# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Mo # implementation = 2018--Jeong-G-U--Pd-Mo--LAMMPS--ipr1 # composition = Mo3Pd # 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 1.128637799e+03 nan nan 0.86 1.056006620e+03 nan nan 0.88 9.877397836e+02 nan nan 0.90 9.235902763e+02 nan nan 0.92 8.633241254e+02 1.002362812e+03 nan 0.94 8.067197791e+02 9.428091903e+02 1.109533220e+03 0.96 7.535675102e+02 8.865636835e+02 1.046047323e+03 0.98 7.036688422e+02 8.334526975e+02 9.859467731e+02 1.00 6.568359995e+02 7.833111632e+02 9.290619616e+02 1.02 6.128913803e+02 7.359821584e+02 8.752311731e+02 1.04 5.716670507e+02 6.913165428e+02 8.243002556e+02 1.06 5.330042615e+02 6.491726076e+02 7.761223041e+02 1.08 4.967529853e+02 6.094157363e+02 7.305573545e+02 1.10 4.627714735e+02 5.719180804e+02 6.874720876e+02 1.12 4.309258341e+02 5.365582466e+02 6.467395433e+02 1.14 4.010896272e+02 5.032209965e+02 6.082388457e+02 1.16 3.731434801e+02 4.717969586e+02 5.718549370e+02 1.18 3.469747189e+02 4.421823518e+02 5.374783222e+02 1.20 3.224770185e+02 4.142787200e+02 5.050048226e+02 1.22 2.995500682e+02 3.879926787e+02 4.743353389e+02 1.24 2.780992532e+02 3.632356713e+02 4.453756235e+02 1.26 2.580353518e+02 3.399237359e+02 4.180360614e+02 1.28 2.392742473e+02 3.179772831e+02 3.922314598e+02 1.30 2.217366529e+02 2.973208821e+02 3.678808462e+02 1.32 2.053478515e+02 2.778830572e+02 3.449072743e+02 1.34 1.900374475e+02 2.595960930e+02 3.232376382e+02 1.36 1.757391312e+02 2.423958482e+02 3.028024940e+02 1.38 1.623904551e+02 2.262215782e+02 2.835358889e+02 1.40 1.499326217e+02 2.110157650e+02 2.653751971e+02 1.42 1.383102814e+02 1.967239557e+02 2.482609633e+02 1.44 1.274713417e+02 1.832946082e+02 2.321367523e+02 1.46 1.173667858e+02 1.706789436e+02 2.169490051e+02 1.48 1.079505000e+02 1.588308062e+02 2.026469018e+02 1.50 9.917911172e+01 1.477065299e+02 1.891822296e+02 1.52 9.101183405e+01 1.372648103e+02 1.765092572e+02 1.54 8.341032006e+01 1.274665840e+02 1.645846147e+02 1.56 7.633852406e+01 1.182749126e+02 1.533671788e+02 1.58 6.976257045e+01 1.096548730e+02 1.428179627e+02 1.60 6.365062963e+01 1.015734529e+02 1.329000119e+02 1.62 5.797280056e+01 9.399945099e+01 1.235783036e+02 1.64 5.270099965e+01 8.690338256e+01 1.148196519e+02 1.66 4.780885575e+01 8.025738935e+01 1.065926163e+02 1.68 4.327161082e+01 7.403515409e+01 9.886741486e+01 1.70 3.906602610e+01 6.821181917e+01 9.161584149e+01 1.72 3.517029335e+01 6.276390939e+01 8.481118700e+01 1.74 3.156395116e+01 5.766925861e+01 7.842816376e+01 1.76 2.822780574e+01 5.290694000e+01 7.244283398e+01 1.78 2.514385622e+01 4.845719994e+01 6.683254139e+01 1.80 2.229522414e+01 4.430139515e+01 6.157584615e+01 1.82 1.966608685e+01 4.042193308e+01 5.665246289e+01 1.84 1.724161468e+01 3.680221533e+01 5.204320168e+01 1.86 1.500791172e+01 3.342658397e+01 4.772991187e+01 1.88 1.295195987e+01 3.028027065e+01 4.369542865e+01 1.90 1.106156619e+01 2.734934824e+01 3.992352217e+01 1.92 9.325313145e+00 2.462068512e+01 3.639884920e+01 1.94 7.732511830e+00 2.208190172e+01 3.310690711e+01 1.96 6.273157785e+00 1.972132936e+01 3.003399008e+01 1.98 4.937889425e+00 1.752797131e+01 2.716714759e+01 2.00 3.717948858e+00 1.549146578e+01 2.449414479e+01 2.02 2.605144994e+00 1.360205094e+01 2.200342500e+01 2.04 1.591818794e+00 1.185053179e+01 1.968407398e+01 2.06 6.708105685e-01 1.022824868e+01 1.752578602e+01 2.08 -1.645708109e-01 8.727047631e+00 1.551883173e+01 2.10 -9.205768874e-01 7.339252180e+00 1.365402745e+01 2.12 -1.603046875e+00 6.057636700e+00 1.192270618e+01 2.14 -2.217433304e+00 4.875401192e+00 1.031669003e+01 2.16 -2.768826141e+00 3.786147410e+00 8.828264037e+00 2.18 -3.261975468e+00 2.783856275e+00 7.450151333e+00 2.20 -3.701312802e+00 1.862866511e+00 6.175489551e+00 2.22 -4.090971148e+00 1.017854423e+00 4.997808483e+00 2.24 -4.434803824e+00 2.438147944e-01 3.911008859e+00 2.26 -4.736402174e+00 -4.639572005e-01 2.909342233e+00 2.28 -4.999112187e+00 -1.109883080e+00 1.987391902e+00 2.30 -5.226050122e+00 -1.698117217e+00 1.140054820e+00 2.32 -5.420117174e+00 -2.232562105e+00 3.625244511e-01 2.34 -5.584013247e+00 -2.716882797e+00 -3.497254855e-01 2.36 -5.720249883e+00 -3.154520539e+00 -1.000956416e+00 2.38 -5.831162397e+00 -3.548705662e+00 -1.595179508e+00 2.40 -5.918921263e+00 -3.902469749e+00 -2.136169498e+00 2.42 -5.985542799e+00 -4.218657134e+00 -2.627477790e+00 2.44 -6.032899190e+00 -4.499935767e+00 -3.072444863e+00 2.46 -6.062727881e+00 -4.748807460e+00 -3.474212017e+00 2.48 -6.076640397e+00 -4.967617574e+00 -3.835732500e+00 2.50 -6.076130599e+00 -5.158564155e+00 -4.159782038e+00 2.52 -6.062582432e+00 -5.323706565e+00 -4.448968807e+00 2.54 -6.037277178e+00 -5.464973617e+00 -4.705742865e+00 2.56 -6.001400257e+00 -5.584171264e+00 -4.932405085e+00 2.58 -5.956047591e+00 -5.682989843e+00 -5.131115602e+00 2.60 -5.902231575e+00 -5.763010914e+00 -5.303901807e+00 2.62 -5.840886653e+00 -5.825713707e+00 -5.452665904e+00 2.64 -5.772874550e+00 -5.872481210e+00 -5.579192068e+00 2.66 -5.698989159e+00 -5.904605895e+00 -5.685153202e+00 2.68 -5.619961122e+00 -5.923295134e+00 -5.772117332e+00 2.70 -5.536462107e+00 -5.929676288e+00 -5.841553653e+00 2.72 -5.449108812e+00 -5.924801514e+00 -5.894838243e+00 2.74 -5.358466709e+00 -5.909652290e+00 -5.933259462e+00 2.76 -5.265053539e+00 -5.885143682e+00 -5.958023056e+00 2.78 -5.169342582e+00 -5.852128357e+00 -5.970256979e+00 2.80 -5.071765708e+00 -5.811400367e+00 -5.971015950e+00 2.82 -4.972716227e+00 -5.763698716e+00 -5.961285751e+00 2.84 -4.872551549e+00 -5.709710706e+00 -5.941987297e+00 2.86 -4.771595665e+00 -5.650075103e+00 -5.913980469e+00 2.88 -4.670141461e+00 -5.585385098e+00 -5.878067738e+00 2.90 -4.568452874e+00 -5.516191109e+00 -5.834997587e+00 2.92 -4.466766900e+00 -5.443003407e+00 -5.785467739e+00 2.94 -4.365295464e+00 -5.366294586e+00 -5.730128202e+00 2.96 -4.264227156e+00 -5.286501890e+00 -5.669584145e+00 2.98 -4.163728847e+00 -5.204029392e+00 -5.604398611e+00 3.00 -4.063947187e+00 -5.119250048e+00 -5.535095074e+00 3.02 -3.965009990e+00 -5.032507620e+00 -5.462159855e+00 3.04 -3.867027516e+00 -4.944118485e+00 -5.386044392e+00 3.06 -3.770093655e+00 -4.854373329e+00 -5.307167390e+00 3.08 -3.674287014e+00 -4.763538736e+00 -5.225916841e+00 3.10 -3.579671906e+00 -4.671858678e+00 -5.142651930e+00 3.12 -3.486299264e+00 -4.579555904e+00 -5.057704810e+00 3.14 -3.394207452e+00 -4.486833249e+00 -4.971380087e+00 3.16 -3.303423002e+00 -4.393874846e+00 -4.883951151e+00 3.18 -3.213961264e+00 -4.300847266e+00 -4.795682216e+00 3.20 -3.125826973e+00 -4.207900575e+00 -4.706845986e+00 3.22 -3.039014726e+00 -4.115169316e+00 -4.617639567e+00 3.24 -2.953509383e+00 -4.022773430e+00 -4.528264875e+00 3.26 -2.869286380e+00 -3.930819097e+00 -4.438907237e+00 3.28 -2.786311952e+00 -3.839399525e+00 -4.349736033e+00 3.30 -2.704543279e+00 -3.748595673e+00 -4.260905737e+00 3.32 -2.623928547e+00 -3.658476914e+00 -4.172556900e+00 3.34 -2.544406934e+00 -3.569101654e+00 -4.084817065e+00 3.36 -2.465908547e+00 -3.480517889e+00 -3.997801632e+00 3.38 -2.388354311e+00 -3.392763726e+00 -3.911614673e+00 3.40 -2.311655878e+00 -3.305867860e+00 -3.826349688e+00 3.42 -2.235715601e+00 -3.219850013e+00 -3.742090321e+00 3.44 -2.160426677e+00 -3.134721362e+00 -3.658911031e+00 3.46 -2.085673607e+00 -3.050484936e+00 -3.576877721e+00 3.48 -2.011333182e+00 -2.967136029e+00 -3.496048319e+00 3.50 -1.937276288e+00 -2.884662630e+00 -3.416473336e+00 3.52 -1.863370937e+00 -2.803045899e+00 -3.338196377e+00 3.54 -1.789487051e+00 -2.722260728e+00 -3.261254621e+00 3.56 -1.715503652e+00 -2.642276435e+00 -3.185679273e+00 3.58 -1.641319210e+00 -2.563057630e+00 -3.111495979e+00 3.60 -1.567115406e+00 -2.484565351e+00 -3.038725223e+00 3.62 -1.540995005e+00 -2.406758538e+00 -2.967382683e+00 3.64 -1.697791653e+00 -2.329595950e+00 -2.897479575e+00 3.66 -1.537952772e+00 -2.253038663e+00 -2.829022966e+00 3.68 -1.051671016e+00 -2.177053240e+00 -2.762016065e+00 3.70 -1.007365638e+00 -2.101615716e+00 -2.696458494e+00 3.72 -9.636253898e-01 -2.026716474e+00 -2.632346538e+00 3.74 -9.204720617e-01 -1.952366023e+00 -2.569673380e+00 3.76 -8.779419010e-01 -1.878601566e+00 -2.508429312e+00 3.78 -8.360875585e-01 -1.805494074e+00 -2.448601935e+00 3.80 -7.949796898e-01 -1.733155291e+00 -2.390176344e+00 3.82 -7.547079252e-01 -1.661659376e+00 -2.333135298e+00 3.84 -7.153808744e-01 -1.583852975e+00 -2.277459375e+00 3.86 -6.771248112e-01 -1.466598454e+00 -2.223127127e+00 3.88 -6.400807175e-01 -1.278928382e+00 -2.170115210e+00 3.90 -6.043994686e-01 -1.133266382e+00 -2.118398522e+00 3.92 -5.702351338e-01 -1.082817705e+00 -2.067950326e+00 3.94 -5.377612632e-01 -1.035591742e+00 -2.018742369e+00 3.96 -5.286334974e-01 -9.916626711e-01 -1.970745006e+00 3.98 -8.031452298e-01 -9.509975098e-01 -1.923927316e+00 4.00 -6.869243942e-01 -9.134606331e-01 -1.878257221e+00 4.02 -4.347391712e-01 -8.788294117e-01 -1.833701616e+00 4.04 -3.991741703e-01 -8.468182229e-01 -1.790226494e+00 4.06 -3.865760628e-01 -8.171067522e-01 -1.747797087e+00 4.08 -3.743351746e-01 -7.893681586e-01 -1.706378015e+00 4.10 -3.624435601e-01 -7.632932600e-01 -1.665933444e+00 4.12 -3.508933192e-01 -7.386081494e-01 -1.626427259e+00 4.14 -3.396766071e-01 -7.150841743e-01 -1.587823248e+00 4.16 -3.287856431e-01 -6.925406573e-01 -1.550085305e+00 4.18 -3.182127189e-01 -6.708418174e-01 -1.513177642e+00 4.20 -3.079502055e-01 -6.498899329e-01 -1.477065013e+00 4.22 -2.979905602e-01 -6.296168454e-01 -1.441712956e+00 4.24 -2.883263325e-01 -6.099755524e-01 -1.407088028e+00 4.26 -2.789501690e-01 -5.909330332e-01 -1.373158063e+00 4.28 -2.698548184e-01 -5.724648243e-01 -1.339892410e+00 4.30 -2.610331355e-01 -5.545513378e-01 -1.307262176e+00 4.32 -2.524780850e-01 -5.371756125e-01 -1.275240450e+00 4.34 -2.441827445e-01 -5.203220754e-01 -1.243802505e+00 4.36 -2.361403070e-01 -5.039759278e-01 -1.212925976e+00 4.38 -2.283440835e-01 -4.881228715e-01 -1.182590997e+00 4.40 -2.207875048e-01 -4.727489989e-01 -1.152780300e+00 4.42 -2.128775036e-01 -4.564890780e-01 -1.120626404e+00 4.44 -1.973532734e-01 -4.226316871e-01 -1.050379586e+00 4.46 -1.569249248e-01 -3.320642668e-01 -8.534312423e-01 4.48 -7.689810504e-02 -1.562597706e-01 -4.389082066e-01 4.50 -2.428515267e-24 -2.735086460e-23 -4.707946380e-23 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 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