# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ni2Pt # 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 9.212623375e+02 0.86 8.345099254e+02 0.88 7.560062607e+02 0.90 6.848993200e+02 0.92 6.204463303e+02 0.94 5.619987689e+02 0.96 5.089889691e+02 0.98 4.609061630e+02 1.00 4.172918174e+02 1.02 3.777359829e+02 1.04 3.418738897e+02 1.06 3.093742291e+02 1.08 2.799301530e+02 1.10 2.532689158e+02 1.12 2.291313562e+02 1.14 2.072858794e+02 1.16 1.875267815e+02 1.18 1.696609493e+02 1.20 1.535132932e+02 1.22 1.389196772e+02 1.24 1.257377000e+02 1.26 1.138313346e+02 1.28 1.030774033e+02 1.30 9.336544662e+01 1.32 8.459409164e+01 1.34 7.667033346e+01 1.36 6.951346790e+01 1.38 6.304741058e+01 1.40 5.720000765e+01 1.42 5.191120949e+01 1.44 4.712679497e+01 1.46 4.279577067e+01 1.48 3.887143038e+01 1.50 3.531288496e+01 1.52 3.208404205e+01 1.54 2.915163177e+01 1.56 2.648497311e+01 1.58 2.405723287e+01 1.60 2.184565104e+01 1.62 1.982904955e+01 1.64 1.798766249e+01 1.66 1.630425746e+01 1.68 1.476345598e+01 1.70 1.335404229e+01 1.72 1.206349203e+01 1.74 1.088455619e+01 1.76 9.737956293e+00 1.78 8.692371089e+00 1.80 7.695315023e+00 1.82 6.746595215e+00 1.84 5.845635890e+00 1.86 4.991702191e+00 1.88 4.182113802e+00 1.90 3.418563882e+00 1.92 2.700202319e+00 1.94 2.025930618e+00 1.96 1.394641534e+00 1.98 8.051713713e-01 2.00 2.580557744e-01 2.02 -2.497595386e-01 2.04 -7.200071927e-01 2.06 -1.154042470e+00 2.08 -1.553302924e+00 2.10 -1.919574917e+00 2.12 -2.254216342e+00 2.14 -2.558453507e+00 2.16 -2.833301543e+00 2.18 -3.080535336e+00 2.20 -3.301411428e+00 2.22 -3.497065962e+00 2.24 -3.669583011e+00 2.26 -3.820347552e+00 2.28 -3.950712046e+00 2.30 -4.062028184e+00 2.32 -4.155644514e+00 2.34 -4.232690145e+00 2.36 -4.294353864e+00 2.38 -4.341778313e+00 2.40 -4.376075625e+00 2.42 -4.398448762e+00 2.44 -4.409634873e+00 2.46 -4.410634265e+00 2.48 -4.402350111e+00 2.50 -4.385630590e+00 2.52 -4.362131107e+00 2.54 -4.332203643e+00 2.56 -4.294834391e+00 2.58 -4.251741180e+00 2.60 -4.203801882e+00 2.62 -4.151570615e+00 2.64 -4.095561673e+00 2.66 -4.036251120e+00 2.68 -3.974078505e+00 2.70 -3.909448671e+00 2.72 -3.842733610e+00 2.74 -3.774272833e+00 2.76 -3.704269051e+00 2.78 -3.632528225e+00 2.80 -3.560065305e+00 2.82 -3.486975009e+00 2.84 -3.413475690e+00 2.86 -3.339759556e+00 2.88 -3.265999596e+00 2.90 -3.192351160e+00 2.92 -3.118953307e+00 2.94 -3.045981719e+00 2.96 -2.974455281e+00 2.98 -2.903481517e+00 3.00 -2.833132344e+00 3.02 -2.763488305e+00 3.04 -2.694620272e+00 3.06 -2.626590175e+00 3.08 -2.559451868e+00 3.10 -2.493252281e+00 3.12 -2.428031525e+00 3.14 -2.363823316e+00 3.16 -2.300646405e+00 3.18 -2.238555456e+00 3.20 -2.177621193e+00 3.22 -2.117626068e+00 3.24 -2.058388023e+00 3.26 -2.000603744e+00 3.28 -1.944139669e+00 3.30 -1.888799719e+00 3.32 -1.834559767e+00 3.34 -1.781432175e+00 3.36 -1.729366015e+00 3.38 -1.678272498e+00 3.40 -1.628131991e+00 3.42 -1.579031133e+00 3.44 -1.531044433e+00 3.46 -1.484160860e+00 3.48 -1.438353498e+00 3.50 -1.393609186e+00 3.52 -1.349910794e+00 3.54 -1.307232140e+00 3.56 -1.265568044e+00 3.58 -1.224917848e+00 3.60 -1.185264729e+00 3.62 -1.146555554e+00 3.64 -1.108785601e+00 3.66 -1.071961624e+00 3.68 -1.036090573e+00 3.70 -1.001129681e+00 3.72 -9.669306990e-01 3.74 -9.334256599e-01 3.76 -9.007530767e-01 3.78 -8.690203288e-01 3.80 -8.383065954e-01 3.82 -8.086675358e-01 3.84 -7.801900226e-01 3.86 -7.528968493e-01 3.88 -7.268555475e-01 3.90 -7.017542273e-01 3.92 -6.772704807e-01 3.94 -6.531680433e-01 3.96 -6.292800790e-01 3.98 -6.054952040e-01 4.00 -5.817458463e-01 4.02 -5.579985845e-01 4.04 -5.342461750e-01 4.06 -5.104873747e-01 4.08 -4.867240486e-01 4.10 -4.630298160e-01 4.12 -4.393890970e-01 4.14 -4.159690208e-01 4.16 -3.932192957e-01 4.18 -3.726682679e-01 4.20 -3.527037696e-01 4.22 -3.333864243e-01 4.24 -3.147535663e-01 4.26 -2.968307313e-01 4.28 -2.796323111e-01 4.30 -2.631635976e-01 4.32 -2.474225116e-01 4.34 -2.324010621e-01 4.36 -2.180865778e-01 4.38 -2.044627352e-01 4.40 -1.915104224e-01 4.42 -1.792084587e-01 4.44 -1.675341899e-01 4.46 -1.564639838e-01 4.48 -1.459736313e-01 4.50 -1.360386771e-01 4.52 -1.266346862e-01 4.54 -1.177374566e-01 4.56 -1.093231900e-01 4.58 -1.013686220e-01 4.60 -9.385112185e-02 4.62 -8.674876763e-02 4.64 -8.004039818e-02 4.66 -7.370565025e-02 4.68 -6.772497802e-02 4.70 -6.207966243e-02 4.72 -5.675181108e-02 4.74 -5.172435016e-02 4.76 -4.698101144e-02 4.78 -4.251282347e-02 4.80 -3.833924684e-02 4.82 -3.544138622e-02 4.84 -3.275212678e-02 4.86 -3.021852974e-02 4.88 -2.782908963e-02 4.90 -2.557590099e-02 4.92 -2.345146383e-02 4.94 -2.144866683e-02 4.96 -1.956077054e-02 4.98 -1.778139069e-02 5.00 -1.610448177e-02 5.02 -1.452432104e-02 5.04 -1.303549290e-02 5.06 -1.163287374e-02 5.08 -1.031161734e-02 5.10 -9.067140812e-03 5.12 -7.895111124e-03 5.14 -6.791432150e-03 5.16 -5.752232333e-03 5.18 -4.773852901e-03 5.20 -3.852836615e-03 5.22 -2.985917053e-03 5.24 -2.170008425e-03 5.26 -1.402195903e-03 5.28 -6.801649369e-04 5.30 -1.060378436e-15 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00