# 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 = AgPd3 # 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 8.186426259e+02 nan nan 0.92 7.450754602e+02 nan nan 0.94 6.790123341e+02 nan nan 0.96 6.195905702e+02 nan nan 0.98 5.660581259e+02 8.225328940e+02 nan 1.00 5.177525961e+02 7.543386708e+02 8.514971096e+02 1.02 4.740965299e+02 6.925711330e+02 7.824669751e+02 1.04 4.345792565e+02 6.365495010e+02 7.197948821e+02 1.06 3.987525602e+02 5.856702916e+02 6.628243286e+02 1.08 3.662195355e+02 5.393953133e+02 6.109659882e+02 1.10 3.366341745e+02 4.972530641e+02 5.637039354e+02 1.12 3.096877651e+02 4.588218482e+02 5.205742789e+02 1.14 2.851093426e+02 4.237258151e+02 4.811666886e+02 1.16 2.626572524e+02 3.916346218e+02 4.451145945e+02 1.18 2.421185955e+02 3.622522834e+02 4.120898085e+02 1.20 2.233047286e+02 3.353141382e+02 3.818018399e+02 1.22 2.060466564e+02 3.105835181e+02 3.539893193e+02 1.24 1.901959432e+02 2.878526268e+02 3.284173861e+02 1.26 1.756203169e+02 2.669338978e+02 3.048792871e+02 1.28 1.622011190e+02 2.476594153e+02 2.831879645e+02 1.30 1.498317667e+02 2.298772692e+02 2.631742773e+02 1.32 1.384194812e+02 2.134549624e+02 2.446884365e+02 1.34 1.278796807e+02 1.982724306e+02 2.275955930e+02 1.36 1.181362044e+02 1.842213466e+02 2.117741047e+02 1.38 1.091202622e+02 1.712043736e+02 1.971134039e+02 1.40 1.007717417e+02 1.591331226e+02 1.835151277e+02 1.42 9.303540703e+01 1.479284355e+02 1.708910256e+02 1.44 8.586137049e+01 1.375201079e+02 1.591606921e+02 1.46 7.920408789e+01 1.278436186e+02 1.482514096e+02 1.48 7.302220367e+01 1.188405753e+02 1.380961435e+02 1.50 6.727954165e+01 1.104582057e+02 1.286354550e+02 1.52 6.194233270e+01 1.026485148e+02 1.198164942e+02 1.54 5.697974126e+01 9.536720126e+01 1.115899796e+02 1.56 5.236365711e+01 8.857413730e+01 1.039110880e+02 1.58 4.806829586e+01 8.223341687e+01 9.673914007e+01 1.60 4.406925331e+01 7.631285283e+01 9.003685135e+01 1.62 4.034594455e+01 7.078209984e+01 8.376944432e+01 1.64 3.687857779e+01 6.561328753e+01 7.790670195e+01 1.66 3.363287036e+01 6.078096000e+01 7.242007784e+01 1.68 3.062239721e+01 5.626168137e+01 6.728333272e+01 1.70 2.781299728e+01 5.203386116e+01 6.247226748e+01 1.72 2.520151304e+01 4.807753167e+01 5.796481666e+01 1.74 2.277260342e+01 4.437440764e+01 5.374053827e+01 1.76 2.051470954e+01 4.090750872e+01 4.978052166e+01 1.78 1.841735370e+01 3.766051847e+01 4.606658052e+01 1.80 1.647058297e+01 3.461924743e+01 4.258310149e+01 1.82 1.466505469e+01 3.175402818e+01 3.931546437e+01 1.84 1.299197870e+01 2.908000147e+01 3.624977230e+01 1.86 1.144311581e+01 2.657966070e+01 3.335711999e+01 1.88 1.001067691e+01 2.424070016e+01 3.065639602e+01 1.90 8.687305479e+00 2.205366999e+01 2.811816594e+01 1.92 7.466250804e+00 2.000984794e+01 2.574184740e+01 1.94 6.341009088e+00 1.810095257e+01 2.351532119e+01 1.96 5.305342753e+00 1.631919090e+01 2.143013231e+01 1.98 4.353258730e+00 1.465710587e+01 1.947828597e+01 2.00 3.479614534e+00 1.310790048e+01 1.765231571e+01 2.02 2.679651374e+00 1.166505981e+01 1.594405499e+01 2.04 1.948567871e+00 1.032242412e+01 1.434776472e+01 2.06 1.281835548e+00 9.073927342e+00 1.285732164e+01 2.08 6.751559021e-01 7.913918483e+00 1.146675497e+01 2.10 1.245564165e-01 6.837640770e+00 1.017041565e+01 2.12 -3.738211277e-01 5.839676294e+00 8.962931965e+00 2.14 -8.235663961e-01 4.915694348e+00 7.839292306e+00 2.16 -1.228066649e+00 4.061495415e+00 6.794718437e+00 2.18 -1.590320661e+00 3.272922216e+00 5.824579231e+00 2.20 -1.912712443e+00 2.546055391e+00 4.924658022e+00 2.22 -2.198884486e+00 1.877136460e+00 4.090917985e+00 2.24 -2.451523828e+00 1.262654294e+00 3.319514072e+00 2.26 -2.673167666e+00 6.992911358e-01 2.606801713e+00 2.28 -2.866575016e+00 1.839423479e-01 1.949301434e+00 2.30 -3.033600451e+00 -2.865304769e-01 1.343755774e+00 2.32 -3.176480641e+00 -7.150707598e-01 7.870681100e-01 2.34 -3.297287335e+00 -1.104230788e+00 2.763709104e-01 2.36 -3.397551806e+00 -1.456351053e+00 -1.912090945e-01 2.38 -3.479262279e+00 -1.773851392e+00 -6.187712998e-01 2.40 -3.544056933e+00 -2.058691968e+00 -1.008835581e+00 2.42 -3.593110988e+00 -2.313576397e+00 -1.363327446e+00 2.44 -3.627259402e+00 -2.540536555e+00 -1.684159061e+00 2.46 -3.648473514e+00 -2.741512989e+00 -1.973257097e+00 2.48 -3.657987103e+00 -2.918343327e+00 -2.233193835e+00 2.50 -3.656938417e+00 -3.072763202e+00 -2.465975306e+00 2.52 -3.646383946e+00 -3.206410826e+00 -2.673361831e+00 2.54 -3.627303015e+00 -3.320831332e+00 -2.857078825e+00 2.56 -3.600602214e+00 -3.417477407e+00 -3.018764933e+00 2.58 -3.567119660e+00 -3.497686280e+00 -3.159969689e+00 2.60 -3.527629104e+00 -3.562794463e+00 -3.282157454e+00 2.62 -3.482843856e+00 -3.613807907e+00 -3.386711164e+00 2.64 -3.433421032e+00 -3.652011250e+00 -3.474920451e+00 2.66 -3.380228746e+00 -3.678334337e+00 -3.548346452e+00 2.68 -3.323796894e+00 -3.694106446e+00 -3.608160455e+00 2.70 -3.264368319e+00 -3.700140522e+00 -3.655130578e+00 2.72 -3.202406131e+00 -3.697313205e+00 -3.689719505e+00 2.74 -3.138322450e+00 -3.686444412e+00 -3.713225348e+00 2.76 -3.072624473e+00 -3.668288534e+00 -3.726789293e+00 2.78 -3.003429761e+00 -3.644562920e+00 -3.731274710e+00 2.80 -2.932901747e+00 -3.615517736e+00 -3.727499448e+00 2.82 -2.861693501e+00 -3.581118176e+00 -3.716171646e+00 2.84 -2.790687311e+00 -3.541937030e+00 -3.697989073e+00 2.86 -2.720562461e+00 -3.498507832e+00 -3.673603456e+00 2.88 -2.650421961e+00 -3.451325172e+00 -3.643622883e+00 2.90 -2.580461031e+00 -3.400859586e+00 -3.608614103e+00 2.92 -2.510847084e+00 -3.347659526e+00 -3.569104747e+00 2.94 -2.441736284e+00 -3.291966343e+00 -3.525585473e+00 2.96 -2.373495701e+00 -3.234135011e+00 -3.478512016e+00 2.98 -2.305994227e+00 -3.174515983e+00 -3.428307176e+00 3.00 -2.239329193e+00 -3.112726545e+00 -3.375362712e+00 3.02 -2.173590701e+00 -3.049622164e+00 -3.320041148e+00 3.04 -2.108856960e+00 -2.984260915e+00 -3.262677267e+00 3.06 -2.045195142e+00 -2.918130738e+00 -3.203628890e+00 3.08 -1.982670152e+00 -2.851600574e+00 -3.144827363e+00 3.10 -1.921417212e+00 -2.784878984e+00 -3.083993933e+00 3.12 -1.861372273e+00 -2.718137323e+00 -3.020738092e+00 3.14 -1.802568932e+00 -2.651529538e+00 -2.956748297e+00 3.16 -1.745032799e+00 -2.585194504e+00 -2.892243494e+00 3.18 -1.688784849e+00 -2.519256926e+00 -2.827448690e+00 3.20 -1.633837476e+00 -2.453828463e+00 -2.762525515e+00 3.22 -1.580241775e+00 -2.389008743e+00 -2.697768754e+00 3.24 -1.527968060e+00 -2.324868939e+00 -2.633195699e+00 3.26 -1.477020919e+00 -2.262386276e+00 -2.568895402e+00 3.28 -1.427378671e+00 -2.200998488e+00 -2.504980503e+00 3.30 -1.379030457e+00 -2.140454792e+00 -2.441552257e+00 3.32 -1.331980782e+00 -2.080809086e+00 -2.378701392e+00 3.34 -1.286133008e+00 -2.022109611e+00 -2.316508946e+00 3.36 -1.241346597e+00 -1.964397660e+00 -2.255046913e+00 3.38 -1.197551955e+00 -1.907708252e+00 -2.194378898e+00 3.40 -1.154851362e+00 -1.852075199e+00 -2.134560864e+00 3.42 -1.113367235e+00 -1.797578762e+00 -2.075641583e+00 3.44 -1.073171785e+00 -1.744173470e+00 -2.017663478e+00 3.46 -1.034218119e+00 -1.691874899e+00 -1.960662572e+00 3.48 -9.964586685e-01 -1.640693461e+00 -1.904669845e+00 3.50 -9.598586258e-01 -1.590636271e+00 -1.849710669e+00 3.52 -9.243876013e-01 -1.541708231e+00 -1.795806204e+00 3.54 -8.900013826e-01 -1.493919087e+00 -1.742972885e+00 3.56 -8.566787522e-01 -1.447258364e+00 -1.691223872e+00 3.58 -8.244092426e-01 -1.401712763e+00 -1.640567605e+00 3.60 -7.931823742e-01 -1.357284791e+00 -1.591008814e+00 3.62 -7.629770422e-01 -1.313935461e+00 -1.542551925e+00 3.64 -7.336326605e-01 -1.271549095e+00 -1.495208774e+00 3.66 -7.051041308e-01 -1.230034427e+00 -1.448961590e+00 3.68 -6.774840531e-01 -1.189400295e+00 -1.403800371e+00 3.70 -6.508390252e-01 -1.149751429e+00 -1.359729807e+00 3.72 -6.252134106e-01 -1.111178387e+00 -1.316707169e+00 3.74 -6.006333160e-01 -1.073719269e+00 -1.274603563e+00 3.76 -5.771165334e-01 -1.037327686e+00 -1.233763545e+00 3.78 -5.547802847e-01 -1.001967104e+00 -1.193987247e+00 3.80 -5.335478102e-01 -9.676098276e-01 -1.155145215e+00 3.82 -5.131287169e-01 -9.342318524e-01 -1.117319020e+00 3.84 -4.932992279e-01 -9.018039516e-01 -1.080550471e+00 3.86 -4.738961794e-01 -8.702998012e-01 -1.044798294e+00 3.88 -4.548047688e-01 -8.397103526e-01 -1.010027952e+00 3.90 -4.359483965e-01 -8.100276301e-01 -9.762139675e-01 3.92 -4.172802798e-01 -7.812427713e-01 -9.433337718e-01 3.94 -3.987765584e-01 -7.532957494e-01 -9.114010185e-01 3.96 -3.804306595e-01 -7.260844460e-01 -8.803590824e-01 3.98 -3.622487186e-01 -6.995935602e-01 -8.501887434e-01 4.00 -3.442236463e-01 -6.738945434e-01 -8.208833683e-01 4.02 -3.263127952e-01 -6.490395161e-01 -7.924361595e-01 4.04 -3.086379136e-01 -6.250643197e-01 -7.648146905e-01 4.06 -2.913216011e-01 -6.019912177e-01 -7.379362387e-01 4.08 -2.744573040e-01 -5.798544189e-01 -7.117302752e-01 4.10 -2.581144223e-01 -5.586830412e-01 -6.862527565e-01 4.12 -2.423426130e-01 -5.384884216e-01 -6.615602535e-01 4.14 -2.271754052e-01 -5.190998728e-01 -6.376933099e-01 4.16 -2.126332330e-01 -5.003136413e-01 -6.146789881e-01 4.18 -1.987259724e-01 -4.819755380e-01 -5.925330703e-01 4.20 -1.854550602e-01 -4.639717801e-01 -5.713123180e-01 4.22 -1.728152574e-01 -4.462212715e-01 -5.510199230e-01 4.24 -1.607961123e-01 -4.286691215e-01 -5.316194180e-01 4.26 -1.493831716e-01 -4.112812193e-01 -5.129140188e-01 4.28 -1.385589776e-01 -3.940397146e-01 -4.947321767e-01 4.30 -1.283035992e-01 -3.769392672e-01 -4.769442612e-01 4.32 -1.185707919e-01 -3.599675486e-01 -4.594549098e-01 4.34 -1.102453638e-01 -3.431255152e-01 -4.421965521e-01 4.36 -1.028102355e-01 -3.264334723e-01 -4.251239507e-01 4.38 -9.577956211e-02 -3.099194785e-01 -4.082096167e-01 4.40 -8.913105730e-02 -2.936855065e-01 -3.914399716e-01 4.42 -8.284646027e-02 -2.778144813e-01 -3.748121517e-01 4.44 -7.690788462e-02 -2.623700372e-01 -3.583237939e-01 4.46 -7.129791636e-02 -2.473997004e-01 -3.419499282e-01 4.48 -6.599968593e-02 -2.329376019e-01 -3.257222011e-01 4.50 -6.099692013e-02 -2.190067847e-01 -3.096796442e-01 4.52 -5.627397555e-02 -2.056211639e-01 -2.939151899e-01 4.54 -5.181585901e-02 -1.927871887e-01 -2.785044939e-01 4.56 -4.760823736e-02 -1.805049823e-01 -2.635058157e-01 4.58 -4.363743744e-02 -1.687478153e-01 -2.489628303e-01 4.60 -3.989043980e-02 -1.581421332e-01 -2.349070367e-01 4.62 -3.635486686e-02 -1.486181871e-01 -2.213598154e-01 4.64 -3.301896702e-02 -1.395225367e-01 -2.083341829e-01 4.66 -2.987159588e-02 -1.308630324e-01 -1.958362853e-01 4.68 -2.690219503e-02 -1.226248566e-01 -1.838666658e-01 4.70 -2.410076946e-02 -1.147925765e-01 -1.724213387e-01 4.72 -2.146138311e-02 -1.073504615e-01 -1.614926977e-01 4.74 -1.899677532e-02 -1.002826694e-01 -1.510702808e-01 4.76 -1.756506229e-02 -9.357339723e-02 -1.411414141e-01 4.78 -1.625429228e-02 -8.720700300e-02 -1.316917491e-01 4.80 -1.501750784e-02 -8.116636649e-02 -1.227057132e-01 4.82 -1.384685910e-02 -7.548961240e-02 -1.141668803e-01 4.84 -1.273883562e-02 -7.012720769e-02 -1.060582800e-01 4.86 -1.169011098e-02 -6.504335795e-02 -9.836264982e-02 4.88 -1.069753344e-02 -6.022466662e-02 -9.106264138e-02 4.90 -9.758117091e-03 -5.565820843e-02 -8.414098643e-02 4.92 -8.869033320e-03 -5.133154304e-02 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-3.091600863e-03 -4.639426962e-03 5.30 -1.196977143e-05 -1.622780737e-03 -2.434226135e-03 5.32 -1.888962464e-06 -1.396508088e-03 -2.094769700e-03 5.34 0.000000000e+00 -1.221624799e-03 -1.832437198e-03 5.36 0.000000000e+00 -1.066374764e-03 -1.599562146e-03 5.38 0.000000000e+00 -9.208137505e-04 -1.381220626e-03 5.40 0.000000000e+00 -7.843520724e-04 -1.176528109e-03 5.42 0.000000000e+00 -6.564349463e-04 -9.846524194e-04 5.44 0.000000000e+00 -5.365404779e-04 -8.048107168e-04 5.46 0.000000000e+00 -4.241777712e-04 -6.362666567e-04 5.48 0.000000000e+00 -3.188851498e-04 -4.783277247e-04 5.50 0.000000000e+00 -2.202284776e-04 -3.303427164e-04 5.52 0.000000000e+00 -1.277995505e-04 -1.916993258e-04 5.54 0.000000000e+00 -4.066065268e-05 -6.099097901e-05 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 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