# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AlCo2 # 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 2024-04-11 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 1.285315400e+02 1.16 1.178598511e+02 1.18 1.080820369e+02 1.20 9.911316656e+01 1.22 9.087881290e+01 1.24 8.331290601e+01 1.26 7.635737880e+01 1.28 6.996114474e+01 1.30 6.407795178e+01 1.32 5.866473783e+01 1.34 5.368141874e+01 1.36 4.909143330e+01 1.38 4.486205401e+01 1.40 4.096414582e+01 1.42 3.737131901e+01 1.44 3.405874622e+01 1.46 3.100363828e+01 1.48 2.818541402e+01 1.50 2.558329950e+01 1.52 2.318010280e+01 1.54 2.096247832e+01 1.56 1.891662038e+01 1.58 1.703013362e+01 1.60 1.529169974e+01 1.62 1.369067124e+01 1.64 1.221675619e+01 1.66 1.085988386e+01 1.68 9.610324194e+00 1.70 8.458992313e+00 1.72 7.397698855e+00 1.74 6.419151728e+00 1.76 5.516777173e+00 1.78 4.684589024e+00 1.80 3.917212410e+00 1.82 3.209955365e+00 1.84 2.558782760e+00 1.86 1.960168056e+00 1.88 1.410890821e+00 1.90 9.078495336e-01 1.92 4.479312641e-01 1.94 2.796137602e-02 1.96 -3.552664311e-01 1.98 -7.049049894e-01 2.00 -1.023944683e+00 2.02 -1.315104587e+00 2.04 -1.580753683e+00 2.06 -1.822895776e+00 2.08 -2.043225936e+00 2.10 -2.243229389e+00 2.12 -2.424279335e+00 2.14 -2.587701800e+00 2.16 -2.734795848e+00 2.18 -2.866815665e+00 2.20 -2.984956163e+00 2.22 -3.090383628e+00 2.24 -3.183922909e+00 2.26 -3.266272559e+00 2.28 -3.338060073e+00 2.30 -3.399856086e+00 2.32 -3.452186216e+00 2.34 -3.495538303e+00 2.36 -3.530361853e+00 2.38 -3.556971738e+00 2.40 -3.575573579e+00 2.42 -3.586392277e+00 2.44 -3.589964339e+00 2.46 -3.587433564e+00 2.48 -3.578779702e+00 2.50 -3.563998680e+00 2.52 -3.543216897e+00 2.54 -3.516691393e+00 2.56 -3.484816356e+00 2.58 -3.448127138e+00 2.60 -3.407293809e+00 2.62 -3.363093817e+00 2.64 -3.316321729e+00 2.66 -3.267706931e+00 2.68 -3.217849555e+00 2.70 -3.167186047e+00 2.72 -3.115988421e+00 2.74 -3.064389180e+00 2.76 -3.012418505e+00 2.78 -2.960041701e+00 2.80 -2.907189736e+00 2.82 -2.853780493e+00 2.84 -2.799731916e+00 2.86 -2.744969614e+00 2.88 -2.689431919e+00 2.90 -2.633075015e+00 2.92 -2.575880020e+00 2.94 -2.517862879e+00 2.96 -2.459086632e+00 2.98 -2.399674022e+00 3.00 -2.339816809e+00 3.02 -2.279777320e+00 3.04 -2.219878411e+00 3.06 -2.160480685e+00 3.08 -2.101949897e+00 3.10 -2.044621230e+00 3.12 -1.988768553e+00 3.14 -1.934585204e+00 3.16 -1.882178737e+00 3.18 -1.831578296e+00 3.20 -1.782750266e+00 3.22 -1.735617360e+00 3.24 -1.690077099e+00 3.26 -1.646017177e+00 3.28 -1.603326679e+00 3.30 -1.561903245e+00 3.32 -1.521656815e+00 3.34 -1.482510860e+00 3.36 -1.444401939e+00 3.38 -1.407278298e+00 3.40 -1.371098031e+00 3.42 -1.335827153e+00 3.44 -1.301437757e+00 3.46 -1.267906406e+00 3.48 -1.235212762e+00 3.50 -1.203338436e+00 3.52 -1.172266072e+00 3.54 -1.141978608e+00 3.56 -1.112458700e+00 3.58 -1.083688310e+00 3.60 -1.055648424e+00 3.62 -1.028318923e+00 3.64 -1.001678583e+00 3.66 -9.757052233e-01 3.68 -9.503759571e-01 3.70 -9.256675486e-01 3.72 -9.015568152e-01 3.74 -8.780210410e-01 3.76 -8.550383497e-01 3.78 -8.325879975e-01 3.80 -8.106505590e-01 3.82 -7.892079971e-01 3.84 -7.682436267e-01 3.86 -7.477419930e-01 3.88 -7.276886957e-01 3.90 -7.080701863e-01 3.92 -6.888735662e-01 3.94 -6.700864010e-01 3.96 -6.516965642e-01 3.98 -6.336921180e-01 4.00 -6.160612370e-01 4.02 -5.987921853e-01 4.04 -5.818733586e-01 4.06 -5.652934067e-01 4.08 -5.490414522e-01 4.10 -5.331074070e-01 4.12 -5.174824595e-01 4.14 -5.021595367e-01 4.16 -4.871339572e-01 4.18 -4.724040135e-01 4.20 -4.579714730e-01 4.22 -4.438418657e-01 4.24 -4.300244387e-01 4.26 -4.165316794e-01 4.28 -4.033783621e-01 4.30 -3.905801587e-01 4.32 -3.781519449e-01 4.34 -3.661060152e-01 4.36 -3.544504571e-01 4.38 -3.431879107e-01 4.40 -3.323148719e-01 4.42 -3.218215828e-01 4.44 -3.116924546e-01 4.46 -3.019068828e-01 4.48 -2.924402871e-01 4.50 -2.832652078e-01 4.52 -2.743523337e-01 4.54 -2.656713796e-01 4.56 -2.571917827e-01 4.58 -2.488832234e-01 4.60 -2.407160024e-01 4.62 -2.326613186e-01 4.64 -2.246914956e-01 4.66 -2.167802054e-01 4.68 -2.089027291e-01 4.70 -2.010362880e-01 4.72 -1.931604688e-01 4.74 -1.852577558e-01 4.76 -1.773141668e-01 4.78 -1.693199778e-01 4.80 -1.612704923e-01 4.82 -1.531668460e-01 4.84 -1.450166538e-01 4.86 -1.368345691e-01 4.88 -1.286425347e-01 4.90 -1.204696786e-01 4.92 -1.123517679e-01 4.94 -1.043301885e-01 4.96 -9.645046200e-02 4.98 -8.876036710e-02 5.00 -8.130781017e-02 5.02 -7.413861431e-02 5.04 -6.729441360e-02 5.06 -6.081084017e-02 5.08 -5.471596646e-02 5.10 -4.902970746e-02 5.12 -4.376381453e-02 5.14 -3.892166178e-02 5.16 -3.449892376e-02 5.18 -3.048457233e-02 5.20 -2.686206456e-02 5.22 -2.361060612e-02 5.24 -2.070638972e-02 5.26 -1.812370985e-02 5.28 -1.583565904e-02 5.30 -1.381579474e-02 5.32 -1.203835481e-02 5.34 -1.047857964e-02 5.36 -9.113094927e-03 5.38 -7.920155510e-03 5.40 -6.879776698e-03 5.42 -5.973777845e-03 5.44 -5.185760569e-03 5.46 -4.501040584e-03 5.48 -3.906548682e-03 5.50 -3.390713147e-03 5.52 -2.943332952e-03 5.54 -2.555448625e-03 5.56 -2.219215668e-03 5.58 -1.927783794e-03 5.60 -1.675184030e-03 5.62 -1.456224800e-03 5.64 -1.266397464e-03 5.66 -1.101791264e-03 5.68 -9.590173837e-04 5.70 -8.351415620e-04 5.72 -7.276246303e-04 5.74 -6.342702737e-04 5.76 -5.531793063e-04 5.78 -4.827097701e-04 5.80 -4.214422065e-04 5.82 -3.681494904e-04 5.84 -3.217706742e-04 5.86 -2.813883393e-04 5.88 -2.462090076e-04 5.90 -2.155462144e-04 5.92 -1.888058916e-04 5.94 -1.654737522e-04 5.96 -1.451044063e-04 5.98 -1.273119740e-04 6.00 -1.117619890e-04