# 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 = Al3Pt # 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 1.649369706e+02 nan nan 1.16 1.528341605e+02 nan nan 1.18 1.416243264e+02 nan nan 1.20 1.312279066e+02 nan nan 1.22 1.215732244e+02 nan nan 1.24 1.125973686e+02 nan nan 1.26 1.042423717e+02 nan nan 1.28 9.645517594e+01 1.452648288e+02 1.647754889e+02 1.30 8.918915029e+01 1.354554887e+02 1.539977745e+02 1.32 8.240200648e+01 1.262703987e+02 1.439052775e+02 1.34 7.605323474e+01 1.176724529e+02 1.344413698e+02 1.36 7.010548444e+01 1.096269354e+02 1.255540648e+02 1.38 6.452767072e+01 1.020936443e+02 1.172013862e+02 1.40 5.929521147e+01 9.502743250e+01 1.093541468e+02 1.42 5.438715429e+01 8.838506462e+01 1.019906727e+02 1.44 4.978390316e+01 8.213228512e+01 9.508758348e+01 1.46 4.546772515e+01 7.624654665e+01 8.861518448e+01 1.48 4.142414378e+01 7.071401777e+01 8.254015556e+01 1.50 3.765424725e+01 6.552303452e+01 7.683109594e+01 1.52 3.420005087e+01 6.065841157e+01 7.146189325e+01 1.54 3.104234675e+01 5.609960326e+01 6.641131343e+01 1.56 2.815340475e+01 5.182227320e+01 6.166015921e+01 1.58 2.550338178e+01 4.780104017e+01 5.718849461e+01 1.60 2.306629182e+01 4.401177666e+01 5.297487879e+01 1.62 2.082058342e+01 4.043313241e+01 4.899783380e+01 1.64 1.874875445e+01 3.706109982e+01 4.523820317e+01 1.66 1.683656239e+01 3.392654951e+01 4.168075541e+01 1.68 1.507215940e+01 3.102031406e+01 3.831631791e+01 1.70 1.344532613e+01 2.833146949e+01 3.517653635e+01 1.72 1.194684906e+01 2.584665291e+01 3.226339319e+01 1.74 1.056800174e+01 2.355209560e+01 2.956416620e+01 1.76 9.300155944e+00 2.143320456e+01 2.706233949e+01 1.78 8.134641581e+00 1.947483650e+01 2.474170349e+01 1.80 7.062899407e+00 1.766208305e+01 2.258717430e+01 1.82 6.076799506e+00 1.598115502e+01 2.058518195e+01 1.84 5.168921834e+00 1.441997128e+01 1.872390970e+01 1.86 4.332658530e+00 1.296832277e+01 1.699332504e+01 1.88 3.562131873e+00 1.161772581e+01 1.538493308e+01 1.90 2.852039070e+00 1.036113486e+01 1.389126389e+01 1.92 2.197549460e+00 9.192615026e+00 1.250527449e+01 1.94 1.594290525e+00 8.107006557e+00 1.121993837e+01 1.96 1.038373404e+00 7.099607228e+00 1.002816693e+01 1.98 5.264012201e-01 6.165921317e+00 8.922967315e+00 2.00 5.544296541e-02 5.301519545e+00 7.897636919e+00 2.02 -3.770175381e-01 4.502013207e+00 6.945878072e+00 2.04 -7.731485331e-01 3.763102457e+00 6.061844078e+00 2.06 -1.134854568e+00 3.080640319e+00 5.240172282e+00 2.08 -1.463881250e+00 2.450666918e+00 4.476027034e+00 2.10 -1.761932541e+00 1.869402677e+00 3.765133490e+00 2.12 -2.030776861e+00 1.333221656e+00 3.103774401e+00 2.14 -2.272312785e+00 8.386367963e-01 2.488740472e+00 2.16 -2.488577953e+00 3.823168354e-01 1.917245262e+00 2.18 -2.681706850e+00 -3.886676246e-02 1.386823778e+00 2.20 -2.853857232e+00 -4.277809796e-01 8.952312278e-01 2.22 -3.007308708e+00 -7.869829697e-01 4.403538700e-01 2.24 -3.145182300e+00 -1.118697300e+00 2.014265550e-02 2.26 -3.269028078e+00 -1.424821494e+00 -3.674200204e-01 2.28 -3.379930512e+00 -1.706953131e+00 -7.243178318e-01 2.30 -3.478797288e+00 -1.966428727e+00 -1.052473681e+00 2.32 -3.566368741e+00 -2.204367307e+00 -1.353719746e+00 2.34 -3.643248051e+00 -2.421715120e+00 -1.629782147e+00 2.36 -3.709943217e+00 -2.619291063e+00 -1.882286189e+00 2.38 -3.766910659e+00 -2.797832542e+00 -2.112777695e+00 2.40 -3.814592382e+00 -2.958040913e+00 -2.322751396e+00 2.42 -3.853441037e+00 -3.100624418e+00 -2.513676974e+00 2.44 -3.883929751e+00 -3.226819742e+00 -2.687013948e+00 2.46 -3.906546265e+00 -3.338186652e+00 -2.844209047e+00 2.48 -3.921774368e+00 -3.435415012e+00 -2.986674260e+00 2.50 -3.930068805e+00 -3.519305452e+00 -3.116236760e+00 2.52 -3.931831798e+00 -3.590785924e+00 -3.234703734e+00 2.54 -3.927399404e+00 -3.650899664e+00 -3.342874585e+00 2.56 -3.917402287e+00 -3.700784810e+00 -3.441412768e+00 2.58 -3.903922374e+00 -3.741644624e+00 -3.530841491e+00 2.60 -3.886757706e+00 -3.774706086e+00 -3.611546230e+00 2.62 -3.865443133e+00 -3.801165269e+00 -3.683790987e+00 2.64 -3.839694303e+00 -3.822122745e+00 -3.747742448e+00 2.66 -3.809431206e+00 -3.838519464e+00 -3.803496790e+00 2.68 -3.774785070e+00 -3.851088794e+00 -3.851106864e+00 2.70 -3.736083246e+00 -3.860337235e+00 -3.890609457e+00 2.72 -3.693814556e+00 -3.866557148e+00 -3.922053796e+00 2.74 -3.648605361e+00 -3.869864292e+00 -3.945532133e+00 2.76 -3.601151805e+00 -3.870308762e+00 -3.961211826e+00 2.78 -3.552134456e+00 -3.868361453e+00 -3.969366391e+00 2.80 -3.502176967e+00 -3.864694955e+00 -3.970401195e+00 2.82 -3.451815056e+00 -3.858942775e+00 -3.964868403e+00 2.84 -3.401474821e+00 -3.850556118e+00 -3.953466022e+00 2.86 -3.351461511e+00 -3.839106315e+00 -3.937400829e+00 2.88 -3.301960445e+00 -3.824277465e+00 -3.919174788e+00 2.90 -3.253049871e+00 -3.805863247e+00 -3.899232834e+00 2.92 -3.204723175e+00 -3.783766732e+00 -3.877804138e+00 2.94 -3.156915543e+00 -3.758000767e+00 -3.855141584e+00 2.96 -3.109529840e+00 -3.728686626e+00 -3.831468394e+00 2.98 -3.062458166e+00 -3.696053269e+00 -3.806941286e+00 3.00 -3.015597065e+00 -3.660429644e+00 -3.781634250e+00 3.02 -2.968856437e+00 -3.622222505e+00 -3.755541863e+00 3.04 -2.922163243e+00 -3.581877018e+00 -3.728596019e+00 3.06 -2.875461566e+00 -3.539848782e+00 -3.700697324e+00 3.08 -2.828710631e+00 -3.496576739e+00 -3.671742490e+00 3.10 -2.781893409e+00 -3.452458856e+00 -3.641622166e+00 3.12 -2.735025757e+00 -3.407832630e+00 -3.610233091e+00 3.14 -2.688126908e+00 -3.362962725e+00 -3.577486410e+00 3.16 -2.641215443e+00 -3.318036658e+00 -3.543311375e+00 3.18 -2.594310024e+00 -3.273168688e+00 -3.507655883e+00 3.20 -2.547430390e+00 -3.228409927e+00 -3.470485155e+00 3.22 -2.500598351e+00 -3.183762198e+00 -3.431779674e+00 3.24 -2.453838528e+00 -3.139192897e+00 -3.391533087e+00 3.26 -2.407178589e+00 -3.094648783e+00 -3.349750782e+00 3.28 -2.360648873e+00 -3.050067450e+00 -3.306449391e+00 3.30 -2.314281452e+00 -3.005386102e+00 -3.261657479e+00 3.32 -2.268108791e+00 -2.960547800e+00 -3.215417412e+00 3.34 -2.222162289e+00 -2.915505614e+00 -3.167788217e+00 3.36 -2.176470985e+00 -2.870225198e+00 -3.118849043e+00 3.38 -2.131060580e+00 -2.824686240e+00 -3.068702596e+00 3.40 -2.085953037e+00 -2.778891786e+00 -3.017477836e+00 3.42 -2.041166650e+00 -2.732876963e+00 -2.965331177e+00 3.44 -1.996716637e+00 -2.686688529e+00 -2.912445611e+00 3.46 -1.952615903e+00 -2.640381267e+00 -2.859027442e+00 3.48 -1.908876042e+00 -2.594016727e+00 -2.805301271e+00 3.50 -1.865508202e+00 -2.547661525e+00 -2.751521456e+00 3.52 -1.822523773e+00 -2.501385341e+00 -2.697962219e+00 3.54 -1.779934656e+00 -2.455258757e+00 -2.644880528e+00 3.56 -1.737753231e+00 -2.409351094e+00 -2.592505884e+00 3.58 -1.695991888e+00 -2.363728359e+00 -2.541032983e+00 3.60 -1.654662210e+00 -2.318451412e+00 -2.490616419e+00 3.62 -1.613773908e+00 -2.273574404e+00 -2.441367920e+00 3.64 -1.573333577e+00 -2.229143504e+00 -2.393356376e+00 3.66 -1.533343427e+00 -2.185195951e+00 -2.346610473e+00 3.68 -1.493800057e+00 -2.141759399e+00 -2.301123399e+00 3.70 -1.454693412e+00 -2.098851550e+00 -2.256858842e+00 3.72 -1.416005962e+00 -2.056480077e+00 -2.213757481e+00 3.74 -1.377712221e+00 -2.014642804e+00 -2.171743304e+00 3.76 -1.339778621e+00 -1.973328155e+00 -2.130729312e+00 3.78 -1.302163849e+00 -1.932515841e+00 -2.090622405e+00 3.80 -1.264819666e+00 -1.892177778e+00 -2.051327433e+00 3.82 -1.227692306e+00 -1.852279203e+00 -2.012750503e+00 3.84 -1.190724489e+00 -1.812779952e+00 -1.974801673e+00 3.86 -1.153858098e+00 -1.773635857e+00 -1.937397157e+00 3.88 -1.117037531e+00 -1.734800207e+00 -1.900461140e+00 3.90 -1.080213645e+00 -1.696225209e+00 -1.863927217e+00 3.92 -1.043348156e+00 -1.657863407e+00 -1.827739478e+00 3.94 -1.006418244e+00 -1.619669057e+00 -1.791853252e+00 3.96 -9.694208524e-01 -1.581599311e+00 -1.756235312e+00 3.98 -9.323763033e-01 -1.543615402e+00 -1.720863766e+00 4.00 -8.953304983e-01 -1.505683712e+00 -1.685727452e+00 4.02 -8.583551849e-01 -1.467776839e+00 -1.650824940e+00 4.04 -8.215458467e-01 -1.429874694e+00 -1.616163215e+00 4.06 -7.850170955e-01 -1.391965693e+00 -1.581756112e+00 4.08 -7.488958500e-01 -1.354048032e+00 -1.547622642e+00 4.10 -7.133130247e-01 -1.316131011e+00 -1.513785285e+00 4.12 -6.783948138e-01 -1.278236445e+00 -1.480268358e+00 4.14 -6.442548165e-01 -1.240399621e+00 -1.447096537e+00 4.16 -6.109881506e-01 -1.202670162e+00 -1.414293569e+00 4.18 -5.786683578e-01 -1.165112152e+00 -1.381881212e+00 4.20 -5.473473660e-01 -1.127803532e+00 -1.349878394e+00 4.22 -5.170583498e-01 -1.090834579e+00 -1.318300586e+00 4.24 -4.878204500e-01 -1.054305456e+00 -1.287159364e+00 4.26 -4.596447260e-01 -1.018322849e+00 -1.256462122e+00 4.28 -4.325399148e-01 -9.829958648e-01 -1.226211912e+00 4.30 -4.065171393e-01 -9.484313994e-01 -1.196407371e+00 4.32 -3.815928381e-01 -9.147292893e-01 -1.167042722e+00 4.34 -3.577895722e-01 -8.819775882e-01 -1.138107805e+00 4.36 -3.351347496e-01 -8.502483368e-01 -1.109588149e+00 4.38 -3.136576694e-01 -8.195941718e-01 -1.081465043e+00 4.40 -2.933854540e-01 -7.900460495e-01 -1.053715629e+00 4.42 -2.743386766e-01 -7.616122524e-01 -1.026313003e+00 4.44 -2.565273320e-01 -7.342787033e-01 -9.992263265e-01 4.46 -2.399477428e-01 -7.080104727e-01 -9.724209758e-01 4.48 -2.245807499e-01 -6.827542468e-01 -9.458587245e-01 4.50 -2.103913052e-01 -6.584414561e-01 -9.194979967e-01 4.52 -1.973293735e-01 -6.349917498e-01 -8.932941791e-01 4.54 -1.853318944e-01 -6.123165337e-01 -8.672002032e-01 4.56 -1.743254584e-01 -5.903223570e-01 -8.411669655e-01 4.58 -1.642293487e-01 -5.689140127e-01 -8.151442562e-01 4.60 -1.549586154e-01 -5.479972914e-01 -7.890817345e-01 4.62 -1.464269344e-01 -5.274813915e-01 -7.629301812e-01 4.64 -1.385490819e-01 -5.072810256e-01 -7.366430069e-01 4.66 -1.312429413e-01 -4.873182848e-01 -7.101780174e-01 4.68 -1.244310342e-01 -4.675243157e-01 -6.834994129e-01 4.70 -1.180416130e-01 -4.478408509e-01 -6.565799698e-01 4.72 -1.120093869e-01 -4.282216054e-01 -6.294033228e-01 4.74 -1.062759631e-01 -4.086335179e-01 -6.019662300e-01 4.76 -1.007900818e-01 -3.890577878e-01 -5.742806738e-01 4.78 -9.550770781e-02 -3.694906296e-01 -5.463756276e-01 4.80 -9.039205371e-02 -3.499436436e-01 -5.182983126e-01 4.82 -8.541350481e-02 -3.304438137e-01 -4.901147744e-01 4.84 -8.054949955e-02 -3.110328019e-01 -4.619096458e-01 4.86 -7.578472490e-02 -2.917658523e-01 -4.337850030e-01 4.88 -7.111046626e-02 -2.727100258e-01 -4.058582893e-01 4.90 -6.652317387e-02 -2.539419158e-01 -3.782593457e-01 4.92 -6.202527929e-02 -2.355449033e-01 -3.511266549e-01 4.94 -5.762435703e-02 -2.176060648e-01 -3.246029687e-01 4.96 -5.333213702e-02 -2.002128748e-01 -2.988305343e-01 4.98 -4.916339970e-02 -1.834498647e-01 -2.739461808e-01 5.00 -4.513479196e-02 -1.673954111e-01 -2.500765425e-01 5.02 -4.126361214e-02 -1.521188292e-01 -2.273337060e-01 5.04 -3.756662980e-02 -1.376779334e-01 -2.058115489e-01 5.06 -3.405900841e-02 -1.241172030e-01 -1.855829914e-01 5.08 -3.075343215e-02 -1.114666474e-01 -1.666983192e-01 5.10 -2.765945397e-02 -9.974141305e-02 -1.491846413e-01 5.12 -2.478310170e-02 -8.894211172e-02 -1.330464570e-01 5.14 -2.212674458e-02 -7.905579545e-02 -1.182672084e-01 5.16 -1.968892058e-02 -7.005745152e-02 -1.048116288e-01 5.18 -1.746485648e-02 -6.191187261e-02 -9.262864642e-02 5.20 -1.544766283e-02 -5.457573536e-02 -8.165459322e-02 5.22 -1.362802836e-02 -4.799971453e-02 -7.181648188e-02 5.24 -1.199478853e-02 -4.213052920e-02 -6.303514577e-02 5.26 -1.053550398e-02 -3.691279331e-02 -5.522810552e-02 5.28 -9.236989657e-03 -3.229065052e-02 -4.831205088e-02 5.30 -8.085773446e-03 -2.820911606e-02 -4.220486624e-02 5.32 -7.068474348e-03 -2.461506153e-02 -3.682721821e-02 5.34 -6.172098729e-03 -2.145764792e-02 -3.210373312e-02 5.36 -5.384259339e-03 -1.868999390e-02 -2.796384726e-02 5.38 -4.693325627e-03 -1.626909240e-02 -2.434227569e-02 5.40 -4.088515842e-03 -1.415506893e-02 -2.117897326e-02 5.42 -3.559941863e-03 -1.231141623e-02 -1.841913930e-02 5.44 -3.098617234e-03 -1.070530953e-02 -1.601502571e-02 5.46 -2.696437810e-03 -9.307405927e-03 -1.392299098e-02 5.48 -2.346143041e-03 -8.091607359e-03 -1.210376224e-02 5.50 -2.041264509e-03 -7.034803408e-03 -1.052261821e-02 5.52 -1.776066948e-03 -6.116606862e-03 -9.148965531e-03 5.54 -1.545485763e-03 -5.319091611e-03 -7.955919132e-03 5.56 -1.345064017e-03 -4.626539787e-03 -6.919947392e-03 5.58 -1.170890969e-03 -4.025202761e-03 -6.020450583e-03 5.60 -1.019543602e-03 -3.503078891e-03 -5.239461523e-03 5.62 -8.880320022e-04 -3.049709505e-03 -4.561326917e-03 5.64 -7.737490789e-04 -2.655993585e-03 -3.972427936e-03 5.66 -6.744248052e-04 -2.314020902e-03 -3.460929204e-03 5.68 -5.880849633e-04 -2.016922853e-03 -3.016554785e-03 5.70 -5.130142291e-04 -1.758739903e-03 -2.630389352e-03 5.72 -4.477233471e-04 -1.534304396e-03 -2.294702557e-03 5.74 -3.909200921e-04 -1.339137373e-03 -2.002794489e-03 5.76 -3.414836911e-04 -1.169358058e-03 -1.748860153e-03 5.78 -2.984423738e-04 -1.021604677e-03 -1.527870971e-03 5.80 -2.609537274e-04 -8.929653805e-04 -1.335471401e-03 5.82 -2.282875477e-04 -7.809180908e-04 -1.167888951e-03 5.84 -1.998108999e-04 -6.832782182e-04 -1.021855952e-03 5.86 -1.749751277e-04 -5.981532807e-04 -8.945416753e-04 5.88 -1.533045697e-04 -5.239035595e-04 -7.834934781e-04 5.90 -1.343867729e-04 -4.591080207e-04 -6.865858264e-04 5.92 -1.178640095e-04 -4.025348193e-04 -6.019761759e-04 5.94 -1.034259313e-04 -3.531157853e-04 -5.280668065e-04 5.96 -9.080320979e-05 -3.099243619e-04 -4.634718234e-04 5.98 -7.976203509e-05 -2.721565366e-04 -4.069886327e-04 6.00 -7.009935623e-05 -2.391143602e-04 -3.575732900e-04