# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Ackland-G-J-Vitek-V--Cu-Ag-Au # implementation = 1990--Ackland-G-J--Cu-Ag-Au--LAMMPS--ipr1 # composition = Ag2Cu # 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 2023-05-12 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 2.818751236e+02 0.82 2.593490737e+02 0.84 2.390081660e+02 0.86 2.205067780e+02 0.88 2.035845272e+02 0.90 1.881477402e+02 0.92 1.740697019e+02 0.94 1.611789971e+02 0.96 1.493466966e+02 0.98 1.384847879e+02 1.00 1.285568422e+02 1.02 1.194939441e+02 1.04 1.111475860e+02 1.06 1.033869877e+02 1.08 9.614625578e+01 1.10 8.942862957e+01 1.12 8.321133446e+01 1.14 7.745246856e+01 1.16 7.211149771e+01 1.18 6.714510374e+01 1.20 6.252235524e+01 1.22 5.820665752e+01 1.24 5.417525918e+01 1.26 5.040273245e+01 1.28 4.686406711e+01 1.30 4.355447044e+01 1.32 4.046235756e+01 1.34 3.757068968e+01 1.36 3.487798080e+01 1.38 3.237990049e+01 1.40 3.005890643e+01 1.42 2.789763295e+01 1.44 2.588528353e+01 1.46 2.401214374e+01 1.48 2.226683043e+01 1.50 2.063916121e+01 1.52 1.912228088e+01 1.54 1.770948065e+01 1.56 1.639242608e+01 1.58 1.515825177e+01 1.60 1.399658860e+01 1.62 1.289838120e+01 1.64 1.185809073e+01 1.66 1.087750973e+01 1.68 9.959987334e+00 1.70 9.102984583e+00 1.72 8.298564790e+00 1.74 7.538658890e+00 1.76 6.815173435e+00 1.78 6.120484182e+00 1.80 5.454354564e+00 1.82 4.822727367e+00 1.84 4.231786269e+00 1.86 3.682461138e+00 1.88 3.171808948e+00 1.90 2.696611333e+00 1.92 2.252743215e+00 1.94 1.836078586e+00 1.96 1.443651107e+00 1.98 1.073923625e+00 2.00 7.259832060e-01 2.02 4.000177078e-01 2.04 9.644411568e-02 2.06 -1.844921396e-01 2.08 -4.437881448e-01 2.10 -6.829197427e-01 2.12 -9.033596334e-01 2.14 -1.106589190e+00 2.16 -1.294140921e+00 2.18 -1.467573422e+00 2.20 -1.627989917e+00 2.22 -1.776172489e+00 2.24 -1.912904329e+00 2.26 -2.038966050e+00 2.28 -2.155137402e+00 2.30 -2.262088838e+00 2.32 -2.359692329e+00 2.34 -2.447043970e+00 2.36 -2.523386378e+00 2.38 -2.588463671e+00 2.40 -2.643033864e+00 2.42 -2.688068823e+00 2.44 -2.724531912e+00 2.46 -2.753377343e+00 2.48 -2.775549477e+00 2.50 -2.791982024e+00 2.52 -2.803540857e+00 2.54 -2.810771015e+00 2.56 -2.814106424e+00 2.58 -2.813815088e+00 2.60 -2.809859125e+00 2.62 -2.802166604e+00 2.64 -2.790664427e+00 2.66 -2.775278226e+00 2.68 -2.756071237e+00 2.70 -2.733741519e+00 2.72 -2.709161523e+00 2.74 -2.682982903e+00 2.76 -2.655578892e+00 2.78 -2.627304930e+00 2.80 -2.598516155e+00 2.82 -2.569292347e+00 2.84 -2.538960665e+00 2.86 -2.506720894e+00 2.88 -2.471772804e+00 2.90 -2.433348559e+00 2.92 -2.391310256e+00 2.94 -2.346091150e+00 2.96 -2.298144914e+00 2.98 -2.247924858e+00 3.00 -2.195883820e+00 3.02 -2.142474043e+00 3.04 -2.088147036e+00 3.06 -2.033353404e+00 3.08 -1.978518802e+00 3.10 -1.923876620e+00 3.12 -1.869567884e+00 3.14 -1.815732605e+00 3.16 -1.762510142e+00 3.18 -1.710011671e+00 3.20 -1.658276932e+00 3.22 -1.607333228e+00 3.24 -1.557206277e+00 3.26 -1.507919871e+00 3.28 -1.459495477e+00 3.30 -1.411951790e+00 3.32 -1.365304228e+00 3.34 -1.319564374e+00 3.36 -1.274739356e+00 3.38 -1.230831148e+00 3.40 -1.187835827e+00 3.42 -1.145742730e+00 3.44 -1.104533562e+00 3.46 -1.064181426e+00 3.48 -1.024649668e+00 3.50 -9.858907345e-01 3.52 -9.478447836e-01 3.54 -9.104380201e-01 3.56 -8.736066473e-01 3.58 -8.373588133e-01 3.60 -8.017219007e-01 3.62 -7.667406561e-01 3.64 -7.324644304e-01 3.66 -6.989436219e-01 3.68 -6.662298408e-01 3.70 -6.343753806e-01 3.72 -6.034326229e-01 3.74 -5.734555490e-01 3.76 -5.444987120e-01 3.78 -5.166120526e-01 3.80 -4.898541457e-01 3.82 -4.642652411e-01 3.84 -4.399086315e-01 3.86 -4.168023816e-01 3.88 -3.950028678e-01 3.90 -3.745315148e-01 3.92 -3.550489860e-01 3.94 -3.370556662e-01 3.96 -3.210049260e-01 3.98 -3.071636408e-01 4.00 -2.952483284e-01 4.02 -2.836773106e-01 4.04 -2.714105868e-01 4.06 -2.581620910e-01 4.08 -2.437842485e-01 4.10 -2.282705424e-01 4.12 -2.112487456e-01 4.14 -1.928955330e-01 4.16 -1.734916495e-01 4.18 -1.533570707e-01 4.20 -1.328012767e-01 4.22 -1.125686868e-01 4.24 -9.338908081e-02 4.26 -7.572164643e-02 4.28 -5.982688406e-02 4.30 -4.582455697e-02 4.32 -3.374002909e-02 4.34 -2.354129389e-02 4.36 -1.516436767e-02 4.38 -8.537804741e-03 4.40 -3.628694477e-03 4.42 -5.507979264e-04 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 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