# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Ni # implementation = 2018--Jeong-G-U--Pd-Ni--LAMMPS--ipr1 # composition = NiPd3 # 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 1.437080314e+03 nan nan 0.86 1.325320770e+03 nan nan 0.88 1.221956124e+03 nan nan 0.90 1.126371322e+03 nan nan 0.92 1.037995444e+03 1.144807549e+03 nan 0.94 9.562985972e+02 1.064420052e+03 1.446631500e+03 0.96 8.807890174e+02 9.894392641e+02 1.347086114e+03 0.98 8.110103790e+02 9.195126410e+02 1.254106533e+03 1.00 7.465392874e+02 8.543100473e+02 1.167273356e+03 1.02 6.869829476e+02 7.935223634e+02 1.086193250e+03 1.04 6.319769944e+02 7.368601765e+02 1.010497367e+03 1.06 5.811834743e+02 6.840525530e+02 9.398398590e+02 1.08 5.342889682e+02 6.348458841e+02 8.738964785e+02 1.10 4.910028447e+02 5.890028036e+02 8.123632607e+02 1.12 4.510556368e+02 5.463011715e+02 7.549552874e+02 1.14 4.141975305e+02 5.065331194e+02 7.014055228e+02 1.16 3.801969613e+02 4.695041550e+02 6.514637199e+02 1.18 3.488393073e+02 4.350323223e+02 6.048953910e+02 1.20 3.199256762e+02 4.029474119e+02 5.614808414e+02 1.22 2.932717753e+02 3.730902212e+02 5.210142594e+02 1.24 2.687068635e+02 3.453118603e+02 4.833028627e+02 1.26 2.460727752e+02 3.194730996e+02 4.481660945e+02 1.28 2.252230143e+02 2.954437591e+02 4.154348691e+02 1.30 2.060219119e+02 2.731021347e+02 3.849508623e+02 1.32 1.883438440e+02 2.523344605e+02 3.565658454e+02 1.34 1.720725035e+02 2.330344037e+02 3.301410583e+02 1.36 1.571002255e+02 2.151025922e+02 3.055466219e+02 1.38 1.433273594e+02 1.984461702e+02 2.826609850e+02 1.40 1.306616860e+02 1.829783827e+02 2.613704054e+02 1.42 1.190178764e+02 1.686181849e+02 2.415684623e+02 1.44 1.083169890e+02 1.552898768e+02 2.231555984e+02 1.46 9.848600283e+01 1.429227601e+02 2.060386901e+02 1.48 8.945738423e+01 1.314508168e+02 1.901306437e+02 1.50 8.116868451e+01 1.208124084e+02 1.753500163e+02 1.52 7.356216646e+01 1.109499929e+02 1.616206601e+02 1.54 6.658445776e+01 1.018098610e+02 1.488713884e+02 1.56 6.018622929e+01 9.334188756e+01 1.370356620e+02 1.58 5.432189667e+01 8.549929970e+01 1.260512952e+02 1.60 4.894934331e+01 7.823845920e+01 1.158601795e+02 1.62 4.402966352e+01 7.151865865e+01 1.064080248e+02 1.64 3.952692417e+01 6.530193051e+01 9.764411616e+01 1.66 3.540794367e+01 5.955286841e+01 8.952108583e+01 1.68 3.164208699e+01 5.423845965e+01 8.199469950e+01 1.70 2.820107564e+01 4.932792851e+01 7.502365569e+01 1.72 2.505881136e+01 4.479258939e+01 6.856939759e+01 1.74 2.219121289e+01 4.060570950e+01 6.259593674e+01 1.76 1.957606445e+01 3.674238017e+01 5.706968762e+01 1.78 1.719287552e+01 3.317939653e+01 5.195931265e+01 1.80 1.502275070e+01 2.989514479e+01 4.723557683e+01 1.82 1.304826934e+01 2.686949692e+01 4.287121154e+01 1.84 1.125337386e+01 2.408371191e+01 3.884078690e+01 1.86 9.623266445e+00 2.152034360e+01 3.512059213e+01 1.88 8.144313220e+00 1.916315428e+01 3.168852352e+01 1.90 6.803955671e+00 1.699703406e+01 2.852397941e+01 1.92 5.590628519e+00 1.500792527e+01 2.560776184e+01 1.94 4.493683762e+00 1.318275196e+01 2.292198445e+01 1.96 3.503320330e+00 1.150935383e+01 2.044998624e+01 1.98 2.610519008e+00 9.976424586e+00 1.817625078e+01 2.00 1.806982208e+00 8.573454212e+00 1.608633061e+01 2.02 1.085078259e+00 7.290675116e+00 1.416677643e+01 2.04 4.377898654e-01 6.119011734e+00 1.240507090e+01 2.06 -1.413335513e-01 5.050033480e+00 1.078956657e+01 2.08 -6.582199292e-01 4.075910775e+00 9.309427938e+00 2.10 -1.118315314e+00 3.189373981e+00 7.954577102e+00 2.12 -1.526621523e+00 2.383675044e+00 6.715643029e+00 2.14 -1.887730960e+00 1.652551676e+00 5.583914048e+00 2.16 -2.205858779e+00 9.901939129e-01 4.551293439e+00 2.18 -2.484872610e+00 3.912128932e-01 3.610257900e+00 2.20 -2.728320006e+00 -1.493882835e-01 2.753818729e+00 2.22 -2.939453798e+00 -6.362417543e-01 1.975485525e+00 2.24 -3.121255508e+00 -1.073640271e+00 1.269232273e+00 2.26 -3.276456959e+00 -1.465560877e+00 6.294656430e-01 2.28 -3.407560225e+00 -1.815686996e+00 5.099537865e-02 2.30 -3.516856039e+00 -2.127429032e+00 -4.709933714e-01 2.32 -3.606440780e+00 -2.403943578e+00 -9.409658924e-01 2.34 -3.678232140e+00 -2.648151330e+00 -1.363062035e+00 2.36 -3.733983570e+00 -2.862753782e+00 -1.741118746e+00 2.38 -3.775297613e+00 -3.050248787e+00 -2.078691105e+00 2.40 -3.803638174e+00 -3.212945065e+00 -2.379071953e+00 2.42 -3.820341852e+00 -3.352975708e+00 -2.645310217e+00 2.44 -3.826628359e+00 -3.472310772e+00 -2.880228005e+00 2.46 -3.823610142e+00 -3.572768999e+00 -3.086436550e+00 2.48 -3.812301221e+00 -3.656028731e+00 -3.266351090e+00 2.50 -3.793625347e+00 -3.723638080e+00 -3.422204731e+00 2.52 -3.768423499e+00 -3.777024382e+00 -3.556061384e+00 2.54 -3.737460791e+00 -3.817503004e+00 -3.669827821e+00 2.56 -3.701432821e+00 -3.846285538e+00 -3.765264902e+00 2.58 -3.660971521e+00 -3.864487418e+00 -3.843998053e+00 2.60 -3.616650526e+00 -3.873135011e+00 -3.907527010e+00 2.62 -3.568990114e+00 -3.873172208e+00 -3.957234906e+00 2.64 -3.518461751e+00 -3.865466548e+00 -3.994396728e+00 2.66 -3.465492262e+00 -3.850814914e+00 -4.020187192e+00 2.68 -3.410467663e+00 -3.829948828e+00 -4.035688070e+00 2.70 -3.353736682e+00 -3.803539362e+00 -4.041895014e+00 2.72 -3.295613991e+00 -3.772201707e+00 -4.039723899e+00 2.74 -3.236383172e+00 -3.736499414e+00 -4.030016724e+00 2.76 -3.176299434e+00 -3.696948327e+00 -4.013547103e+00 2.78 -3.115592118e+00 -3.654020237e+00 -3.991025368e+00 2.80 -3.054466974e+00 -3.608146274e+00 -3.963103307e+00 2.82 -2.993108268e+00 -3.559720045e+00 -3.930378576e+00 2.84 -2.931680697e+00 -3.509100558e+00 -3.893398790e+00 2.86 -2.870331156e+00 -3.456614915e+00 -3.852665323e+00 2.88 -2.809190344e+00 -3.402560827e+00 -3.808636845e+00 2.90 -2.748374240e+00 -3.347208928e+00 -3.761732591e+00 2.92 -2.687985455e+00 -3.290804928e+00 -3.712335407e+00 2.94 -2.628114467e+00 -3.233571604e+00 -3.660794566e+00 2.96 -2.568840746e+00 -3.175710641e+00 -3.607428389e+00 2.98 -2.510233786e+00 -3.117404340e+00 -3.552526666e+00 3.00 -2.452354050e+00 -3.058817193e+00 -3.496352908e+00 3.02 -2.395253827e+00 -3.000097343e+00 -3.439146424e+00 3.04 -2.338978015e+00 -2.941377935e+00 -3.381124255e+00 3.06 -2.283564844e+00 -2.882778357e+00 -3.322482961e+00 3.08 -2.229046520e+00 -2.824405396e+00 -3.263400269e+00 3.10 -2.175449826e+00 -2.766354299e+00 -3.204036606e+00 3.12 -2.122796661e+00 -2.708709753e+00 -3.144536522e+00 3.14 -2.071104534e+00 -2.651546795e+00 -3.085030547e+00 3.16 -2.020387011e+00 -2.594931641e+00 -3.025637745e+00 3.18 -1.970654125e+00 -2.538922459e+00 -2.966461659e+00 3.20 -1.921912748e+00 -2.483570079e+00 -2.907587154e+00 3.22 -1.874166922e+00 -2.428918642e+00 -2.849103024e+00 3.24 -1.827418171e+00 -2.375006209e+00 -2.791082864e+00 3.26 -1.781665774e+00 -2.321865305e+00 -2.733591577e+00 3.28 -1.736907018e+00 -2.269523435e+00 -2.676686235e+00 3.30 -1.693137425e+00 -2.218003549e+00 -2.620416772e+00 3.32 -1.650350957e+00 -2.167324471e+00 -2.564826617e+00 3.34 -1.608540204e+00 -2.117501295e+00 -2.509953276e+00 3.36 -1.567696549e+00 -2.068545746e+00 -2.455828873e+00 3.38 -1.527810324e+00 -2.020466513e+00 -2.402480642e+00 3.40 -1.488870941e+00 -1.973269552e+00 -2.349931381e+00 3.42 -1.450867023e+00 -1.926958365e+00 -2.298199871e+00 3.44 -1.413786507e+00 -1.881534256e+00 -2.247301259e+00 3.46 -1.377616746e+00 -1.836996561e+00 -2.197247408e+00 3.48 -1.342344602e+00 -1.793342866e+00 -2.148047220e+00 3.50 -1.307956522e+00 -1.750569196e+00 -2.099706932e+00 3.52 -1.274438609e+00 -1.708670197e+00 -2.052230389e+00 3.54 -1.241776690e+00 -1.667639296e+00 -2.005619284e+00 3.56 -1.209956368e+00 -1.627468846e+00 -1.959873392e+00 3.58 -1.178963077e+00 -1.588150264e+00 -1.914990776e+00 3.60 -1.148776959e+00 -1.549674150e+00 -1.870967969e+00 3.62 -1.118659403e+00 -1.512030399e+00 -1.827800156e+00 3.64 -1.089635073e+00 -1.475208298e+00 -1.785481323e+00 3.66 -1.090239641e+00 -1.439196621e+00 -1.744004404e+00 3.68 -1.083895361e+00 -1.403983709e+00 -1.703361410e+00 3.70 -1.061783755e+00 -1.369557544e+00 -1.663543548e+00 3.72 -1.040140260e+00 -1.335905814e+00 -1.624541325e+00 3.74 -1.018949721e+00 -1.303015976e+00 -1.586344650e+00 3.76 -9.981973957e-01 -1.270875310e+00 -1.548942917e+00 3.78 -9.778689791e-01 -1.239470963e+00 -1.512325090e+00 3.80 -9.579506356e-01 -1.208789998e+00 -1.476479770e+00 3.82 -9.384290222e-01 -1.178806107e+00 -1.441395261e+00 3.84 -9.192913108e-01 -1.148335790e+00 -1.407059630e+00 3.86 -9.005252062e-01 -1.111786140e+00 -1.373460759e+00 3.88 -8.821189613e-01 -1.061800645e+00 -1.340586389e+00 3.90 -8.640613883e-01 -1.016771316e+00 -1.308424166e+00 3.92 -8.463418668e-01 -9.913100552e-01 -1.276961677e+00 3.94 -8.289457796e-01 -9.664670051e-01 -1.246186481e+00 3.96 -8.079908546e-01 -9.422291658e-01 -1.216086144e+00 3.98 -7.529377149e-01 -9.185837200e-01 -1.186648259e+00 4.00 -5.857554096e-01 -8.955180412e-01 -1.157860475e+00 4.02 -2.603047113e-01 -8.730197018e-01 -1.129710513e+00 4.04 -2.303059575e-01 -8.510764790e-01 -1.102186187e+00 4.06 -2.232505536e-01 -8.296763597e-01 -1.075275416e+00 4.08 -2.164070973e-01 -8.088075442e-01 -1.048966242e+00 4.10 -2.097694566e-01 -7.884584483e-01 -1.023246839e+00 4.12 -2.033316540e-01 -7.686177057e-01 -9.981055201e-01 4.14 -1.970878652e-01 -7.492741680e-01 -9.735307528e-01 4.16 -1.910324175e-01 -7.304169054e-01 -9.495111600e-01 4.18 -1.851597871e-01 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