# 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 = AuCu3 # 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 3.247284134e+02 nan nan 0.92 2.942985310e+02 nan nan 0.94 2.669384305e+02 nan nan 0.96 2.423067413e+02 nan nan 0.98 2.201143011e+02 3.261272280e+02 nan 1.00 2.000976214e+02 2.980841777e+02 3.389785294e+02 1.02 1.820263987e+02 2.726519476e+02 3.108416945e+02 1.04 1.656919093e+02 2.495652141e+02 2.852252826e+02 1.06 1.509253561e+02 2.285810693e+02 2.618738192e+02 1.08 1.375601360e+02 2.094954450e+02 2.405646633e+02 1.10 1.254537383e+02 1.921229042e+02 2.210996693e+02 1.12 1.144809193e+02 1.762943671e+02 2.033065924e+02 1.14 1.045277446e+02 1.618560189e+02 1.870298556e+02 1.16 9.549660922e+01 1.486755076e+02 1.721276638e+02 1.18 8.729489896e+01 1.366383819e+02 1.584773563e+02 1.20 7.983773535e+01 1.256385674e+02 1.459694719e+02 1.22 7.305039174e+01 1.155746592e+02 1.344982878e+02 1.24 6.686997867e+01 1.063662713e+02 1.239770097e+02 1.26 6.123527193e+01 9.793297196e+01 1.143205724e+02 1.28 5.608950220e+01 9.020512752e+01 1.054544193e+02 1.30 5.139104843e+01 8.311791890e+01 9.730491403e+01 1.32 4.709651780e+01 7.661097367e+01 8.981541007e+01 1.34 4.316710853e+01 7.063434509e+01 8.292846475e+01 1.36 3.956405279e+01 6.514001879e+01 7.659150773e+01 1.38 3.625933253e+01 6.008337758e+01 7.075469979e+01 1.40 3.322625488e+01 5.542948613e+01 6.537352504e+01 1.42 3.044075193e+01 5.114295488e+01 6.041380233e+01 1.44 2.787912172e+01 4.719009555e+01 5.583704076e+01 1.46 2.552188155e+01 4.353982564e+01 5.161143812e+01 1.48 2.334920946e+01 4.016805895e+01 4.770961296e+01 1.50 2.134797130e+01 3.705359627e+01 4.410348817e+01 1.52 1.950289521e+01 3.417443599e+01 4.076794072e+01 1.54 1.780045193e+01 3.150996567e+01 3.768196640e+01 1.56 1.623046634e+01 2.904408744e+01 3.482436171e+01 1.58 1.478065719e+01 2.676061402e+01 3.217451499e+01 1.60 1.344287541e+01 2.464485645e+01 2.971769307e+01 1.62 1.220582830e+01 2.268317679e+01 2.743944473e+01 1.64 1.101804222e+01 2.086336784e+01 2.532556052e+01 1.66 9.935523125e+00 1.917331453e+01 2.336153790e+01 1.68 8.907505579e+00 1.760328661e+01 2.153579983e+01 1.70 7.933186105e+00 1.614697047e+01 1.983921891e+01 1.72 7.010954373e+00 1.479415588e+01 1.826214751e+01 1.74 6.139415312e+00 1.352438942e+01 1.679689985e+01 1.76 5.316533474e+00 1.235281340e+01 1.543278902e+01 1.78 4.541227963e+00 1.125621981e+01 1.416422206e+01 1.80 3.812999597e+00 1.020211325e+01 1.298488456e+01 1.82 3.129380727e+00 9.230480083e+00 1.188856233e+01 1.84 2.489580306e+00 8.306743319e+00 1.082089633e+01 1.86 1.892967644e+00 7.429132100e+00 9.845328684e+00 1.88 1.337722243e+00 6.596269973e+00 8.914267234e+00 1.90 8.222544926e-01 5.807019306e+00 8.026337770e+00 1.92 3.449393076e-01 5.059958669e+00 7.182195720e+00 1.94 -9.587149381e-02 4.352779027e+00 6.380562744e+00 1.96 -5.018373157e-01 3.685897080e+00 5.620258657e+00 1.98 -8.746491711e-01 3.057114163e+00 4.900160300e+00 2.00 -1.215940227e+00 2.465800396e+00 4.219170698e+00 2.02 -1.527284111e+00 1.911262151e+00 3.576194729e+00 2.04 -1.808120822e+00 1.392236429e+00 2.969398761e+00 2.06 -2.062504420e+00 9.074413545e-01 2.398478462e+00 2.08 -2.292137353e+00 4.555795222e-01 1.862318177e+00 2.10 -2.498244675e+00 3.534305184e-02 1.359705097e+00 2.12 -2.682535666e+00 -3.545807013e-01 8.892375174e-01 2.14 -2.846294505e+00 -7.154937126e-01 4.499994488e-01 2.16 -2.990552902e+00 -1.049218397e+00 4.076573869e-02 2.18 -3.117027710e+00 -1.356611595e+00 -3.396901554e-01 2.20 -3.226574092e+00 -1.638249134e+00 -6.925907869e-01 2.22 -3.320550579e+00 -1.895258101e+00 -1.019583609e+00 2.24 -3.400310946e+00 -2.129040081e+00 -1.322373824e+00 2.26 -3.465472414e+00 -2.341517700e+00 -1.601138973e+00 2.28 -3.517890652e+00 -2.533833502e+00 -1.855317129e+00 2.30 -3.558676077e+00 -2.707099259e+00 -2.087705949e+00 2.32 -3.588725312e+00 -2.862328617e+00 -2.299711653e+00 2.34 -3.608886467e+00 -3.000586244e+00 -2.492389510e+00 2.36 -3.619960322e+00 -3.122915409e+00 -2.666767310e+00 2.38 -3.622701906e+00 -3.230289677e+00 -2.823823390e+00 2.40 -3.617729893e+00 -3.323644453e+00 -2.964463607e+00 2.42 -3.605783703e+00 -3.403908821e+00 -3.089694965e+00 2.44 -3.587646631e+00 -3.471837755e+00 -3.200421805e+00 2.46 -3.563767604e+00 -3.527743073e+00 -3.297515135e+00 2.48 -3.534816432e+00 -3.572882122e+00 -3.382027592e+00 2.50 -3.501606218e+00 -3.608676863e+00 -3.455360091e+00 2.52 -3.464140647e+00 -3.635304685e+00 -3.517073717e+00 2.54 -3.422879342e+00 -3.653445627e+00 -3.567620346e+00 2.56 -3.378239647e+00 -3.663733684e+00 -3.608386748e+00 2.58 -3.330604795e+00 -3.666726151e+00 -3.640044982e+00 2.60 -3.278691040e+00 -3.664694904e+00 -3.663233071e+00 2.62 -3.223790845e+00 -3.656887472e+00 -3.678557796e+00 2.64 -3.166989360e+00 -3.643376639e+00 -3.686595421e+00 2.66 -3.109868605e+00 -3.624640102e+00 -3.687892561e+00 2.68 -3.051806733e+00 -3.601128824e+00 -3.682926615e+00 2.70 -2.992560780e+00 -3.573267004e+00 -3.672170387e+00 2.72 -2.932351165e+00 -3.541453178e+00 -3.656144352e+00 2.74 -2.871369919e+00 -3.506061335e+00 -3.635285691e+00 2.76 -2.810312094e+00 -3.467442025e+00 -3.610006391e+00 2.78 -2.748798270e+00 -3.425936007e+00 -3.580722523e+00 2.80 -2.687057666e+00 -3.381870888e+00 -3.547853761e+00 2.82 -2.625203830e+00 -3.335022744e+00 -3.511656446e+00 2.84 -2.563366975e+00 -3.284541575e+00 -3.472450988e+00 2.86 -2.501666222e+00 -3.232211881e+00 -3.430793611e+00 2.88 -2.440209920e+00 -3.178421678e+00 -3.388904997e+00 2.90 -2.379096391e+00 -3.123399885e+00 -3.344469383e+00 2.92 -2.318414625e+00 -3.067470574e+00 -3.296144777e+00 2.94 -2.258244935e+00 -3.010657103e+00 -3.246180934e+00 2.96 -2.198659563e+00 -2.953127149e+00 -3.194762979e+00 2.98 -2.139723280e+00 -2.895036432e+00 -3.142088598e+00 3.00 -2.081493894e+00 -2.836519047e+00 -3.088339848e+00 3.02 -2.024022777e+00 -2.777554471e+00 -3.033686240e+00 3.04 -1.967355331e+00 -2.718849110e+00 -2.978285413e+00 3.06 -1.911531437e+00 -2.660827979e+00 -2.922282987e+00 3.08 -1.856593832e+00 -2.602803839e+00 -2.865818285e+00 3.10 -1.802661248e+00 -2.544886038e+00 -2.808929617e+00 3.12 -1.749678950e+00 -2.487163434e+00 -2.751614887e+00 3.14 -1.697634482e+00 -2.429717207e+00 -2.694208227e+00 3.16 -1.646447456e+00 -2.372621360e+00 -2.636795706e+00 3.18 -1.596009899e+00 -2.315943197e+00 -2.579470124e+00 3.20 -1.546162659e+00 -2.259743757e+00 -2.522312036e+00 3.22 -1.497247000e+00 -2.204078250e+00 -2.465544513e+00 3.24 -1.449446211e+00 -2.148996495e+00 -2.409117730e+00 3.26 -1.402714915e+00 -2.094543208e+00 -2.353060492e+00 3.28 -1.357010001e+00 -2.040758295e+00 -2.297432084e+00 3.30 -1.312331190e+00 -1.987677337e+00 -2.242286378e+00 3.32 -1.268683534e+00 -1.935331914e+00 -2.187672213e+00 3.34 -1.226069836e+00 -1.883749029e+00 -2.133633705e+00 3.36 -1.184477398e+00 -1.832952827e+00 -2.080210549e+00 3.38 -1.143880427e+00 -1.782970695e+00 -2.027438233e+00 3.40 -1.104250360e+00 -1.733830386e+00 -1.975348621e+00 3.42 -1.065567440e+00 -1.685654617e+00 -1.923969897e+00 3.44 -1.027838109e+00 -1.638180705e+00 -1.873326559e+00 3.46 -9.910648035e-01 -1.591321908e+00 -1.823435174e+00 3.48 -9.552412099e-01 -1.545052126e+00 -1.774336211e+00 3.50 -9.203512891e-01 -1.499522309e+00 -1.726071509e+00 3.52 -8.863868142e-01 -1.454905712e+00 -1.679237744e+00 3.54 -8.533296044e-01 -1.411223329e+00 -1.633103444e+00 3.56 -8.211595995e-01 -1.368442880e+00 -1.587484473e+00 3.58 -7.898733197e-01 -1.326553975e+00 -1.542377258e+00 3.60 -7.593927979e-01 -1.285557847e+00 -1.498032804e+00 3.62 -7.297378788e-01 -1.245457162e+00 -1.454595276e+00 3.64 -7.008573261e-01 -1.206250913e+00 -1.412026445e+00 3.66 -6.727468198e-01 -1.167922271e+00 -1.370296943e+00 3.68 -6.454990268e-01 -1.130447558e+00 -1.329410892e+00 3.70 -6.191805735e-01 -1.093805420e+00 -1.289367514e+00 3.72 -5.938713684e-01 -1.057982742e+00 -1.250170888e+00 3.74 -5.696145071e-01 -1.022981447e+00 -1.211819478e+00 3.76 -5.462950767e-01 -9.888039729e-01 -1.174302922e+00 3.78 -5.239200787e-01 -9.554471019e-01 -1.137600686e+00 3.80 -5.022486177e-01 -9.229019654e-01 -1.101689569e+00 3.82 -4.810347507e-01 -8.911511622e-01 -1.066556719e+00 3.84 -4.601052192e-01 -8.601858613e-01 -1.032206074e+00 3.86 -4.393441754e-01 -8.299892302e-01 -9.986375176e-01 3.88 -4.186805947e-01 -8.005603453e-01 -9.658483413e-01 3.90 -3.980779446e-01 -7.718763645e-01 -9.338375643e-01 3.92 -3.775166183e-01 -7.438698942e-01 -9.025875163e-01 3.94 -3.569755730e-01 -7.165413837e-01 -8.721854304e-01 3.96 -3.365370105e-01 -6.898670586e-01 -8.425335450e-01 3.98 -3.162459930e-01 -6.638921611e-01 -8.136100643e-01 4.00 -2.961500026e-01 -6.386840392e-01 -7.854155047e-01 4.02 -2.764196302e-01 -6.142916670e-01 -7.578889766e-01 4.04 -2.572266565e-01 -5.907687516e-01 -7.310294357e-01 4.06 -2.411108387e-01 -5.681809004e-01 -7.047691119e-01 4.08 -2.258353874e-01 -5.464632979e-01 -6.791393513e-01 4.10 -2.111853867e-01 -5.255480113e-01 -6.542117374e-01 4.12 -1.971618166e-01 -5.052550639e-01 -6.300398133e-01 4.14 -1.837691558e-01 -4.853768958e-01 -6.066619095e-01 4.16 -1.710046298e-01 -4.657628147e-01 -5.841418599e-01 4.18 -1.588597647e-01 -4.463079166e-01 -5.624955819e-01 4.20 -1.473216746e-01 -4.269438224e-01 -5.416902883e-01 4.22 -1.363741248e-01 -4.076309372e-01 -5.216478112e-01 4.24 -1.259984069e-01 -3.883520302e-01 -5.021396288e-01 4.26 -1.161740590e-01 -3.690942561e-01 -4.829926709e-01 4.28 -1.068794482e-01 -3.497785053e-01 -4.640816463e-01 4.30 -9.809224497e-02 -3.320170657e-01 -4.453198313e-01 4.32 -8.978980114e-02 -3.150536376e-01 -4.266513194e-01 4.34 -8.194945557e-02 -2.982858593e-01 -4.080445434e-01 4.36 -7.454876938e-02 -2.818310882e-01 -3.894868745e-01 4.38 -6.756571259e-02 -2.657694885e-01 -3.709748488e-01 4.40 -6.097817528e-02 -2.501620369e-01 -3.524911608e-01 4.42 -5.469279500e-02 -2.350537440e-01 -3.340929883e-01 4.44 -5.012550481e-02 -2.204763686e-01 -3.157830717e-01 4.46 -4.650704392e-02 -2.064507247e-01 -2.976648612e-01 4.48 -4.306457713e-02 -1.929886488e-01 -2.798632003e-01 4.50 -3.981403381e-02 -1.800946516e-01 -2.624751879e-01 4.52 -3.674542564e-02 -1.677673230e-01 -2.455747512e-01 4.54 -3.384898283e-02 -1.560005144e-01 -2.292165393e-01 4.56 -3.111538016e-02 -1.447843341e-01 -2.134392393e-01 4.58 -2.853573223e-02 -1.341059823e-01 -1.982683917e-01 4.60 -2.610158452e-02 -1.239504423e-01 -1.837187679e-01 4.62 -2.380490300e-02 -1.143010605e-01 -1.697963868e-01 4.64 -2.163806147e-02 -1.051400243e-01 -1.565002124e-01 4.66 -1.959382852e-02 -9.644876059e-02 -1.438235886e-01 4.68 -1.766535223e-02 -8.820825574e-02 -1.317554326e-01 4.70 -1.584614482e-02 -8.039931753e-02 -1.202812351e-01 4.72 -1.413006713e-02 -7.300278720e-02 -1.093838946e-01 4.74 -1.251131289e-02 -6.599970786e-02 -9.904440756e-02 4.76 -1.098439388e-02 -5.937146075e-02 -8.924244403e-02 4.78 -9.544123714e-03 -5.309986399e-02 -7.995680877e-02 4.80 -8.185603130e-03 -4.716416335e-02 -7.116582441e-02 4.82 -6.904205285e-03 -4.164159503e-02 -6.284763903e-02 4.84 -5.695561969e-03 -3.645360013e-02 -5.498047586e-02 4.86 -4.555549962e-03 -3.154607145e-02 -4.754282872e-02 4.88 -3.480277666e-03 -2.690448076e-02 -4.051361264e-02 4.90 -2.466072725e-03 -2.251492107e-02 -3.387228204e-02 4.92 -1.509286610e-03 -1.836323770e-02 -2.759760589e-02 4.94 -5.848118492e-04 -1.433371974e-02 -2.151466862e-02 4.96 -1.823815820e-05 -1.200868046e-02 -1.801201057e-02 4.98 1.658326649e-07 -1.125940704e-02 -1.688910340e-02 5.00 0.000000000e+00 -1.045691859e-02 -1.568537788e-02 5.02 0.000000000e+00 -9.699980134e-03 -1.454997020e-02 5.04 0.000000000e+00 -8.986793397e-03 -1.348019010e-02 5.06 0.000000000e+00 -8.314915677e-03 -1.247237351e-02 5.08 0.000000000e+00 -7.682034838e-03 -1.152305226e-02 5.10 0.000000000e+00 -7.085962857e-03 -1.062894429e-02 5.12 0.000000000e+00 -6.524629664e-03 -9.786944496e-03 5.14 0.000000000e+00 -5.996077151e-03 -8.994115727e-03 5.16 0.000000000e+00 -5.498453433e-03 -8.247680149e-03 5.18 0.000000000e+00 -5.030007386e-03 -7.545011079e-03 5.20 0.000000000e+00 -4.589083459e-03 -6.883625188e-03 5.22 0.000000000e+00 -4.174116730e-03 -6.261175095e-03 5.24 0.000000000e+00 -3.783628127e-03 -5.675442191e-03 5.26 0.000000000e+00 -3.416219902e-03 -5.124329853e-03 5.28 0.000000000e+00 -3.070571347e-03 -4.605857021e-03 5.30 0.000000000e+00 -2.745434740e-03 -4.118152110e-03 5.32 0.000000000e+00 -2.439631469e-03 -3.659447203e-03 5.34 0.000000000e+00 -2.152048315e-03 -3.228072472e-03 5.36 0.000000000e+00 -1.881633959e-03 -2.822450939e-03 5.38 0.000000000e+00 -1.627395672e-03 -2.441093509e-03 5.40 0.000000000e+00 -1.388396189e-03 -2.082594284e-03 5.42 0.000000000e+00 -1.163750705e-03 -1.745626057e-03 5.44 0.000000000e+00 -9.526240284e-04 -1.428936043e-03 5.46 0.000000000e+00 -7.542279037e-04 -1.131341856e-03 5.48 0.000000000e+00 -5.678184743e-04 -8.517277114e-04 5.50 0.000000000e+00 -3.926938855e-04 -5.890408282e-04 5.52 0.000000000e+00 -2.281919757e-04 -3.422879636e-04 5.54 0.000000000e+00 -7.269631110e-05 -1.090444666e-04 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 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00