# 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 = 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 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 2.213015073e+02 1.16 2.038699528e+02 1.18 1.878217771e+02 1.20 1.730267349e+02 1.22 1.593629739e+02 1.24 1.467223230e+02 1.26 1.350081455e+02 1.28 1.241341300e+02 1.30 1.140271573e+02 1.32 1.046311094e+02 1.34 9.590520531e+01 1.36 8.781421933e+01 1.38 8.031780865e+01 1.40 7.336748709e+01 1.42 6.691088704e+01 1.44 6.089809090e+01 1.46 5.528687935e+01 1.48 5.004554980e+01 1.50 4.515206243e+01 1.52 4.058957441e+01 1.54 3.635302016e+01 1.56 3.249778846e+01 1.58 2.899987784e+01 1.60 2.582056757e+01 1.62 2.292475848e+01 1.64 2.028209741e+01 1.66 1.786745559e+01 1.68 1.566072760e+01 1.70 1.364591324e+01 1.72 1.180967064e+01 1.74 1.013979949e+01 1.76 8.624220685e+00 1.78 7.250749041e+00 1.80 6.007427997e+00 1.82 4.882942187e+00 1.84 3.866831484e+00 1.86 2.949503947e+00 1.88 2.122121225e+00 1.90 1.376424912e+00 1.92 7.045954182e-01 1.94 9.923888416e-02 1.96 -4.464734271e-01 1.98 -9.385998778e-01 2.00 -1.382298450e+00 2.02 -1.781856903e+00 2.04 -2.140858685e+00 2.06 -2.462396295e+00 2.08 -2.749254659e+00 2.10 -3.004030656e+00 2.12 -3.229188947e+00 2.14 -3.427070481e+00 2.16 -3.599876810e+00 2.18 -3.749653745e+00 2.20 -3.878293810e+00 2.22 -3.989043849e+00 2.24 -4.084201085e+00 2.26 -4.164610706e+00 2.28 -4.231125679e+00 2.30 -4.284593403e+00 2.32 -4.325857841e+00 2.34 -4.355768479e+00 2.36 -4.375176952e+00 2.38 -4.384927214e+00 2.40 -4.385825790e+00 2.42 -4.378617667e+00 2.44 -4.363985026e+00 2.46 -4.342571993e+00 2.48 -4.315012037e+00 2.50 -4.281727025e+00 2.52 -4.243012845e+00 2.54 -4.199288498e+00 2.56 -4.151065539e+00 2.58 -4.098886773e+00 2.60 -4.043261834e+00 2.62 -3.984619114e+00 2.64 -3.923286750e+00 2.66 -3.859503577e+00 2.68 -3.793450754e+00 2.70 -3.725289965e+00 2.72 -3.655194811e+00 2.74 -3.583366389e+00 2.76 -3.510030143e+00 2.78 -3.435417738e+00 2.80 -3.359742986e+00 2.82 -3.283182659e+00 2.84 -3.205870733e+00 2.86 -3.127908961e+00 2.88 -3.049390896e+00 2.90 -2.970432346e+00 2.92 -2.891199687e+00 2.94 -2.811928011e+00 2.96 -2.732968880e+00 2.98 -2.654888666e+00 3.00 -2.578264190e+00 3.02 -2.503589907e+00 3.04 -2.431241483e+00 3.06 -2.361457061e+00 3.08 -2.294339485e+00 3.10 -2.229876160e+00 3.12 -2.167969158e+00 3.14 -2.108467606e+00 3.16 -2.051196226e+00 3.18 -1.995976950e+00 3.20 -1.942642937e+00 3.22 -1.891045995e+00 3.24 -1.841059107e+00 3.26 -1.792575751e+00 3.28 -1.745507433e+00 3.30 -1.699780436e+00 3.32 -1.655332431e+00 3.34 -1.612109301e+00 3.36 -1.570062354e+00 3.38 -1.529146003e+00 3.40 -1.489315893e+00 3.42 -1.450527498e+00 3.44 -1.412735132e+00 3.46 -1.375891389e+00 3.48 -1.339946975e+00 3.50 -1.304850893e+00 3.52 -1.270550950e+00 3.54 -1.236994491e+00 3.56 -1.204129280e+00 3.58 -1.171904430e+00 3.60 -1.140271307e+00 3.62 -1.109184341e+00 3.64 -1.078601766e+00 3.66 -1.048486313e+00 3.68 -1.018805951e+00 3.70 -9.895347696e-01 3.72 -9.606540656e-01 3.74 -9.321536440e-01 3.76 -9.040332463e-01 3.78 -8.763039017e-01 3.80 -8.489888998e-01 3.82 -8.221240171e-01 3.84 -7.957566515e-01 3.86 -7.699436326e-01 3.88 -7.447476965e-01 3.90 -7.202328949e-01 3.92 -6.964594704e-01 3.94 -6.734789039e-01 3.96 -6.513298414e-01 3.98 -6.300354446e-01 4.00 -6.096024204e-01 4.02 -5.900216635e-01 4.04 -5.712701892e-01 4.06 -5.533138844e-01 4.08 -5.361105876e-01 4.10 -5.196130829e-01 4.12 -5.037717489e-01 4.14 -4.885366478e-01 4.16 -4.738591095e-01 4.18 -4.596927832e-01 4.20 -4.459942679e-01 4.22 -4.327234183e-01 4.24 -4.198434194e-01 4.26 -4.073207109e-01 4.28 -3.951248207e-01 4.30 -3.832281496e-01 4.32 -3.716057286e-01 4.34 -3.602349560e-01 4.36 -3.490953116e-01 4.38 -3.381680394e-01 4.40 -3.274357884e-01 4.42 -3.168822106e-01 4.44 -3.064915224e-01 4.46 -2.962480549e-01 4.48 -2.861358292e-01 4.50 -2.761382099e-01 4.52 -2.662376912e-01 4.54 -2.564158688e-01 4.56 -2.466536401e-01 4.58 -2.369316528e-01 4.60 -2.272310042e-01 4.62 -2.175341678e-01 4.64 -2.078261012e-01 4.66 -1.980954915e-01 4.68 -1.883360461e-01 4.70 -1.785477156e-01 4.72 -1.687378199e-01 4.74 -1.589228316e-01 4.76 -1.491263868e-01 4.78 -1.393803978e-01 4.80 -1.297251677e-01 4.82 -1.202080046e-01 4.84 -1.108813303e-01 4.86 -1.018003667e-01 4.88 -9.302053325e-02 4.90 -8.459475766e-02 4.92 -7.657092522e-02 4.94 -6.898968496e-02 4.96 -6.188279063e-02 4.98 -5.527208798e-02 5.00 -4.916918110e-02 5.02 -4.357573492e-02 5.04 -3.848431010e-02 5.06 -3.387958902e-02 5.08 -2.973983688e-02 5.10 -2.603844913e-02 5.12 -2.274546934e-02 5.14 -1.982897742e-02 5.16 -1.725620850e-02 5.18 -1.499420822e-02 5.20 -1.301184286e-02 5.22 -1.127950154e-02 5.24 -9.769351607e-03 5.26 -8.455629389e-03 5.28 -7.314783458e-03 5.30 -6.325506640e-03 5.32 -5.468687679e-03 5.34 -4.727308050e-03 5.36 -4.086304117e-03 5.38 -3.532410046e-03 5.40 -3.053992901e-03 5.42 -2.640888024e-03 5.44 -2.284240236e-03 5.46 -1.976354338e-03 5.48 -1.710556987e-03 5.50 -1.481070846e-03 5.52 -1.282901239e-03 5.54 -1.111734960e-03 5.56 -9.638506055e-04 5.58 -8.360395827e-04 5.60 -7.255368685e-04 5.62 -6.299605583e-04 5.64 -5.472592636e-04 5.66 -4.756664673e-04 5.68 -4.136610028e-04 5.70 -3.599329015e-04 5.72 -3.133539229e-04 5.74 -2.729521552e-04 5.76 -2.378901472e-04 5.78 -2.074460933e-04 5.80 -1.809976553e-04 5.82 -1.580080573e-04 5.84 -1.380141371e-04 5.86 -1.206160816e-04 5.88 -1.054686077e-04 5.90 -9.227338714e-05 5.92 -8.077253710e-05 5.94 -7.074302730e-05 5.96 -6.199187257e-05 5.98 -5.435199988e-05 6.00 -4.767869409e-05