# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Schopf-D-Brommer-P-Frigan-B-Trebin-H-R--Al-Mn-Pd # implementation = EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 # composition = MnPd2 # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 9.525933167e+02 1.18 8.148246974e+02 1.20 6.992728334e+02 1.22 6.020362844e+02 1.24 5.199536066e+02 1.26 4.504561661e+02 1.28 3.914602262e+02 1.30 3.412326119e+02 1.32 2.983345746e+02 1.34 2.616012632e+02 1.36 2.292214821e+02 1.38 2.011319858e+02 1.40 1.768785468e+02 1.42 1.558769820e+02 1.44 1.376361052e+02 1.46 1.217381500e+02 1.48 1.078537647e+02 1.50 9.573240405e+01 1.52 8.515251030e+01 1.54 7.583193293e+01 1.56 6.761964666e+01 1.58 6.036814782e+01 1.60 5.395729943e+01 1.62 4.829101376e+01 1.64 4.327601163e+01 1.66 3.881932028e+01 1.68 3.483992969e+01 1.70 3.127478795e+01 1.72 2.807577838e+01 1.74 2.520401392e+01 1.76 2.262559698e+01 1.78 2.030858310e+01 1.80 1.822180948e+01 1.82 1.633620492e+01 1.84 1.462675906e+01 1.86 1.307390961e+01 1.88 1.166308781e+01 1.90 1.038217844e+01 1.92 9.219370536e+00 1.94 8.162432233e+00 1.96 7.198729438e+00 1.98 6.315210592e+00 2.00 5.499274782e+00 2.02 4.739859278e+00 2.04 4.027662630e+00 2.06 3.355560547e+00 2.08 2.719056519e+00 2.10 2.115800232e+00 2.12 1.544721043e+00 2.14 1.005401655e+00 2.16 4.979029913e-01 2.18 2.277575363e-02 2.20 -4.192833016e-01 2.22 -8.282642793e-01 2.24 -1.205348281e+00 2.26 -1.552500734e+00 2.28 -1.871702088e+00 2.30 -2.164832042e+00 2.32 -2.434301005e+00 2.34 -2.683520856e+00 2.36 -2.916256911e+00 2.38 -3.134999699e+00 2.40 -3.339756963e+00 2.42 -3.528369999e+00 2.44 -3.697807237e+00 2.46 -3.845293948e+00 2.48 -3.968869257e+00 2.50 -4.067571198e+00 2.52 -4.141448304e+00 2.54 -4.191849625e+00 2.56 -4.221565290e+00 2.58 -4.234170468e+00 2.60 -4.232665956e+00 2.62 -4.218377221e+00 2.64 -4.191019881e+00 2.66 -4.149676527e+00 2.68 -4.093692718e+00 2.70 -4.022973611e+00 2.72 -3.937883846e+00 2.74 -3.839008684e+00 2.76 -3.726841034e+00 2.78 -3.601819422e+00 2.80 -3.464502822e+00 2.82 -3.315731631e+00 2.84 -3.156758470e+00 2.86 -2.989285475e+00 2.88 -2.815304914e+00 2.90 -2.636735486e+00 2.92 -2.455022196e+00 2.94 -2.270930014e+00 2.96 -2.084607515e+00 2.98 -1.895792099e+00 3.00 -1.703972073e+00 3.02 -1.508390385e+00 3.04 -1.307822659e+00 3.06 -1.099928771e+00 3.08 -8.793777118e-01 3.10 -6.297249945e-01 3.12 -4.611951147e-01 3.14 -4.840346506e-01 3.16 -5.032531613e-01 3.18 -5.190222781e-01 3.20 -5.315166172e-01 3.22 -5.409120614e-01 3.24 -5.473833637e-01 3.26 -5.511006199e-01 3.28 -5.522239409e-01 3.30 -5.508959266e-01 3.32 -5.472329959e-01 3.34 -5.413193894e-01 3.36 -5.332107105e-01 3.38 -5.229549670e-01 3.40 -5.106358278e-01 3.42 -4.964335926e-01 3.44 -4.806848572e-01 3.46 -4.639088547e-01 3.48 -4.467712088e-01 3.50 -4.299839699e-01 3.52 -4.141801721e-01 3.54 -3.998182041e-01 3.56 -3.871504606e-01 3.58 -3.762510311e-01 3.60 -3.670725521e-01 3.62 -3.595034000e-01 3.64 -3.534097882e-01 3.66 -3.486597338e-01 3.68 -3.451304993e-01 3.70 -3.426994054e-01 3.72 -3.412389532e-01 3.74 -3.406187981e-01 3.76 -3.407076920e-01 3.78 -3.413751289e-01 3.80 -3.424927748e-01 3.82 -3.439357305e-01 3.84 -4.608748767e-01 3.86 -5.444331912e-01 3.88 -6.130876021e-01 3.90 -6.704736261e-01 3.92 -7.182281601e-01 3.94 -7.574028467e-01 3.96 -7.889410334e-01 3.98 -8.139228248e-01 4.00 -8.337010551e-01 4.02 -8.499395179e-01 4.04 -8.645312608e-01 4.06 -8.793904425e-01 4.08 -8.961590761e-01 4.10 -9.159284005e-01 4.12 -9.390845848e-01 4.14 -9.653378923e-01 4.16 -9.939101580e-01 4.18 -1.023788959e+00 4.20 -1.053959191e+00 4.22 -1.083558606e+00 4.24 -1.111951001e+00 4.26 -1.138735972e+00 4.28 -1.163721315e+00 4.30 -1.186878234e+00 4.32 -1.208268401e+00 4.34 -1.227963573e+00 4.36 -1.246030869e+00 4.38 -1.262533323e+00 4.40 -1.277530253e+00 4.42 -1.291077638e+00 4.44 -1.303228391e+00 4.46 -1.314032552e+00 4.48 -1.323537506e+00 4.50 -1.331788127e+00 4.52 -1.338826870e+00 4.54 -1.344693999e+00 4.56 -1.349427577e+00 4.58 -1.353063662e+00 4.60 -1.355636372e+00 4.62 -1.357177979e+00 4.64 -1.357719003e+00 4.66 -1.357288313e+00 4.68 -1.355913248e+00 4.70 -1.353619631e+00 4.72 -1.350431975e+00 4.74 -1.346373481e+00 4.76 -1.341466180e+00 4.78 -1.335731017e+00 4.80 -1.329187949e+00 4.82 -1.321856030e+00 4.84 -1.313753478e+00 4.86 -1.304897813e+00 4.88 -1.295305879e+00 4.90 -1.284993950e+00 4.92 -1.273977786e+00 4.94 -1.262272701e+00 4.96 -1.249893615e+00 4.98 -1.236855071e+00 5.00 -1.223171287e+00 5.02 -1.208856137e+00 5.04 -1.193923198e+00 5.06 -1.178385677e+00 5.08 -1.162256396e+00 5.10 -1.145547697e+00 5.12 -1.128271416e+00 5.14 -1.110438678e+00 5.16 -1.092059829e+00 5.18 -1.073144169e+00 5.20 -1.053699852e+00 5.22 -1.033733515e+00 5.24 -1.013250047e+00 5.26 -9.922522561e-01 5.28 -9.707405153e-01 5.30 -9.487123709e-01 5.32 -9.261620972e-01 5.34 -9.030803172e-01 5.36 -8.794536382e-01 5.38 -8.552644813e-01 5.40 -8.304906039e-01 5.42 -8.051054338e-01 5.44 -7.790784222e-01 5.46 -7.523761039e-01 5.48 -7.249629193e-01 5.50 -6.968050828e-01 5.52 -6.678724032e-01 5.54 -6.381456642e-01 5.56 -6.076201269e-01 5.58 -5.763153522e-01 5.60 -5.442834479e-01 5.62 -5.116180500e-01 5.64 -4.784628014e-01 5.66 -4.450167090e-01 5.68 -4.115345002e-01 5.70 -3.783224384e-01 5.72 -3.457232064e-01 5.74 -3.140962784e-01 5.76 -2.837894423e-01 5.78 -2.551122248e-01 5.80 -2.283095507e-01 5.82 -2.035437542e-01 5.84 -1.808885509e-01 5.86 -1.603313369e-01 5.88 -1.417877561e-01 5.90 -1.251193985e-01 5.92 -1.101533359e-01 5.94 -9.670676830e-02 5.96 -8.459458579e-02 5.98 -7.365096656e-02 6.00 -6.373046298e-02