# 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 = Ag2Ti # 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 3.261473342e+02 1.16 3.010758219e+02 1.18 2.780259971e+02 1.20 2.568153986e+02 1.22 2.372806140e+02 1.24 2.192759000e+02 1.26 2.026713817e+02 1.28 1.873507517e+02 1.30 1.732085154e+02 1.32 1.601476513e+02 1.34 1.480786158e+02 1.36 1.369194486e+02 1.38 1.265958492e+02 1.40 1.170406071e+02 1.42 1.081926389e+02 1.44 9.999614010e+01 1.46 9.240008174e+01 1.48 8.535794333e+01 1.50 7.882746414e+01 1.52 7.277021349e+01 1.54 6.715096782e+01 1.56 6.193723647e+01 1.58 5.709928716e+01 1.60 5.261249548e+01 1.62 4.845157678e+01 1.64 4.459222608e+01 1.66 4.101205483e+01 1.68 3.769036356e+01 1.70 3.460795750e+01 1.72 3.174706111e+01 1.74 2.909128814e+01 1.76 2.662558418e+01 1.78 2.433612330e+01 1.80 2.221021527e+01 1.82 2.023625740e+01 1.84 1.840368633e+01 1.86 1.670287464e+01 1.88 1.512496872e+01 1.90 1.366171053e+01 1.92 1.230529094e+01 1.94 1.104827193e+01 1.96 9.883590208e+00 1.98 8.804616376e+00 2.00 7.805210552e+00 2.02 6.879726492e+00 2.04 6.022963865e+00 2.06 5.230104297e+00 2.08 4.496665179e+00 2.10 3.818478495e+00 2.12 3.191679957e+00 2.14 2.612692494e+00 2.16 2.078203006e+00 2.18 1.585140186e+00 2.20 1.130659159e+00 2.22 7.121299199e-01 2.24 3.271233420e-01 2.26 -2.660957247e-02 2.28 -3.511632535e-01 2.30 -6.485008469e-01 2.32 -9.204683180e-01 2.34 -1.168796624e+00 2.36 -1.395122477e+00 2.38 -1.600996422e+00 2.40 -1.787729654e+00 2.42 -1.956550582e+00 2.44 -2.108634099e+00 2.46 -2.245114595e+00 2.48 -2.367093420e+00 2.50 -2.475640065e+00 2.52 -2.571750835e+00 2.54 -2.656241341e+00 2.56 -2.729876975e+00 2.58 -2.793406355e+00 2.60 -2.847555058e+00 2.62 -2.893021647e+00 2.64 -2.930473366e+00 2.66 -2.960539492e+00 2.68 -2.983804379e+00 2.70 -3.000802042e+00 2.72 -3.012099372e+00 2.74 -3.018312415e+00 2.76 -3.019600924e+00 2.78 -3.016106676e+00 2.80 -3.007988503e+00 2.82 -2.995418641e+00 2.84 -2.978579742e+00 2.86 -2.957662056e+00 2.88 -2.932862057e+00 2.90 -2.904392909e+00 2.92 -2.872488841e+00 2.94 -2.837393744e+00 2.96 -2.799367094e+00 2.98 -2.758691443e+00 3.00 -2.715678044e+00 3.02 -2.670667913e+00 3.04 -2.624026093e+00 3.06 -2.576128482e+00 3.08 -2.527343019e+00 3.10 -2.478009193e+00 3.12 -2.428420484e+00 3.14 -2.378813729e+00 3.16 -2.329365890e+00 3.18 -2.280198601e+00 3.20 -2.231387176e+00 3.22 -2.182971785e+00 3.24 -2.134968519e+00 3.26 -2.087378917e+00 3.28 -2.040197371e+00 3.30 -1.993416385e+00 3.32 -1.947030018e+00 3.34 -1.901035953e+00 3.36 -1.855436645e+00 3.38 -1.810239940e+00 3.40 -1.765459463e+00 3.42 -1.721115104e+00 3.44 -1.677233378e+00 3.46 -1.633848097e+00 3.48 -1.591000785e+00 3.50 -1.548740684e+00 3.52 -1.507123901e+00 3.54 -1.466211361e+00 3.56 -1.426065478e+00 3.58 -1.386745787e+00 3.60 -1.348304226e+00 3.62 -1.310780923e+00 3.64 -1.274201325e+00 3.66 -1.238575130e+00 3.68 -1.203897053e+00 3.70 -1.170149010e+00 3.72 -1.137303120e+00 3.74 -1.105324907e+00 3.76 -1.074176261e+00 3.78 -1.043817877e+00 3.80 -1.014211117e+00 3.82 -9.853192895e-01 3.84 -9.571084668e-01 3.86 -9.295479041e-01 3.88 -9.026101718e-01 3.90 -8.762710619e-01 3.92 -8.505093310e-01 3.94 -8.253063363e-01 3.96 -8.006455985e-01 3.98 -7.765123521e-01 4.00 -7.528931131e-01 4.02 -7.297753061e-01 4.04 -7.071469815e-01 4.06 -6.849966497e-01 4.08 -6.633132467e-01 4.10 -6.420861535e-01 4.12 -6.213058030e-01 4.14 -6.009634704e-01 4.16 -5.810521379e-01 4.18 -5.615668990e-01 4.20 -5.425054669e-01 4.22 -5.238686082e-01 4.24 -5.056604239e-01 4.26 -4.878884008e-01 4.28 -4.705631662e-01 4.30 -4.536979123e-01 4.32 -4.373074923e-01 4.34 -4.214072449e-01 4.36 -4.060116504e-01 4.38 -3.911329578e-01 4.40 -3.767799357e-01 4.42 -3.629568877e-01 4.44 -3.496630306e-01 4.46 -3.368922796e-01 4.48 -3.246334293e-01 4.50 -3.128706632e-01 4.52 -3.015843004e-01 4.54 -2.907516726e-01 4.56 -2.803480336e-01 4.58 -2.703474234e-01 4.60 -2.607234347e-01 4.62 -2.514498540e-01 4.64 -2.425011718e-01 4.66 -2.338529731e-01 4.68 -2.254822244e-01 4.70 -2.173674846e-01 4.72 -2.094890600e-01 4.74 -2.018291271e-01 4.76 -1.943718366e-01 4.78 -1.871034123e-01 4.80 -1.800121892e-01 4.82 -1.730889403e-01 4.84 -1.663265854e-01 4.86 -1.597204995e-01 4.88 -1.532684529e-01 4.90 -1.469705540e-01 4.92 -1.408291118e-01 4.94 -1.348484016e-01 4.96 -1.290343288e-01 4.98 -1.233939949e-01 5.00 -1.179351819e-01 5.02 -1.126657843e-01 5.04 -1.075932251e-01 5.06 -1.027239017e-01 5.08 -9.806270165e-02 5.10 -9.361262542e-02 5.12 -8.937453971e-02 5.14 -8.534707385e-02 5.16 -8.152665171e-02 5.18 -7.790764260e-02 5.20 -7.448248640e-02 5.22 -7.124205217e-02 5.24 -6.817641660e-02 5.26 -6.527475543e-02 5.28 -6.252566669e-02 5.30 -5.991747632e-02 5.32 -5.743849471e-02 5.34 -5.507722197e-02 5.36 -5.282250456e-02 5.38 -5.066364897e-02 5.40 -4.859049995e-02 5.42 -4.659349157e-02 5.44 -4.466367941e-02 5.46 -4.279276159e-02 5.48 -4.097309534e-02 5.50 -3.919771501e-02 5.52 -3.746035583e-02 5.54 -3.575548659e-02 5.56 -3.407835171e-02 5.58 -3.242502381e-02 5.60 -3.079246378e-02 5.62 -2.917858384e-02 5.64 -2.758230746e-02 5.66 -2.600361756e-02 5.68 -2.444358350e-02 5.70 -2.290435648e-02 5.72 -2.138912364e-02 5.74 -1.990201335e-02 5.76 -1.844794350e-02 5.78 -1.703220118e-02 5.80 -1.566060886e-02 5.82 -1.433922117e-02 5.84 -1.307386669e-02 5.86 -1.186986548e-02 5.88 -1.073177687e-02 5.90 -9.663196912e-03 5.92 -8.666619058e-03 5.94 -7.743365218e-03 5.96 -6.893586662e-03 5.98 -6.116327764e-03 6.00 -5.409640492e-03