# 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 = Al2Mn # 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 4.501580077e+02 1.18 3.950390519e+02 1.20 3.473606957e+02 1.22 3.060233542e+02 1.24 2.701014016e+02 1.26 2.388190045e+02 1.28 2.115077135e+02 1.30 1.876016850e+02 1.32 1.666385224e+02 1.34 1.482168687e+02 1.36 1.319842000e+02 1.38 1.176527777e+02 1.40 1.049847630e+02 1.42 9.377058372e+01 1.44 8.382969054e+01 1.46 7.501406408e+01 1.48 6.719590770e+01 1.50 6.025145730e+01 1.52 5.406105714e+01 1.54 4.852674371e+01 1.56 4.357729961e+01 1.58 3.915427718e+01 1.60 3.519906090e+01 1.62 3.127983953e+01 1.64 2.731373423e+01 1.66 2.375314939e+01 1.68 2.055569907e+01 1.70 1.768574721e+01 1.72 1.511007033e+01 1.74 1.287099901e+01 1.76 1.088339052e+01 1.78 9.096844330e+00 1.80 7.488898186e+00 1.82 6.042774880e+00 1.84 4.745269449e+00 1.86 3.584818960e+00 1.88 2.550857076e+00 1.90 1.633518910e+00 1.92 8.221686761e-01 1.94 1.036821803e-01 1.96 -5.371268857e-01 1.98 -1.113955284e+00 2.00 -1.635841342e+00 2.02 -2.107729235e+00 2.04 -2.533049067e+00 2.06 -2.915435336e+00 2.08 -3.258820268e+00 2.10 -3.566598448e+00 2.12 -3.841415705e+00 2.14 -4.085302530e+00 2.16 -4.300010008e+00 2.18 -4.487612913e+00 2.20 -4.651193672e+00 2.22 -4.794981933e+00 2.24 -4.923401608e+00 2.26 -5.039617773e+00 2.28 -5.144946211e+00 2.30 -5.239464624e+00 2.32 -5.322963222e+00 2.34 -5.395520098e+00 2.36 -5.457574226e+00 2.38 -5.509606897e+00 2.40 -5.552003873e+00 2.42 -5.585065059e+00 2.44 -5.609016675e+00 2.46 -5.624019634e+00 2.48 -5.630172881e+00 2.50 -5.627513454e+00 2.52 -5.616019829e+00 2.54 -5.595632908e+00 2.56 -5.566318852e+00 2.58 -5.528199198e+00 2.60 -5.481745565e+00 2.62 -5.427958215e+00 2.64 -5.368359989e+00 2.66 -5.304680590e+00 2.68 -5.238356881e+00 2.70 -5.170190472e+00 2.72 -5.100373413e+00 2.74 -5.028769922e+00 2.76 -4.955211865e+00 2.78 -4.879674491e+00 2.80 -4.802322263e+00 2.82 -4.723416516e+00 2.84 -4.643212837e+00 2.86 -4.561948780e+00 2.88 -4.479842277e+00 2.90 -4.397090257e+00 2.92 -4.313867662e+00 2.94 -4.230327047e+00 2.96 -4.146598895e+00 2.98 -4.062792710e+00 3.00 -3.978998913e+00 3.02 -3.895291474e+00 3.04 -3.811731163e+00 3.06 -3.728369146e+00 3.08 -3.645250530e+00 3.10 -3.562417947e+00 3.12 -3.479914884e+00 3.14 -3.397788417e+00 3.16 -3.316091143e+00 3.18 -3.234882109e+00 3.20 -3.154226623e+00 3.22 -3.074194893e+00 3.24 -2.994859586e+00 3.26 -2.916292630e+00 3.28 -2.838561938e+00 3.30 -2.761729387e+00 3.32 -2.685852263e+00 3.34 -2.610991552e+00 3.36 -2.537231084e+00 3.38 -2.464710926e+00 3.40 -2.393673983e+00 3.42 -2.324515124e+00 3.44 -2.257809656e+00 3.46 -2.194291295e+00 3.48 -2.134762972e+00 3.50 -2.079959087e+00 3.52 -2.030412733e+00 3.54 -1.986382882e+00 3.56 -1.947862623e+00 3.58 -1.914647148e+00 3.60 -1.886419717e+00 3.62 -1.862824006e+00 3.64 -1.843511165e+00 3.66 -1.828162980e+00 3.68 -1.816492491e+00 3.70 -1.808212156e+00 3.72 -1.803020245e+00 3.74 -1.800607663e+00 3.76 -1.800665346e+00 3.78 -1.802889923e+00 3.80 -1.806988736e+00 3.82 -1.812683319e+00 3.84 -1.819712102e+00 3.86 -1.827831873e+00 3.88 -1.836819071e+00 3.90 -1.846469825e+00 3.92 -1.856599849e+00 3.94 -1.867043836e+00 3.96 -1.877654570e+00 3.98 -1.888301799e+00 4.00 -1.898870983e+00 4.02 -1.909261955e+00 4.04 -1.919387556e+00 4.06 -1.929172280e+00 4.08 -1.938550975e+00 4.10 -1.947467605e+00 4.12 -1.955874114e+00 4.14 -1.963729376e+00 4.16 -1.970998255e+00 4.18 -1.977650838e+00 4.20 -1.983661628e+00 4.22 -1.989009016e+00 4.24 -1.993674671e+00 4.26 -1.997643183e+00 4.28 -2.000901638e+00 4.30 -2.003439319e+00 4.32 -2.005247221e+00 4.34 -2.006317392e+00 4.36 -2.006642832e+00 4.38 -2.006217445e+00 4.40 -2.005036040e+00 4.42 -2.003094328e+00 4.44 -2.000388965e+00 4.46 -1.996917526e+00 4.48 -1.992678545e+00 4.50 -1.987671523e+00 4.52 -1.981896980e+00 4.54 -1.975356470e+00 4.56 -1.968052598e+00 4.58 -1.959989069e+00 4.60 -1.951170720e+00 4.62 -1.941603536e+00 4.64 -1.931294684e+00 4.66 -1.920252528e+00 4.68 -1.908486659e+00 4.70 -1.896007908e+00 4.72 -1.882828335e+00 4.74 -1.868961225e+00 4.76 -1.854421108e+00 4.78 -1.839223703e+00 4.80 -1.823385882e+00 4.82 -1.806925650e+00 4.84 -1.789862082e+00 4.86 -1.772215213e+00 4.88 -1.754006021e+00 4.90 -1.735256285e+00 4.92 -1.715988495e+00 4.94 -1.696225742e+00 4.96 -1.675991601e+00 4.98 -1.655309968e+00 5.00 -1.634204993e+00 5.02 -1.612700881e+00 5.04 -1.590821814e+00 5.06 -1.568591775e+00 5.08 -1.546034455e+00 5.10 -1.523173147e+00 5.12 -1.500030622e+00 5.14 -1.476629069e+00 5.16 -1.452990013e+00 5.18 -1.429134272e+00 5.20 -1.405081873e+00 5.22 -1.380852117e+00 5.24 -1.356463537e+00 5.26 -1.331933878e+00 5.28 -1.307280230e+00 5.30 -1.282518964e+00 5.32 -1.257665854e+00 5.34 -1.232736187e+00 5.36 -1.207744613e+00 5.38 -1.182705639e+00 5.40 -1.157633183e+00 5.42 -1.132541158e+00 5.44 -1.107443075e+00 5.46 -1.082352584e+00 5.48 -1.057282953e+00 5.50 -1.032247809e+00 5.52 -1.007260603e+00 5.54 -9.823347321e-01 5.56 -9.574839447e-01 5.58 -9.327219688e-01 5.60 -9.080626086e-01 5.62 -8.835197869e-01 5.64 -8.591075291e-01 5.66 -8.348394445e-01 5.68 -8.107300727e-01 5.70 -7.867933411e-01 5.72 -7.630430390e-01 5.74 -7.394929554e-01 5.76 -7.161573525e-01 5.78 -6.930496260e-01 5.80 -6.701828220e-01 5.82 -6.475698581e-01 5.84 -6.252238377e-01 5.86 -6.031581382e-01 5.88 -5.813841170e-01 5.90 -5.599114120e-01 5.92 -5.387553937e-01 5.94 -5.179246595e-01 5.96 -4.974262336e-01 5.98 -4.772751638e-01 6.00 -4.574803388e-01