# 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 = W2Zr # 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 5.391542967e+02 1.16 4.965508502e+02 1.18 4.575044396e+02 1.20 4.217046081e+02 1.22 3.888625375e+02 1.24 3.587097275e+02 1.26 3.309997266e+02 1.28 3.055096709e+02 1.30 2.820391268e+02 1.32 2.604069976e+02 1.34 2.404479716e+02 1.36 2.220107588e+02 1.38 2.049586966e+02 1.40 1.891708450e+02 1.42 1.745414526e+02 1.44 1.609776766e+02 1.46 1.483971353e+02 1.48 1.367261795e+02 1.50 1.258985888e+02 1.52 1.158544274e+02 1.54 1.065392153e+02 1.56 9.790337282e+01 1.58 8.990181514e+01 1.60 8.249324710e+01 1.62 7.563908837e+01 1.64 6.930230949e+01 1.66 6.344661396e+01 1.68 5.803615442e+01 1.70 5.303579783e+01 1.72 4.841171509e+01 1.74 4.413209765e+01 1.76 4.016777022e+01 1.78 3.649259243e+01 1.80 3.308353028e+01 1.82 2.992047668e+01 1.84 2.698578888e+01 1.86 2.426415206e+01 1.88 2.174301567e+01 1.90 1.941054016e+01 1.92 1.725551780e+01 1.94 1.526715947e+01 1.96 1.343517030e+01 1.98 1.174954660e+01 2.00 1.020047182e+01 2.02 8.778264039e+00 2.04 7.473341935e+00 2.06 6.276196286e+00 2.08 5.177393333e+00 2.10 4.167635533e+00 2.12 3.237940118e+00 2.14 2.379876204e+00 2.16 1.585835909e+00 2.18 8.492267959e-01 2.20 1.645459351e-01 2.22 -4.726936784e-01 2.24 -1.066116275e+00 2.26 -1.618667498e+00 2.28 -2.132786973e+00 2.30 -2.610548416e+00 2.32 -3.053796050e+00 2.34 -3.464202052e+00 2.36 -3.843355441e+00 2.38 -4.192795344e+00 2.40 -4.514029770e+00 2.42 -4.808544953e+00 2.44 -5.077798155e+00 2.46 -5.323217728e+00 2.48 -5.546195560e+00 2.50 -5.748076183e+00 2.52 -5.930078886e+00 2.54 -6.093232398e+00 2.56 -6.238773914e+00 2.58 -6.367806593e+00 2.60 -6.481267905e+00 2.62 -6.579949002e+00 2.64 -6.664545590e+00 2.66 -6.735675358e+00 2.68 -6.793930384e+00 2.70 -6.839658172e+00 2.72 -6.872797282e+00 2.74 -6.893230462e+00 2.76 -6.900972308e+00 2.78 -6.896161255e+00 2.80 -6.879043809e+00 2.82 -6.849944523e+00 2.84 -6.809264897e+00 2.86 -6.757477281e+00 2.88 -6.695035884e+00 2.90 -6.622370085e+00 2.92 -6.540038334e+00 2.94 -6.448738609e+00 2.96 -6.349299770e+00 2.98 -6.242662670e+00 3.00 -6.129849575e+00 3.02 -6.011922897e+00 3.04 -5.889936756e+00 3.06 -5.764886878e+00 3.08 -5.637665089e+00 3.10 -5.509024129e+00 3.12 -5.379551736e+00 3.14 -5.249686777e+00 3.16 -5.119695462e+00 3.18 -4.989717923e+00 3.20 -4.859792952e+00 3.22 -4.729893919e+00 3.24 -4.599965271e+00 3.26 -4.469955801e+00 3.28 -4.339845400e+00 3.30 -4.209663071e+00 3.32 -4.079495540e+00 3.34 -3.949487818e+00 3.36 -3.819838697e+00 3.38 -3.690794693e+00 3.40 -3.562643639e+00 3.42 -3.435716774e+00 3.44 -3.310376446e+00 3.46 -3.187016871e+00 3.48 -3.066052766e+00 3.50 -2.947904933e+00 3.52 -2.832982003e+00 3.54 -2.721660489e+00 3.56 -2.614265774e+00 3.58 -2.511056489e+00 3.60 -2.412214073e+00 3.62 -2.317838329e+00 3.64 -2.227948910e+00 3.66 -2.142491930e+00 3.68 -2.061350435e+00 3.70 -1.984357336e+00 3.72 -1.911309448e+00 3.74 -1.841981480e+00 3.76 -1.776139059e+00 3.78 -1.713550084e+00 3.80 -1.653993891e+00 3.82 -1.597267806e+00 3.84 -1.543190869e+00 3.86 -1.491604643e+00 3.88 -1.442371373e+00 3.90 -1.395370065e+00 3.92 -1.350491385e+00 3.94 -1.307632436e+00 3.96 -1.266692387e+00 3.98 -1.227569617e+00 4.00 -1.190160610e+00 4.02 -1.154360404e+00 4.04 -1.120064112e+00 4.06 -1.087168952e+00 4.08 -1.055576272e+00 4.10 -1.025185507e+00 4.12 -9.959277203e-01 4.14 -9.677150888e-01 4.16 -9.404766962e-01 4.18 -9.141496374e-01 4.20 -8.886780949e-01 4.22 -8.640124076e-01 4.24 -8.401084752e-01 4.26 -8.169271134e-01 4.28 -7.944334195e-01 4.30 -7.725961812e-01 4.32 -7.513873451e-01 4.34 -7.307815513e-01 4.36 -7.107557314e-01 4.38 -6.912887671e-01 4.40 -6.723612018e-01 4.42 -6.539549989e-01 4.44 -6.360533397e-01 4.46 -6.186404556e-01 4.48 -6.017014877e-01 4.50 -5.852223714e-01 4.52 -5.691897390e-01 4.54 -5.535908396e-01 4.56 -5.384134719e-01 4.58 -5.236459280e-01 4.60 -5.092769461e-01 4.62 -4.952956713e-01 4.64 -4.816916218e-01 4.66 -4.684546605e-01 4.68 -4.555749708e-01 4.70 -4.430430358e-01 4.72 -4.308496205e-01 4.74 -4.189857558e-01 4.76 -4.074427254e-01 4.78 -3.962120534e-01 4.80 -3.852812584e-01 4.82 -3.746515080e-01 4.84 -3.643099054e-01 4.86 -3.542488638e-01 4.88 -3.444609893e-01 4.90 -3.349390753e-01 4.92 -3.256760969e-01 4.94 -3.166652059e-01 4.96 -3.078997256e-01 4.98 -2.993731465e-01 5.00 -2.910791213e-01 5.02 -2.830114605e-01 5.04 -2.751641284e-01 5.06 -2.675312387e-01 5.08 -2.601070501e-01 5.10 -2.528859627e-01 5.12 -2.458625134e-01 5.14 -2.390313723e-01 5.16 -2.323873385e-01 5.18 -2.259253359e-01 5.20 -2.196404095e-01 5.22 -2.135277209e-01 5.24 -2.075825444e-01 5.26 -2.018002629e-01 5.28 -1.961763632e-01 5.30 -1.907064321e-01 5.32 -1.853861513e-01 5.34 -1.802112933e-01 5.36 -1.751777163e-01 5.38 -1.702813595e-01 5.40 -1.655182377e-01 5.42 -1.608844358e-01 5.44 -1.563761038e-01 5.46 -1.519894506e-01 5.48 -1.477207378e-01 5.50 -1.435662739e-01 5.52 -1.395224073e-01 5.54 -1.355855193e-01 5.56 -1.317520174e-01 5.58 -1.280183278e-01 5.60 -1.243808871e-01 5.62 -1.208361355e-01 5.64 -1.173805078e-01 5.66 -1.140104257e-01 5.68 -1.107222900e-01 5.70 -1.075124721e-01 5.72 -1.043773071e-01 5.74 -1.013130862e-01 5.76 -9.831605132e-02 5.78 -9.538239006e-02 5.80 -9.250823277e-02 5.82 -8.968965198e-02 5.84 -8.692266481e-02 5.86 -8.420323919e-02 5.88 -8.152730481e-02 5.90 -7.889076983e-02 5.92 -7.628954454e-02 5.94 -7.371957307e-02 5.96 -7.117687445e-02 5.98 -6.865759405e-02 6.00 -6.615806649e-02