# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgNi2 # 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 3.906519541e+02 0.90 3.574316599e+02 0.92 3.273639572e+02 0.94 3.000904503e+02 0.96 2.753066124e+02 0.98 2.527405418e+02 1.00 2.321607533e+02 1.02 2.133652737e+02 1.04 1.961771739e+02 1.06 1.804433685e+02 1.08 1.660250191e+02 1.10 1.527946091e+02 1.12 1.406429628e+02 1.14 1.294731315e+02 1.16 1.192012384e+02 1.18 1.097453643e+02 1.20 1.010398179e+02 1.22 9.302018911e+01 1.24 8.563029260e+01 1.26 7.881615285e+01 1.28 7.252877619e+01 1.30 6.672876054e+01 1.32 6.137690262e+01 1.34 5.643638332e+01 1.36 5.187722693e+01 1.38 4.766997882e+01 1.40 4.378443255e+01 1.42 4.019626088e+01 1.44 3.688550645e+01 1.46 3.383181371e+01 1.48 3.101472270e+01 1.50 2.841681590e+01 1.52 2.602258478e+01 1.54 2.381662898e+01 1.56 2.178520698e+01 1.58 1.991538818e+01 1.60 1.819521885e+01 1.62 1.661210722e+01 1.64 1.515724687e+01 1.66 1.382147574e+01 1.68 1.259610826e+01 1.70 1.145090842e+01 1.72 1.036776699e+01 1.74 9.391399714e+00 1.76 8.462690391e+00 1.78 7.581339811e+00 1.80 6.746777022e+00 1.82 5.958194947e+00 1.84 5.214585455e+00 1.86 4.514559788e+00 1.88 3.854960965e+00 1.90 3.236857794e+00 1.92 2.658067923e+00 1.94 2.117338568e+00 1.96 1.613407078e+00 1.98 1.144469307e+00 2.00 7.107003731e-01 2.02 3.086796147e-01 2.04 -6.329465656e-02 2.06 -4.067497361e-01 2.08 -7.232074364e-01 2.10 -1.014458599e+00 2.12 -1.281487014e+00 2.14 -1.525665120e+00 2.16 -1.748310377e+00 2.18 -1.950687721e+00 2.20 -2.133996171e+00 2.22 -2.299257548e+00 2.24 -2.447185168e+00 2.26 -2.579455036e+00 2.28 -2.697056089e+00 2.30 -2.800932132e+00 2.32 -2.891979785e+00 2.34 -2.971049868e+00 2.36 -3.038948809e+00 2.38 -3.096440200e+00 2.40 -3.144249809e+00 2.42 -3.183554440e+00 2.44 -3.214466047e+00 2.46 -3.237589558e+00 2.48 -3.253502299e+00 2.50 -3.262692103e+00 2.52 -3.266225546e+00 2.54 -3.264297957e+00 2.56 -3.257109026e+00 2.58 -3.245007037e+00 2.60 -3.227104031e+00 2.62 -3.205259195e+00 2.64 -3.179801012e+00 2.66 -3.151053916e+00 2.68 -3.119322052e+00 2.70 -3.084890351e+00 2.72 -3.048025544e+00 2.74 -3.008977136e+00 2.76 -2.967978352e+00 2.78 -2.925247032e+00 2.80 -2.880986508e+00 2.82 -2.835386350e+00 2.84 -2.788623260e+00 2.86 -2.740861710e+00 2.88 -2.692253367e+00 2.90 -2.642961159e+00 2.92 -2.593114491e+00 2.94 -2.542828393e+00 2.96 -2.493178778e+00 2.98 -2.443252447e+00 3.00 -2.393151218e+00 3.02 -2.342968117e+00 3.04 -2.292788888e+00 3.06 -2.242692421e+00 3.08 -2.192751201e+00 3.10 -2.143031843e+00 3.12 -2.093595454e+00 3.14 -2.044495698e+00 3.16 -1.995774865e+00 3.18 -1.947570457e+00 3.20 -1.899774347e+00 3.22 -1.852072461e+00 3.24 -1.804684109e+00 3.26 -1.757937909e+00 3.28 -1.711846535e+00 3.30 -1.666394086e+00 3.32 -1.621602890e+00 3.34 -1.577496672e+00 3.36 -1.534087826e+00 3.38 -1.491388265e+00 3.40 -1.449421891e+00 3.42 -1.408284448e+00 3.44 -1.367877472e+00 3.46 -1.328211611e+00 3.48 -1.289288309e+00 3.50 -1.251106242e+00 3.52 -1.213674818e+00 3.54 -1.176999712e+00 3.56 -1.141060316e+00 3.58 -1.105839449e+00 3.60 -1.071343885e+00 3.62 -1.037583505e+00 3.64 -1.004587527e+00 3.66 -9.722234855e-01 3.68 -9.404189029e-01 3.70 -9.092343126e-01 3.72 -8.787074252e-01 3.74 -8.490307666e-01 3.76 -8.203478197e-01 3.78 -7.927598335e-01 3.80 -7.665134971e-01 3.82 -7.415198528e-01 3.84 -7.175425762e-01 3.86 -6.943119205e-01 3.88 -6.714137127e-01 3.90 -6.485571856e-01 3.92 -6.255512495e-01 3.94 -6.022824725e-01 3.96 -5.786970702e-01 3.98 -5.547862441e-01 4.00 -5.305743113e-01 4.02 -5.060510320e-01 4.04 -4.812474254e-01 4.06 -4.563646917e-01 4.08 -4.315557464e-01 4.10 -4.070575622e-01 4.12 -3.830639172e-01 4.14 -3.597297719e-01 4.16 -3.374373500e-01 4.18 -3.178771475e-01 4.20 -2.990545581e-01 4.22 -2.810347488e-01 4.24 -2.638271154e-01 4.26 -2.474314443e-01 4.28 -2.318392365e-01 4.30 -2.170355599e-01 4.32 -2.030005798e-01 4.34 -1.897108233e-01 4.36 -1.771402033e-01 4.38 -1.652608563e-01 4.40 -1.540438183e-01 4.42 -1.434595719e-01 4.44 -1.334784731e-01 4.46 -1.240710922e-01 4.48 -1.152084817e-01 4.50 -1.068623758e-01 4.52 -9.900533923e-02 4.54 -9.161087572e-02 4.56 -8.465350685e-02 4.58 -7.810881549e-02 4.60 -7.195347087e-02 4.62 -6.616523744e-02 4.64 -6.072296996e-02 4.66 -5.560659543e-02 4.68 -5.079708805e-02 4.70 -4.627644109e-02 4.72 -4.202762959e-02 4.74 -3.803457284e-02 4.76 -3.428209510e-02 4.78 -3.076097902e-02 4.80 -2.746225672e-02 4.82 -2.559233813e-02 4.84 -2.385404661e-02 4.86 -2.222068207e-02 4.88 -2.068612626e-02 4.90 -1.924451999e-02 4.92 -1.789034372e-02 4.94 -1.661839886e-02 4.96 -1.542378971e-02 4.98 -1.430190639e-02 5.00 -1.324840860e-02 5.02 -1.225921039e-02 5.04 -1.133046557e-02 5.06 -1.045855387e-02 5.08 -9.640067909e-03 5.10 -8.871800875e-03 5.12 -8.150735016e-03 5.14 -7.474030620e-03 5.16 -6.839015607e-03 5.18 -6.243175791e-03 5.20 -5.684145706e-03 5.22 -5.159699996e-03 5.24 -4.667745166e-03 5.26 -4.206311877e-03 5.28 -3.773547701e-03 5.30 -3.367710330e-03 5.32 -2.987161140e-03 5.34 -2.630359082e-03 5.36 -2.295854971e-03 5.38 -1.982286117e-03 5.40 -1.688371297e-03 5.42 -1.412905948e-03 5.44 -1.154757655e-03 5.46 -9.128619149e-04 5.48 -6.862181674e-04 5.50 -4.738860518e-04 5.52 -2.749818327e-04 5.54 -8.748320537e-05 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