# 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 = Ag2Pt # 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 3.448058367e+02 1.16 3.188148644e+02 1.18 2.948705052e+02 1.20 2.727817336e+02 1.22 2.523712845e+02 1.24 2.334863761e+02 1.26 2.159937671e+02 1.28 1.997726679e+02 1.30 1.847143396e+02 1.32 1.707254593e+02 1.34 1.577284970e+02 1.36 1.456558124e+02 1.38 1.344412991e+02 1.40 1.240165571e+02 1.42 1.143133210e+02 1.44 1.052684674e+02 1.46 9.682801867e+01 1.48 8.894826098e+01 1.50 8.159338787e+01 1.52 7.473106582e+01 1.54 6.832935601e+01 1.56 6.241027569e+01 1.58 5.697974787e+01 1.60 5.199187371e+01 1.62 4.740569720e+01 1.64 4.318535665e+01 1.66 3.930001197e+01 1.68 3.572346158e+01 1.70 3.243325760e+01 1.72 2.940939320e+01 1.74 2.663294006e+01 1.76 2.408512983e+01 1.78 2.174720708e+01 1.80 1.960095100e+01 1.82 1.762939527e+01 1.84 1.581729564e+01 1.86 1.415119372e+01 1.88 1.261918221e+01 1.90 1.121055901e+01 1.92 9.915526364e+00 1.94 8.725026178e+00 1.96 7.630721613e+00 1.98 6.625051701e+00 2.00 5.701249729e+00 2.02 4.853263760e+00 2.04 4.075603144e+00 2.06 3.363178470e+00 2.08 2.711184525e+00 2.10 2.115038544e+00 2.12 1.570365296e+00 2.14 1.073016387e+00 2.16 6.191098228e-01 2.18 2.050732179e-01 2.20 -1.723249987e-01 2.22 -5.159655328e-01 2.24 -8.288474812e-01 2.26 -1.114734415e+00 2.28 -1.375185108e+00 2.30 -1.611439316e+00 2.32 -1.824650444e+00 2.34 -2.015910222e+00 2.36 -2.186272518e+00 2.38 -2.336773989e+00 2.40 -2.468451001e+00 2.42 -2.582354244e+00 2.44 -2.679563645e+00 2.46 -2.761205284e+00 2.48 -2.828468507e+00 2.50 -2.882616918e+00 2.52 -2.924983915e+00 2.54 -2.956945283e+00 2.56 -2.979868690e+00 2.58 -2.995049847e+00 2.60 -3.003651534e+00 2.62 -3.006660297e+00 2.64 -3.004867790e+00 2.66 -2.998874890e+00 2.68 -2.989133464e+00 2.70 -2.976161596e+00 2.72 -2.960000510e+00 2.74 -2.940552580e+00 2.76 -2.917724147e+00 2.78 -2.891434067e+00 2.80 -2.861621715e+00 2.82 -2.828254749e+00 2.84 -2.791337819e+00 2.86 -2.750923427e+00 2.88 -2.707132163e+00 2.90 -2.660167433e+00 2.92 -2.610315863e+00 2.94 -2.557952280e+00 2.96 -2.503534594e+00 2.98 -2.447585173e+00 3.00 -2.390663489e+00 3.02 -2.333421706e+00 3.04 -2.276538000e+00 3.06 -2.220557385e+00 3.08 -2.165875707e+00 3.10 -2.112747213e+00 3.12 -2.061303844e+00 3.14 -2.011580239e+00 3.16 -1.963539547e+00 3.18 -1.917097070e+00 3.20 -1.872140198e+00 3.22 -1.828544187e+00 3.24 -1.786183846e+00 3.26 -1.744941565e+00 3.28 -1.704712273e+00 3.30 -1.665405981e+00 3.32 -1.626948567e+00 3.34 -1.589281341e+00 3.36 -1.552359818e+00 3.38 -1.516152034e+00 3.40 -1.480636608e+00 3.42 -1.445800722e+00 3.44 -1.411638116e+00 3.46 -1.378147190e+00 3.48 -1.345329272e+00 3.50 -1.313187078e+00 3.52 -1.281723390e+00 3.54 -1.250939958e+00 3.56 -1.220836615e+00 3.58 -1.191410591e+00 3.60 -1.162656010e+00 3.62 -1.134563558e+00 3.64 -1.107120320e+00 3.66 -1.080309773e+00 3.68 -1.054111949e+00 3.70 -1.028503763e+00 3.72 -1.003459505e+00 3.74 -9.789514902e-01 3.76 -9.549508273e-01 3.78 -9.314282850e-01 3.80 -9.083551827e-01 3.82 -8.857042512e-01 3.84 -8.634503910e-01 3.86 -8.415712679e-01 3.88 -8.200476993e-01 3.90 -7.988638072e-01 3.92 -7.780069399e-01 3.94 -7.574673927e-01 3.96 -7.372379632e-01 3.98 -7.173134183e-01 4.00 -6.976899246e-01 4.02 -6.783645098e-01 4.04 -6.593346085e-01 4.06 -6.405977334e-01 4.08 -6.221512990e-01 4.10 -6.039926056e-01 4.12 -5.861190095e-01 4.14 -5.685281895e-01 4.16 -5.512185769e-01 4.18 -5.341898261e-01 4.20 -5.174432942e-01 4.22 -5.009824517e-01 4.24 -4.848131422e-01 4.26 -4.689436109e-01 4.28 -4.533842381e-01 4.30 -4.381469398e-01 4.32 -4.232442427e-01 4.34 -4.086880886e-01 4.36 -3.944884764e-01 4.38 -3.806520818e-01 4.40 -3.671810142e-01 4.42 -3.540718540e-01 4.44 -3.413150781e-01 4.46 -3.288949271e-01 4.48 -3.167897121e-01 4.50 -3.049725094e-01 4.52 -2.934121651e-01 4.54 -2.820745164e-01 4.56 -2.709237471e-01 4.58 -2.599238096e-01 4.60 -2.490398674e-01 4.62 -2.382397289e-01 4.64 -2.274952536e-01 4.66 -2.167837097e-01 4.68 -2.060890557e-01 4.70 -1.954030980e-01 4.72 -1.847264582e-01 4.74 -1.740692628e-01 4.76 -1.634514576e-01 4.78 -1.529026498e-01 4.80 -1.424613992e-01 4.82 -1.321739345e-01 4.84 -1.220922825e-01 4.86 -1.122719420e-01 4.88 -1.027692247e-01 4.90 -9.363848011e-02 4.92 -8.492943829e-02 4.94 -7.668489090e-02 4.96 -6.893889741e-02 4.98 -6.171563358e-02 5.00 -5.502892308e-02 5.02 -4.888241658e-02 5.04 -4.327032182e-02 5.06 -3.817854906e-02 5.08 -3.358611731e-02 5.10 -2.946667866e-02 5.12 -2.579005116e-02 5.14 -2.252362780e-02 5.16 -1.963353512e-02 5.18 -1.708524015e-02 5.20 -1.484628798e-02 5.22 -1.288573665e-02 5.24 -1.117320996e-02 5.26 -9.680505365e-03 5.28 -8.381792290e-03 5.30 -7.253637544e-03 5.32 -6.274952938e-03 5.34 -5.426889638e-03 5.36 -4.692698353e-03 5.38 -4.057569871e-03 5.40 -3.508466739e-03 5.42 -3.033953943e-03 5.44 -2.624034051e-03 5.46 -2.269990531e-03 5.48 -1.964241530e-03 5.50 -1.700205374e-03 5.52 -1.472178300e-03 5.54 -1.275224351e-03 5.56 -1.105077027e-03 5.58 -9.580520037e-04 5.60 -8.309701227e-04 5.62 -7.210897533e-04 5.64 -6.260476267e-04 5.66 -5.438072550e-04 5.68 -4.726140891e-04 5.70 -4.109566286e-04 5.72 -3.575327598e-04 5.74 -3.112206683e-04 5.76 -2.710537369e-04 5.78 -2.361989086e-04 5.80 -2.059380515e-04 5.82 -1.796519208e-04 5.84 -1.568063632e-04 5.86 -1.369404549e-04 5.88 -1.196563041e-04 5.90 -1.046102869e-04 5.92 -9.150551398e-05 5.94 -8.008535694e-05 5.96 -7.012788273e-05 5.98 -6.144106944e-05 6.00 -5.385869220e-05