# 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 = AuCo2 # 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 2.455787715e+02 1.16 2.255565764e+02 1.18 2.071952578e+02 1.20 1.903431639e+02 1.22 1.748647551e+02 1.24 1.606384590e+02 1.26 1.475545722e+02 1.28 1.355138011e+02 1.30 1.244262196e+02 1.32 1.142104381e+02 1.34 1.047928890e+02 1.36 9.610694538e+01 1.38 8.809205154e+01 1.40 8.069309813e+01 1.42 7.385983147e+01 1.44 6.754632350e+01 1.46 6.171071702e+01 1.48 5.631498178e+01 1.50 5.132436558e+01 1.52 4.670684363e+01 1.54 4.244354152e+01 1.56 3.852084103e+01 1.58 3.491206096e+01 1.60 3.159206289e+01 1.62 2.853792361e+01 1.64 2.572871886e+01 1.66 2.314529832e+01 1.68 2.077002978e+01 1.70 1.858657769e+01 1.72 1.657978955e+01 1.74 1.473566293e+01 1.76 1.304131952e+01 1.78 1.148497131e+01 1.80 1.005588778e+01 1.82 8.744335538e+00 1.84 7.541465469e+00 1.86 6.439167308e+00 1.88 5.429926317e+00 1.90 4.506704293e+00 1.92 3.662864225e+00 1.94 2.892155441e+00 1.96 2.188747582e+00 1.98 1.547266393e+00 2.00 9.627914744e-01 2.02 4.308214774e-01 2.04 -5.276442960e-02 2.06 -4.917376810e-01 2.08 -8.895525769e-01 2.10 -1.249385814e+00 2.12 -1.574177901e+00 2.14 -1.866665980e+00 2.16 -2.129400567e+00 2.18 -2.364746334e+00 2.20 -2.574875269e+00 2.22 -2.761763914e+00 2.24 -2.927202047e+00 2.26 -3.072812169e+00 2.28 -3.200074108e+00 2.30 -3.310453296e+00 2.32 -3.405201113e+00 2.34 -3.485340333e+00 2.36 -3.551860910e+00 2.38 -3.605718093e+00 2.40 -3.647831414e+00 2.42 -3.679150412e+00 2.44 -3.700550953e+00 2.46 -3.712539350e+00 2.48 -3.715566452e+00 2.50 -3.710146288e+00 2.52 -3.696843385e+00 2.54 -3.676263517e+00 2.56 -3.649049553e+00 2.58 -3.615870110e+00 2.60 -3.577415942e+00 2.62 -3.534387644e+00 2.64 -3.487462463e+00 2.66 -3.437258176e+00 2.68 -3.384306028e+00 2.70 -3.329040123e+00 2.72 -3.271803131e+00 2.74 -3.212862609e+00 2.76 -3.152430740e+00 2.78 -3.090682149e+00 2.80 -3.027767236e+00 2.82 -2.963820838e+00 2.84 -2.898967373e+00 2.86 -2.833324029e+00 2.88 -2.767003545e+00 2.90 -2.700117819e+00 2.92 -2.632783126e+00 2.94 -2.565127138e+00 2.96 -2.497297137e+00 2.98 -2.429467783e+00 3.00 -2.361845936e+00 3.02 -2.294669606e+00 3.04 -2.228198943e+00 3.06 -2.162699308e+00 3.08 -2.098419394e+00 3.10 -2.035569591e+00 3.12 -1.974306095e+00 3.14 -1.914724236e+00 3.16 -1.856861353e+00 3.18 -1.800706854e+00 3.20 -1.746215846e+00 3.22 -1.693322954e+00 3.24 -1.641954097e+00 3.26 -1.592035173e+00 3.28 -1.543497608e+00 3.30 -1.496281216e+00 3.32 -1.450335072e+00 3.34 -1.405617069e+00 3.36 -1.362092721e+00 3.38 -1.319733650e+00 3.40 -1.278516025e+00 3.42 -1.238419140e+00 3.44 -1.199424197e+00 3.46 -1.161513322e+00 3.48 -1.124668813e+00 3.50 -1.088872561e+00 3.52 -1.054105656e+00 3.54 -1.020348100e+00 3.56 -9.875786482e-01 3.58 -9.557747359e-01 3.60 -9.249124981e-01 3.62 -8.949668748e-01 3.64 -8.659117992e-01 3.66 -8.377204601e-01 3.68 -8.103656277e-01 3.70 -7.838200170e-01 3.72 -7.580566599e-01 3.74 -7.330492529e-01 3.76 -7.087724446e-01 3.78 -6.852020390e-01 3.80 -6.623150962e-01 3.82 -6.400899319e-01 3.84 -6.185060243e-01 3.86 -5.975438495e-01 3.88 -5.771846715e-01 3.90 -5.574103117e-01 3.92 -5.382029215e-01 3.94 -5.195447783e-01 3.96 -5.014181183e-01 3.98 -4.838050206e-01 4.00 -4.666873528e-01 4.02 -4.500467915e-01 4.04 -4.338649282e-01 4.06 -4.181234744e-01 4.08 -4.028045768e-01 4.10 -3.878912468e-01 4.12 -3.733679094e-01 4.14 -3.592210314e-01 4.16 -3.454398161e-01 4.18 -3.320168723e-01 4.20 -3.189487731e-01 4.22 -3.062363817e-01 4.24 -2.938848258e-01 4.26 -2.819030207e-01 4.28 -2.703027002e-01 4.30 -2.590969983e-01 4.32 -2.482987207e-01 4.34 -2.379185256e-01 4.36 -2.279632691e-01 4.38 -2.184347510e-01 4.40 -2.093290162e-01 4.42 -2.006362623e-01 4.44 -1.923412883e-01 4.46 -1.844243476e-01 4.48 -1.768622257e-01 4.50 -1.696293756e-01 4.52 -1.626989758e-01 4.54 -1.560438294e-01 4.56 -1.496370679e-01 4.58 -1.434526622e-01 4.60 -1.374657688e-01 4.62 -1.316529509e-01 4.64 -1.259923185e-01 4.66 -1.204636277e-01 4.68 -1.150483752e-01 4.70 -1.097299152e-01 4.72 -1.044936171e-01 4.74 -9.932707555e-02 4.76 -9.422037266e-02 4.78 -8.916638269e-02 4.80 -8.416109821e-02 4.82 -7.920394921e-02 4.84 -7.429806064e-02 4.86 -6.945041275e-02 4.88 -6.467183794e-02 4.90 -5.997680963e-02 4.92 -5.538298782e-02 4.94 -5.091051085e-02 4.96 -4.658105643e-02 4.98 -4.241672605e-02 5.00 -3.843884413e-02 5.02 -3.466677899e-02 5.04 -3.111689440e-02 5.06 -2.780172805e-02 5.08 -2.472930446e-02 5.10 -2.190293577e-02 5.12 -1.932186273e-02 5.14 -1.698143270e-02 5.16 -1.487331376e-02 5.18 -1.298620148e-02 5.20 -1.130657052e-02 5.22 -9.819407674e-03 5.24 -8.508880437e-03 5.26 -7.358912192e-03 5.28 -6.353650496e-03 5.30 -5.477826929e-03 5.32 -4.717015526e-03 5.34 -4.057802067e-03 5.36 -3.487878937e-03 5.38 -2.996080741e-03 5.40 -2.572374965e-03 5.42 -2.207820286e-03 5.44 -1.894503107e-03 5.46 -1.625460828e-03 5.48 -1.394598442e-03 5.50 -1.196603312e-03 5.52 -1.026861617e-03 5.54 -8.813787962e-04 5.56 -7.567054218e-04 5.58 -6.498693005e-04 5.60 -5.583140937e-04 5.62 -4.798444262e-04 5.64 -4.125772181e-04 5.66 -3.548988454e-04 5.68 -3.054276486e-04 5.70 -2.629812846e-04 5.72 -2.265484094e-04 5.74 -1.952642004e-04 5.76 -1.683892563e-04 5.78 -1.452914513e-04 5.80 -1.254303589e-04 5.82 -1.083439030e-04 5.84 -9.363693224e-05 5.86 -8.097144923e-05 5.88 -7.005826360e-05 5.90 -6.064986398e-05 5.92 -5.253433448e-05 5.94 -4.553016404e-05 5.96 -3.948181838e-05 5.98 -3.425596283e-05 6.00 -2.973824050e-05