# 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 = Mg2Ni # 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 3.338977824e+02 1.16 3.073032717e+02 1.18 2.829163756e+02 1.20 2.605401050e+02 1.22 2.399955417e+02 1.24 2.211211264e+02 1.26 2.037716257e+02 1.28 1.878161120e+02 1.30 1.731353954e+02 1.32 1.596199891e+02 1.34 1.471695965e+02 1.36 1.356936850e+02 1.38 1.251115262e+02 1.40 1.153510115e+02 1.42 1.063469984e+02 1.44 9.803979411e+01 1.46 9.037370484e+01 1.48 8.329750498e+01 1.50 7.676362506e+01 1.52 7.072811184e+01 1.54 6.515083078e+01 1.56 5.999542835e+01 1.58 5.522892332e+01 1.60 5.082119673e+01 1.62 4.674465839e+01 1.64 4.297409311e+01 1.66 3.948649315e+01 1.68 3.626080936e+01 1.70 3.327768309e+01 1.72 3.051919242e+01 1.74 2.796863724e+01 1.76 2.561037437e+01 1.78 2.342973637e+01 1.80 2.141304375e+01 1.82 1.954768252e+01 1.84 1.782215755e+01 1.86 1.622606535e+01 1.88 1.474996091e+01 1.90 1.338518019e+01 1.92 1.212368030e+01 1.94 1.095793450e+01 1.96 9.880891148e+00 1.98 8.885977165e+00 2.00 7.967110772e+00 2.02 7.118693886e+00 2.04 6.335581125e+00 2.06 5.613035850e+00 2.08 4.946685575e+00 2.10 4.332488125e+00 2.12 3.766705321e+00 2.14 3.245883063e+00 2.16 2.766832292e+00 2.18 2.326603475e+00 2.20 1.922459966e+00 2.22 1.551847031e+00 2.24 1.212360159e+00 2.26 9.017230341e-01 2.28 6.177667028e-01 2.30 3.584164582e-01 2.32 1.216769576e-01 2.34 -9.432540661e-02 2.36 -2.912117406e-01 2.38 -4.704727951e-01 2.40 -6.334810905e-01 2.42 -7.814688598e-01 2.44 -9.155274644e-01 2.46 -1.036626526e+00 2.48 -1.145638153e+00 2.50 -1.243358747e+00 2.52 -1.330524586e+00 2.54 -1.407821721e+00 2.56 -1.475892206e+00 2.58 -1.535338747e+00 2.60 -1.586729487e+00 2.62 -1.630603782e+00 2.64 -1.667480904e+00 2.66 -1.697867361e+00 2.68 -1.722267373e+00 2.70 -1.741190079e+00 2.72 -1.755152776e+00 2.74 -1.764677396e+00 2.76 -1.770279298e+00 2.78 -1.772449850e+00 2.80 -1.771639220e+00 2.82 -1.768252170e+00 2.84 -1.762662430e+00 2.86 -1.755088184e+00 2.88 -1.745695608e+00 2.90 -1.734622595e+00 2.92 -1.721988740e+00 2.94 -1.707903601e+00 2.96 -1.692472389e+00 2.98 -1.675789956e+00 3.00 -1.657882616e+00 3.02 -1.638759739e+00 3.04 -1.618452353e+00 3.06 -1.597010413e+00 3.08 -1.574496353e+00 3.10 -1.550983802e+00 3.12 -1.526554151e+00 3.14 -1.501295666e+00 3.16 -1.475299497e+00 3.18 -1.448659440e+00 3.20 -1.421469954e+00 3.22 -1.393824811e+00 3.24 -1.365816007e+00 3.26 -1.337532905e+00 3.28 -1.309061453e+00 3.30 -1.280483308e+00 3.32 -1.251874764e+00 3.34 -1.223305532e+00 3.36 -1.194837627e+00 3.38 -1.166524625e+00 3.40 -1.138411356e+00 3.42 -1.110534976e+00 3.44 -1.082924896e+00 3.46 -1.055604680e+00 3.48 -1.028593096e+00 3.50 -1.001905275e+00 3.52 -9.755536980e-01 3.54 -9.495490088e-01 3.56 -9.239006483e-01 3.58 -8.986173335e-01 3.60 -8.737073933e-01 3.62 -8.491789761e-01 3.64 -8.250401492e-01 3.66 -8.012989192e-01 3.68 -7.779632076e-01 3.70 -7.550408208e-01 3.72 -7.325394510e-01 3.74 -7.104667251e-01 3.76 -6.888303039e-01 3.78 -6.676380009e-01 3.80 -6.468978665e-01 3.82 -6.266181675e-01 3.84 -6.068071907e-01 3.86 -5.874728266e-01 3.88 -5.686219388e-01 3.90 -5.502595856e-01 3.92 -5.323879178e-01 3.94 -5.150067533e-01 3.96 -4.981111413e-01 3.98 -4.816926506e-01 4.00 -4.657391791e-01 4.02 -4.502353904e-01 4.04 -4.351632988e-01 4.06 -4.205029008e-01 4.08 -4.062327725e-01 4.10 -3.923301989e-01 4.12 -3.787732213e-01 4.14 -3.655383976e-01 4.16 -3.526029018e-01 4.18 -3.399442960e-01 4.20 -3.275408050e-01 4.22 -3.153716428e-01 4.24 -3.034174212e-01 4.26 -2.916606572e-01 4.28 -2.800863901e-01 4.30 -2.686828941e-01 4.32 -2.574424586e-01 4.34 -2.463621766e-01 4.36 -2.354446617e-01 4.38 -2.246985877e-01 4.40 -2.141389351e-01 4.42 -2.037868330e-01 4.44 -1.936689096e-01 4.46 -1.838161190e-01 4.48 -1.742620823e-01 4.50 -1.650410598e-01 4.52 -1.561857448e-01 4.54 -1.477251110e-01 4.56 -1.396825506e-01 4.58 -1.320744994e-01 4.60 -1.249096707e-01 4.62 -1.181889267e-01 4.64 -1.119057315e-01 4.66 -1.060470589e-01 4.68 -1.005945981e-01 4.70 -9.552610015e-02 4.72 -9.081669732e-02 4.74 -8.644012044e-02 4.76 -8.236974590e-02 4.78 -7.857942044e-02 4.80 -7.504352916e-02 4.82 -7.173968252e-02 4.84 -6.864539806e-02 4.86 -6.574071744e-02 4.88 -6.300755987e-02 4.90 -6.042958107e-02 4.92 -5.799178488e-02 4.94 -5.568132529e-02 4.96 -5.348683390e-02 4.98 -5.139817427e-02 5.00 -4.940631003e-02 5.02 -4.750317760e-02 5.04 -4.568156767e-02 5.06 -4.393501784e-02 5.08 -4.225771767e-02 5.10 -4.064442652e-02 5.12 -3.909040420e-02 5.14 -3.759135416e-02 5.16 -3.614337856e-02 5.18 -3.474294483e-02 5.20 -3.338686285e-02 5.22 -3.207227196e-02 5.24 -3.079663670e-02 5.26 -2.955774980e-02 5.28 -2.835374057e-02 5.30 -2.718308620e-02 5.32 -2.604462307e-02 5.34 -2.493755434e-02 5.36 -2.386145007e-02 5.38 -2.281623581e-02 5.40 -2.180216637e-02 5.42 -2.081978241e-02 5.44 -1.986984921e-02 5.46 -1.895327907e-02 5.48 -1.807104140e-02 5.50 -1.722406639e-02 5.52 -1.641315002e-02 5.54 -1.563886830e-02 5.56 -1.490150811e-02 5.58 -1.420102013e-02 5.60 -1.353699669e-02 5.62 -1.290867444e-02 5.64 -1.231495918e-02 5.66 -1.175446813e-02 5.68 -1.122558381e-02 5.70 -1.072651360e-02 5.72 -1.025534968e-02 5.74 -9.810124744e-03 5.76 -9.388841208e-03 5.78 -8.989544412e-03 5.80 -8.610355712e-03 5.82 -8.249481094e-03 5.84 -7.905226703e-03 5.86 -7.576007971e-03 5.88 -7.260353731e-03 5.90 -6.956906668e-03 5.92 -6.664421356e-03 5.94 -6.381760928e-03 5.96 -6.107893267e-03 5.98 -5.841887400e-03 6.00 -5.582910575e-03