# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Schopf-D-Brommer-P-Frigan-B-Trebin-H-R--Al-Mn-Pd # implementation = EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 # composition = AlMn2 # 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 2022-05-24 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 nan 1.16 3.460927947e+02 1.18 3.057338019e+02 1.20 2.706716232e+02 1.22 2.401419945e+02 1.24 2.134987177e+02 1.26 1.901988292e+02 1.28 1.697679203e+02 1.30 1.518020556e+02 1.32 1.359745531e+02 1.34 1.219986092e+02 1.36 1.096190369e+02 1.38 9.863110749e+01 1.40 8.886774536e+01 1.42 8.017953074e+01 1.44 7.243687479e+01 1.46 6.553492645e+01 1.48 5.938261355e+01 1.50 5.388769555e+01 1.52 4.895782705e+01 1.54 4.451890180e+01 1.56 4.052066750e+01 1.58 3.692315045e+01 1.60 3.368403700e+01 1.62 3.075683777e+01 1.64 2.809785309e+01 1.66 2.520008868e+01 1.68 2.152697807e+01 1.70 1.823866974e+01 1.72 1.529276941e+01 1.74 1.265001458e+01 1.76 1.027400678e+01 1.78 8.148209540e+00 1.80 6.264162073e+00 1.82 4.567384297e+00 1.84 3.043810061e+00 1.86 1.681878285e+00 1.88 4.716145478e-01 1.90 -5.959475844e-01 1.92 -1.530509296e+00 1.94 -2.344460295e+00 1.96 -3.052641822e+00 1.98 -3.668925062e+00 2.00 -4.203109098e+00 2.02 -4.661492599e+00 2.04 -5.049409477e+00 2.06 -5.372872321e+00 2.08 -5.638569909e+00 2.10 -5.852910947e+00 2.12 -6.021677668e+00 2.14 -6.150021589e+00 2.16 -6.242669632e+00 2.18 -6.304416205e+00 2.20 -6.340723367e+00 2.22 -6.357805486e+00 2.24 -6.361652899e+00 2.26 -6.356585657e+00 2.28 -6.344695662e+00 2.30 -6.326509133e+00 2.32 -6.301998963e+00 2.34 -6.271224228e+00 2.36 -6.234462604e+00 2.38 -6.191940931e+00 2.40 -6.143736437e+00 2.42 -6.089815803e+00 2.44 -6.030067936e+00 2.46 -5.964326422e+00 2.48 -5.892382705e+00 2.50 -5.813994437e+00 2.52 -5.728900432e+00 2.54 -5.636852485e+00 2.56 -5.537684748e+00 2.58 -5.431446785e+00 2.60 -5.318597296e+00 2.62 -5.200177585e+00 2.64 -5.077796521e+00 2.66 -4.953302425e+00 2.68 -4.828268400e+00 2.70 -4.703633380e+00 2.72 -4.579710871e+00 2.74 -4.456456418e+00 2.76 -4.333756843e+00 2.78 -4.211600055e+00 2.80 -4.090113870e+00 2.82 -3.969466538e+00 2.84 -3.849757419e+00 2.86 -3.730998880e+00 2.88 -3.613108206e+00 2.90 -3.495897399e+00 2.92 -3.379058579e+00 2.94 -3.262140915e+00 2.96 -3.144511677e+00 2.98 -3.025287063e+00 3.00 -2.903202788e+00 3.02 -2.776354296e+00 3.04 -2.641617909e+00 3.06 -2.493130640e+00 3.08 -2.316967489e+00 3.10 -2.053596818e+00 3.12 -1.717370739e+00 3.14 -1.671492679e+00 3.16 -1.627066000e+00 3.18 -1.584048954e+00 3.20 -1.542420205e+00 3.22 -1.502174233e+00 3.24 -1.463315306e+00 3.26 -1.425850483e+00 3.28 -1.389782505e+00 3.30 -1.355104047e+00 3.32 -1.321795752e+00 3.34 -1.289831546e+00 3.36 -1.259195520e+00 3.38 -1.229913901e+00 3.40 -1.202101196e+00 3.42 -1.176010045e+00 3.44 -1.152061531e+00 3.46 -1.130826122e+00 3.48 -1.112938415e+00 3.50 -1.098963997e+00 3.52 -1.089271764e+00 3.54 -1.083967624e+00 3.56 -1.082909120e+00 3.58 -1.085777211e+00 3.60 -1.092164305e+00 3.62 -1.101647172e+00 3.64 -1.113832737e+00 3.66 -1.128378821e+00 3.68 -1.144991592e+00 3.70 -1.163389249e+00 3.72 -1.183283597e+00 3.74 -1.204383394e+00 3.76 -1.226398443e+00 3.78 -1.249043331e+00 3.80 -1.272040779e+00 3.82 -1.295124526e+00 3.84 -1.318041754e+00 3.86 -1.340555005e+00 3.88 -1.362443639e+00 3.90 -1.383504818e+00 3.92 -1.403554075e+00 3.94 -1.422425505e+00 3.96 -1.439971623e+00 3.98 -1.456062951e+00 4.00 -1.470587381e+00 4.02 -1.483449377e+00 4.04 -1.494569049e+00 4.06 -1.503881158e+00 4.08 -1.511334081e+00 4.10 -1.516888769e+00 4.12 -1.520517735e+00 4.14 -1.522204074e+00 4.16 -1.521940541e+00 4.18 -1.519728701e+00 4.20 -1.782019831e+00 4.22 -1.863025524e+00 4.24 -1.915948485e+00 4.26 -1.953971563e+00 4.28 -1.982032621e+00 4.30 -2.002618576e+00 4.32 -2.017196341e+00 4.34 -2.026724899e+00 4.36 -2.031880024e+00 4.38 -2.033166691e+00 4.40 -2.030980820e+00 4.42 -2.025645578e+00 4.44 -2.017433976e+00 4.46 -2.006583448e+00 4.48 -1.993305621e+00 4.50 -1.977793018e+00 4.52 -1.960223729e+00 4.54 -1.940764722e+00 4.56 -1.919574170e+00 4.58 -1.896803116e+00 4.60 -1.872596622e+00 4.62 -1.847094553e+00 4.64 -1.820432074e+00 4.66 -1.792739945e+00 4.68 -1.764144643e+00 4.70 -1.734768380e+00 4.72 -1.704729006e+00 4.74 -1.674139878e+00 4.76 -1.643109659e+00 4.78 -1.611742104e+00 4.80 -1.580135835e+00 4.82 -1.548384110e+00 4.84 -1.516574620e+00 4.86 -1.484789287e+00 4.88 -1.453104105e+00 4.90 -1.421589019e+00 4.92 -1.390307838e+00 4.94 -1.359318190e+00 4.96 -1.328671528e+00 4.98 -1.298413189e+00 5.00 -1.268582485e+00 5.02 -1.239212856e+00 5.04 -1.210332050e+00 5.06 -1.181962363e+00 5.08 -1.154120900e+00 5.10 -1.126819869e+00 5.12 -1.100066916e+00 5.14 -1.073865466e+00 5.16 -1.048215097e+00 5.18 -1.023111900e+00 5.20 -9.985488847e-01 5.22 -9.745163448e-01 5.24 -9.510022452e-01 5.26 -9.279925895e-01 5.28 -9.054718053e-01 5.30 -8.834230456e-01 5.32 -8.618285556e-01 5.34 -8.406699642e-01 5.36 -8.199285711e-01 5.38 -7.995855968e-01 5.40 -7.796224442e-01 5.42 -7.600208693e-01 5.44 -7.407632192e-01 5.46 -7.218325460e-01 5.48 -7.032127825e-01 5.50 -6.848888071e-01 5.52 -6.668466133e-01 5.54 -6.490732970e-01 5.56 -6.315571696e-01 5.58 -6.142877192e-01 5.60 -5.972557955e-01 5.62 -5.804533228e-01 5.64 -5.638735976e-01 5.66 -5.475110170e-01 5.68 -5.313612148e-01 5.70 -5.154209343e-01 5.72 -4.996879418e-01 5.74 -4.841610271e-01 5.76 -4.688400260e-01 5.78 -4.537255561e-01 5.80 -4.388187982e-01 5.82 -4.241218806e-01 5.84 -4.096378394e-01 5.86 -3.953692787e-01 5.88 -3.813205594e-01 5.90 -3.674950708e-01 5.92 -3.538974436e-01 5.94 -3.405318191e-01 5.96 -3.274033628e-01 5.98 -3.145156004e-01 6.00 -3.018735284e-01