5.587069391e-02 -2.183359890e-01 -3.050438893e-01 4.46 -5.217431759e-02 -2.054520895e-01 -2.898823272e-01 4.48 -4.865404189e-02 -1.930406015e-01 -2.749847537e-01 4.50 -4.531578449e-02 -1.811098804e-01 -2.603869100e-01 4.52 -4.215075175e-02 -1.696627895e-01 -2.461447429e-01 4.54 -3.915038601e-02 -1.586977224e-01 -2.323022729e-01 4.56 -3.630648629e-02 -1.482094690e-01 -2.188921020e-01 4.58 -3.361120542e-02 -1.381921841e-01 -2.059372814e-01 4.60 -3.105704465e-02 -1.291020782e-01 -1.934529100e-01 4.62 -2.863684632e-02 -1.208871636e-01 -1.814475018e-01 4.64 -2.634378496e-02 -1.130525287e-01 -1.699241539e-01 4.66 -2.417135738e-02 -1.055855475e-01 -1.588815403e-01 4.68 -2.211337185e-02 -9.847319201e-02 -1.483147572e-01 4.70 -2.016393688e-02 -9.170220582e-02 -1.382160390e-01 4.72 -1.831744967e-02 -8.525924739e-02 -1.285753637e-01 4.74 -1.656234337e-02 -7.913100784e-02 -1.193809635e-01 4.76 -1.547576431e-02 -7.330430576e-02 -1.106197523e-01 4.78 -1.444925683e-02 -6.776616400e-02 -1.022776842e-01 4.80 -1.347280531e-02 -6.250387042e-02 -9.434005144e-02 4.82 -1.254407223e-02 -5.750502518e-02 -8.679173199e-02 4.84 -1.166082233e-02 -5.275757680e-02 -7.961739251e-02 4.86 -1.082091874e-02 -4.824984854e-02 -7.280165468e-02 4.88 -1.002231908e-02 -4.397055736e-02 -6.632923059e-02 4.90 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-5.171182121e-03 5.26 -5.563340017e-04 -2.234544938e-03 -3.353303086e-03 5.28 -2.710630801e-04 -1.087956645e-03 -1.632290788e-03 5.30 -5.264041527e-16 -1.707171293e-15 -1.986125148e-15 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 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