# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AgPt3 # 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 2024-04-11 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 4.408317854e+02 nan nan 1.16 4.091737439e+02 nan nan 1.18 3.797859845e+02 nan nan 1.20 3.524698217e+02 nan nan 1.22 3.270629823e+02 nan nan 1.24 3.034269282e+02 nan nan 1.26 2.814342767e+02 nan nan 1.28 2.609558203e+02 3.889650199e+02 4.396347383e+02 1.30 2.418617832e+02 3.632243449e+02 4.113206876e+02 1.32 2.240375092e+02 3.391437103e+02 3.848087698e+02 1.34 2.073928790e+02 3.166044703e+02 3.599514278e+02 1.36 1.918541054e+02 2.954924943e+02 3.366352286e+02 1.38 1.773495454e+02 2.756982921e+02 3.147733019e+02 1.40 1.638050422e+02 2.571245659e+02 2.942877241e+02 1.42 1.511485280e+02 2.396945928e+02 2.750975449e+02 1.44 1.393138736e+02 2.233502033e+02 2.571161989e+02 1.46 1.282391593e+02 2.080391829e+02 2.402540063e+02 1.48 1.178628442e+02 1.937038666e+02 2.244230059e+02 1.50 1.081229891e+02 1.802785703e+02 2.095416574e+02 1.52 9.896048931e+01 1.676926721e+02 1.955377148e+02 1.54 9.032380231e+01 1.558743277e+02 1.823491346e+02 1.56 8.217265098e+01 1.447540845e+02 1.699225501e+02 1.58 7.447889346e+01 1.342689448e+02 1.582099531e+02 1.60 6.722340645e+01 1.243658808e+02 1.471665335e+02 1.62 6.043365663e+01 1.150030477e+02 1.367510373e+02 1.64 5.424388764e+01 1.061478409e+02 1.269262581e+02 1.66 4.861738701e+01 9.777299266e+01 1.176574782e+02 1.68 4.350098858e+01 8.985344419e+01 1.089100470e+02 1.70 3.884595745e+01 8.236563456e+01 1.006484075e+02 1.72 3.460987614e+01 7.528800432e+01 9.283689234e+01 1.74 3.075652389e+01 6.860041075e+01 8.544106414e+01 1.76 2.725431106e+01 6.229241538e+01 7.842883856e+01 1.78 2.407435599e+01 5.646779798e+01 7.177163150e+01 1.80 2.118904967e+01 5.112346462e+01 6.544580395e+01 1.82 1.857148410e+01 4.621291957e+01 5.948916859e+01 1.84 1.619573811e+01 4.169557302e+01 5.399986604e+01 1.86 1.403764292e+01 3.753775815e+01 4.895369845e+01 1.88 1.207546192e+01 3.371227269e+01 4.432221092e+01 1.90 1.029013684e+01 3.019681573e+01 4.007536113e+01 1.92 8.665137826e+00 2.697193654e+01 3.618176359e+01 1.94 7.186141370e+00 2.401917635e+01 3.261025529e+01 1.96 5.840707779e+00 2.131989511e+01 2.933153920e+01 1.98 4.618011693e+00 1.885493042e+01 2.631913187e+01 2.00 3.508607217e+00 1.660492672e+01 2.354950434e+01 2.02 2.504191122e+00 1.455099799e+01 2.100172082e+01 2.04 1.597339087e+00 1.267537909e+01 1.865698025e+01 2.06 7.812183568e-01 1.096185087e+01 1.649832857e+01 2.08 4.931481060e-02 9.395885048e+00 1.451058035e+01 2.10 -6.047652818e-01 7.964560385e+00 1.268033103e+01 2.12 -1.187371430e+00 6.656345322e+00 1.099591624e+01 2.14 -1.704763886e+00 5.460850443e+00 9.447231636e+00 2.16 -2.162998368e+00 4.368632976e+00 8.025402426e+00 2.18 -2.567803939e+00 3.371087882e+00 6.722360567e+00 2.20 -2.924489253e+00 2.460408578e+00 5.530438105e+00 2.22 -3.237878787e+00 1.629574701e+00 4.442090803e+00 2.24 -3.512271565e+00 8.723307251e-01 3.449811437e+00 2.26 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2.62 -4.580129239e+00 -4.682237935e+00 -4.511195414e+00 2.64 -4.513199498e+00 -4.725123222e+00 -4.610963010e+00 2.66 -4.442522898e+00 -4.758761897e+00 -4.695587383e+00 2.68 -4.369327118e+00 -4.783672058e+00 -4.765197746e+00 2.70 -4.294574499e+00 -4.800219408e+00 -4.820014561e+00 2.72 -4.218957721e+00 -4.808663152e+00 -4.860393200e+00 2.74 -4.142934583e+00 -4.809195765e+00 -4.886871945e+00 2.76 -4.066781608e+00 -4.801973232e+00 -4.900213657e+00 2.78 -3.990649405e+00 -4.787136429e+00 -4.901426698e+00 2.80 -3.914609835e+00 -4.764826648e+00 -4.891750953e+00 2.82 -3.838691347e+00 -4.735198948e+00 -4.872601393e+00 2.84 -3.762913739e+00 -4.698436954e+00 -4.845474099e+00 2.86 -3.687362516e+00 -4.654771488e+00 -4.811833100e+00 2.88 -3.611990815e+00 -4.604503628e+00 -4.773003977e+00 2.90 -3.536742248e+00 -4.548030161e+00 -4.730097372e+00 2.92 -3.461584264e+00 -4.485866422e+00 -4.683974180e+00 2.94 -3.386501930e+00 -4.418659135e+00 -4.635250581e+00 2.96 -3.311491647e+00 -4.347181322e+00 -4.584331541e+00 2.98 -3.236555651e+00 -4.272304100e+00 -4.531458485e+00 3.00 -3.161697843e+00 -4.194946094e+00 -4.476758749e+00 3.02 -3.086921384e+00 -4.116008512e+00 -4.420289155e+00 3.04 -3.012229890e+00 -4.036309392e+00 -4.362069873e+00 3.06 -2.937630170e+00 -3.956531198e+00 -4.302108045e+00 3.08 -2.863130409e+00 -3.877191326e+00 -4.240412363e+00 3.10 -2.788742898e+00 -3.798638390e+00 -4.177000563e+00 3.12 -2.714487364e+00 -3.721125643e+00 -4.111901932e+00 3.14 -2.640393687e+00 -3.644724442e+00 -4.045156709e+00 3.16 -2.566503463e+00 -3.569364372e+00 -3.976813901e+00 3.18 -2.492881592e+00 -3.494927821e+00 -3.906946741e+00 3.20 -2.419706091e+00 -3.421275166e+00 -3.835665897e+00 3.22 -2.347196805e+00 -3.348263585e+00 -3.762993422e+00 3.24 -2.275548711e+00 -3.275759945e+00 -3.688953294e+00 3.26 -2.204931386e+00 -3.203648942e+00 -3.613582395e+00 3.28 -2.135488846e+00 -3.131837754e+00 -3.536933722e+00 3.30 -2.067339608e+00 -3.060258262e+00 -3.459081669e+00 3.32 -2.000577301e+00 -2.988868006e+00 -3.380128860e+00 3.34 -1.935271962e+00 -2.917651922e+00 -3.300213573e+00 3.36 -1.871472077e+00 -2.846618546e+00 -3.219516262e+00 3.38 -1.809207150e+00 -2.775795942e+00 -3.138263335e+00 3.40 -1.748490693e+00 -2.705228658e+00 -3.056726841e+00 3.42 -1.689323307e+00 -2.634974206e+00 -2.975219825e+00 3.44 -1.631695630e+00 -2.565100878e+00 -2.894080672e+00 3.46 -1.575590877e+00 -2.495725939e+00 -2.813653281e+00 3.48 -1.520986871e+00 -2.427015894e+00 -2.734265826e+00 3.50 -1.467857412e+00 -2.359149120e+00 -2.656210197e+00 3.52 -1.416173056e+00 -2.292285974e+00 -2.579725538e+00 3.54 -1.365901309e+00 -2.226561942e+00 -2.504989554e+00 3.56 -1.317006462e+00 -2.162088242e+00 -2.432182275e+00 3.58 -1.269449185e+00 -2.098952575e+00 -2.361497009e+00 3.60 -1.223186084e+00 -2.037220033e+00 -2.293041746e+00 3.62 -1.178169389e+00 -1.976934167e+00 -2.226848033e+00 3.64 -1.134346923e+00 -1.918118216e+00 -2.162888575e+00 3.66 -1.091662467e+00 -1.860776524e+00 -2.101093186e+00 3.68 -1.050056622e+00 -1.804896166e+00 -2.041362270e+00 3.70 -1.009468212e+00 -1.750448800e+00 -1.983577690e+00 3.72 -9.698362739e-01 -1.697392761e+00 -1.927611294e+00 3.74 -9.311026103e-01 -1.645675380e+00 -1.873331548e+00 3.76 -8.932148242e-01 -1.595235484e+00 -1.820608727e+00 3.78 -8.561297013e-01 -1.546005992e+00 -1.769319044e+00 3.80 -8.198166839e-01 -1.497916503e+00 -1.719347923e+00 3.82 -7.842610884e-01 -1.450895748e+00 -1.670592562e+00 3.84 -7.494666143e-01 -1.404873784e+00 -1.622963771e+00 3.86 -7.154566283e-01 -1.359783833e+00 -1.576387083e+00 3.88 -6.822737161e-01 -1.315563718e+00 -1.530803104e+00 3.90 -6.499771184e-01 -1.272156892e+00 -1.486167117e+00 3.92 -6.186379144e-01 -1.229513141e+00 -1.442448007e+00 3.94 -5.883321951e-01 -1.187589067e+00 -1.399626639e+00 3.96 -5.591328464e-01 -1.146348466e+00 -1.357693801e+00 3.98 -5.311009801e-01 -1.105762803e+00 -1.316647974e+00 4.00 -5.042781742e-01 -1.065811843e+00 -1.276493039e+00 4.02 -4.786806510e-01 -1.026484539e+00 -1.237236095e+00 4.04 -4.542961978e-01 -9.877801320e-01 -1.198885512e+00 4.06 -4.310841459e-01 -9.497093687e-01 -1.161449278e+00 4.08 -4.089782166e-01 -9.122956234e-01 -1.124933676e+00 4.10 -3.878916396e-01 -8.755756328e-01 -1.089342301e+00 4.12 -3.677237322e-01 -8.395995631e-01 -1.054675377e+00 4.14 -3.483671135e-01 -8.044299786e-01 -1.020929344e+00 4.16 -3.297148481e-01 -7.701396593e-01 -9.880966562e-01 4.18 -3.116670063e-01 -7.368080817e-01 -9.561657529e-01 4.20 -2.941363023e-01 -7.045167747e-01 -9.251211457e-01 4.22 -2.770526216e-01 -6.733439251e-01 -8.949435873e-01 4.24 -2.603662621e-01 -6.433587944e-01 -8.656102866e-01 4.26 -2.440498331e-01 -6.146165859e-01 -8.370951449e-01 4.28 -2.280986705e-01 -5.871543593e-01 -8.093689958e-01 4.30 -2.125297178e-01 -5.609884208e-01 -7.823998362e-01 4.32 -1.973788796e-01 -5.361133801e-01 -7.561530435e-01 4.34 -1.826969780e-01 -5.125028142e-01 -7.305915778e-01 4.36 -1.685446044e-01 -4.901112660e-01 -7.056761725e-01 4.38 -1.549863260e-01 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-2.777198781e-02 -1.940230417e-01 -2.982952404e-01 4.76 -2.519132957e-02 -1.811920754e-01 -2.784313919e-01 4.78 -2.281979444e-02 -1.685585821e-01 -2.588479667e-01 4.80 -2.063640138e-02 -1.561687442e-01 -2.396298013e-01 4.82 -1.862397189e-02 -1.440758153e-01 -2.208702136e-01 4.84 -1.676860105e-02 -1.323374798e-01 -2.026670563e-01 4.86 -1.505907456e-02 -1.210128697e-01 -1.851181985e-01 4.88 -1.348626220e-02 -1.101594186e-01 -1.683167929e-01 4.90 -1.204253413e-02 -9.982981871e-02 -1.523467396e-01 4.92 -1.072123716e-02 -9.006933356e-02 -1.372787453e-01 4.94 -9.516257317e-03 -8.091368106e-02 -1.231673123e-01 4.96 -8.421675741e-03 -7.238763351e-02 -1.100488718e-01 4.98 -7.431571324e-03 -6.450439533e-02 -9.794113807e-02 5.00 -6.539874392e-03 -5.726573068e-02 -8.684361708e-02 5.02 -5.740315384e-03 -5.066273929e-02 -7.673909438e-02 5.04 -5.026447753e-03 -4.467712874e-02 -6.759584856e-02 5.06 -4.392003171e-03 -3.928280905e-02 -5.937031151e-02 5.08 -3.832082946e-03 -3.444763887e-02 -5.200990719e-02 5.10 -3.339204815e-03 -3.013517461e-02 -4.545584118e-02 5.12 -2.906088208e-03 -2.630630784e-02 -3.964566965e-02 5.14 -2.526186005e-03 -2.292070438e-02 -3.451553669e-02 5.16 -2.193586731e-03 -1.993804031e-02 -3.000202351e-02 5.18 -1.902942591e-03 -1.731896237e-02 -2.604359775e-02 5.20 -1.649416026e-03 -1.502581766e-02 -2.258167973e-02 5.22 -1.428638388e-03 -1.302315705e-02 -1.956136787e-02 5.24 -1.236675797e-03 -1.127884256e-02 -1.693192641e-02 5.26 -1.069998737e-03 -9.763261271e-03 -1.464695185e-02 5.28 -9.254533006e-04 -8.448302683e-03 -1.266440346e-02 5.30 -8.002330119e-04 -7.308373746e-03 -1.094705204e-02 5.32 -6.918508502e-04 -6.320905311e-03 -9.462770990e-03 5.34 -5.981115456e-04 -5.466086665e-03 -8.179979642e-03 5.36 -5.170844248e-04 -4.726543610e-03 -7.071468281e-03 5.38 -4.470771623e-04 -4.087059468e-03 -6.113722967e-03 5.40 -3.866107723e-04 -3.534329035e-03 -5.286377086e-03 5.42 -3.343961157e-04 -3.056739079e-03 -4.571777741e-03 5.44 -2.893121127e-04 -2.644171321e-03 -3.954622695e-03 5.46 -2.503857651e-04 -2.287825243e-03 -3.421651472e-03 5.48 -2.167740230e-04 -1.980058831e-03 -2.961379360e-03 5.50 -1.877474680e-04 -1.714245829e-03 -2.563866498e-03 5.52 -1.626757419e-04 -1.484648245e-03 -2.220516446e-03 5.54 -1.410146175e-04 -1.286302936e-03 -1.923899199e-03 5.56 -1.222945914e-04 -1.114921155e-03 -1.667600478e-03 5.58 -1.061108649e-04 -9.667999121e-04 -1.446081578e-03 5.60 -9.211458232e-05 -8.387440885e-04 -1.254565271e-03 5.62 -8.000519232e-05 -7.279982072e-04 -1.088932129e-03 5.64 -6.952380928e-05 -6.321868688e-04 -9.456310864e-04 5.66 -6.044745691e-05 -5.492628848e-04 -8.216017259e-04 5.68 -5.258408702e-05 -4.774622259e-04 -7.142068525e-04 5.70 -4.576827632e-05 -4.152649696e-04 -6.211740978e-04 5.72 -3.985751401e-05 -3.613615088e-04 -5.405454156e-04 5.74 -3.472900271e-05 -3.146233567e-04 -4.706334577e-04 5.76 -3.027690390e-05 -2.740779535e-04 -4.099839356e-04 5.78 -2.640996812e-05 -2.388869495e-04 -3.573431757e-04 5.80 -2.304949697e-05 -2.083275001e-04 -3.116301733e-04 5.82 -2.012759126e-05 -1.817761659e-04 -2.719125373e-04 5.84 -1.758564538e-05 -1.586950614e-04 -2.373857923e-04 5.86 -1.537305362e-05 -1.386199433e-04 -2.073555769e-04 5.88 -1.344609855e-05 -1.211499687e-04 -1.812223364e-04 5.90 -1.176699572e-05 -1.059388908e-04 -1.584681622e-04 5.92 -1.030307286e-05 -9.268749033e-05 -1.386454771e-04 5.94 -9.026064207e-06 -8.113706909e-05 -1.213673080e-04 5.96 -7.911503932e-06 -7.106385634e-05 -1.062989220e-04 5.98 -6.938204437e-06 -6.227419870e-05 -9.315063371e-05 6.00 -6.087807604e-06 -5.460042322e-05 -8.167161909e-05