# 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_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 # composition = AlPd2 # 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 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 nan 1.46 -3.434594383e+02 1.48 -2.993488536e+02 1.50 -2.590247011e+02 1.52 -2.223306795e+02 1.54 -1.891123266e+02 1.56 -1.592121611e+02 1.58 -1.324663435e+02 1.60 -1.087059296e+02 1.62 -8.776193729e+01 1.64 -6.946652278e+01 1.66 -5.365067186e+01 1.68 -4.014331162e+01 1.70 -2.877169426e+01 1.72 -1.936227216e+01 1.74 -1.174255186e+01 1.76 -5.741480069e+00 1.78 -1.187936159e+00 1.80 2.089715131e+00 1.82 4.262270164e+00 1.84 5.499756601e+00 1.86 5.974026845e+00 1.88 5.859384185e+00 1.90 5.329721956e+00 1.92 4.555957848e+00 1.94 3.680112391e+00 1.96 2.768890401e+00 1.98 1.888258639e+00 2.00 1.094305418e+00 2.02 3.824490762e-01 2.04 -2.599431976e-01 2.06 -8.440128662e-01 2.08 -1.377843790e+00 2.10 -1.866922284e+00 2.12 -2.314989914e+00 2.14 -2.724856210e+00 2.16 -3.098670808e+00 2.18 -3.438052452e+00 2.20 -3.744333033e+00 2.22 -4.018913393e+00 2.24 -4.263253692e+00 2.26 -4.478673264e+00 2.28 -4.666407886e+00 2.30 -4.828155324e+00 2.32 -4.966761238e+00 2.34 -5.086465454e+00 2.36 -5.191907122e+00 2.38 -5.286356910e+00 2.40 -5.370429251e+00 2.42 -5.442506925e+00 2.44 -5.500118445e+00 2.46 -5.541118103e+00 2.48 -5.564238976e+00 2.50 -5.569295308e+00 2.52 -5.557111762e+00 2.54 -5.529823522e+00 2.56 -5.490970618e+00 2.58 -5.444827215e+00 2.60 -5.394984549e+00 2.62 -5.343193503e+00 2.64 -5.289322040e+00 2.66 -5.232246520e+00 2.68 -5.170786308e+00 2.70 -5.104223400e+00 2.72 -5.032413366e+00 2.74 -4.955624015e+00 2.76 -4.874199805e+00 2.78 -4.788508581e+00 2.80 -4.699031132e+00 2.82 -4.606467496e+00 2.84 -4.511834923e+00 2.86 -4.416455424e+00 2.88 -4.321793464e+00 2.90 -4.229138779e+00 2.92 -4.139316720e+00 2.94 -4.052596320e+00 2.96 -3.968831680e+00 2.98 -3.887704857e+00 3.00 -3.808916866e+00 3.02 -3.732287850e+00 3.04 -3.657764204e+00 3.06 -3.585372305e+00 3.08 -3.515123498e+00 3.10 -3.446982300e+00 3.12 -3.380864414e+00 3.14 -3.316644312e+00 3.16 -3.254156333e+00 3.18 -3.193216319e+00 3.20 -3.133659106e+00 3.22 -3.075395274e+00 3.24 -3.018491157e+00 3.26 -2.963240581e+00 3.28 -2.910199614e+00 3.30 -2.860164979e+00 3.32 -2.813995542e+00 3.34 -2.772264535e+00 3.36 -2.734871138e+00 3.38 -2.701287685e+00 3.40 -2.671265200e+00 3.42 -2.644193889e+00 3.44 -2.617591942e+00 3.46 -2.590623730e+00 3.48 -2.568159620e+00 3.50 -2.554291250e+00 3.52 -2.548147054e+00 3.54 -2.546446855e+00 3.56 -2.548392503e+00 3.58 -2.554084818e+00 3.60 -2.563277323e+00 3.62 -2.575209467e+00 3.64 -2.589002603e+00 3.66 -2.603863626e+00 3.68 -2.619127587e+00 3.70 -2.634159799e+00 3.72 -2.648398911e+00 3.74 -2.661386405e+00 3.76 -2.672789940e+00 3.78 -2.682344718e+00 3.80 -2.689805536e+00 3.82 -2.695038821e+00 3.84 -2.697964093e+00 3.86 -2.698267225e+00 3.88 -2.695439635e+00 3.90 -2.689056230e+00 3.92 -2.678842678e+00 3.94 -2.664553639e+00 3.96 -2.646140441e+00 3.98 -2.623778648e+00 4.00 -2.597898317e+00 4.02 -2.569248155e+00 4.04 -2.538886886e+00 4.06 -2.507981881e+00 4.08 -2.477613118e+00 4.10 -2.448605218e+00 4.12 -2.421420285e+00 4.14 -2.396115832e+00 4.16 -2.372411716e+00 4.18 -2.349823811e+00 4.20 -2.327802399e+00 4.22 -2.305836264e+00 4.24 -2.283519692e+00 4.26 -2.260579585e+00 4.28 -2.236875225e+00 4.30 -2.212378802e+00 4.32 -2.187133385e+00 4.34 -2.161192968e+00 4.36 -2.134611304e+00 4.38 -2.107441268e+00 4.40 -2.079737468e+00 4.42 -2.051554492e+00 4.44 -2.022946270e+00 4.46 -1.993965086e+00 4.48 -1.964664982e+00 4.50 -1.935097974e+00 4.52 -1.905312174e+00 4.54 -1.875353885e+00 4.56 -1.845266498e+00 4.58 -1.815090295e+00 4.60 -1.784857379e+00 4.62 -1.754585107e+00 4.64 -1.724292778e+00 4.66 -1.694001658e+00 4.68 -1.663709646e+00 4.70 -1.633405566e+00 4.72 -1.603115799e+00 4.74 -1.572927706e+00 4.76 -1.542940112e+00 4.78 -1.513241724e+00 4.80 -1.483943061e+00 4.82 -1.455172922e+00 4.84 -1.427000267e+00 4.86 -1.399558786e+00 4.88 -1.373069755e+00 4.90 -1.347629383e+00 4.92 -1.323028144e+00 4.94 -1.299010004e+00 4.96 -1.275370556e+00 4.98 -1.251817751e+00 5.00 -1.227991412e+00 5.02 -1.203629274e+00 5.04 -1.178541065e+00 5.06 -1.152474130e+00 5.08 -1.125252213e+00 5.10 -1.096945260e+00 5.12 -1.067674904e+00 5.14 -1.037560363e+00 5.16 -1.006724955e+00 5.18 -9.754225063e-01 5.20 -9.440094314e-01 5.22 -9.127933127e-01 5.24 -8.820234453e-01 5.26 -8.517916859e-01 5.28 -8.222591423e-01 5.30 -7.935871374e-01 5.32 -7.658763861e-01 5.34 -7.391782115e-01 5.36 -7.134994910e-01 5.38 -6.886980577e-01 5.40 -6.646599000e-01 5.42 -6.413594564e-01 5.44 -6.187398129e-01 5.46 -5.966999872e-01 5.48 -5.751134820e-01 5.50 -5.538342924e-01 5.52 -5.327046385e-01 5.54 -5.115714124e-01 5.56 -4.903239393e-01 5.58 -4.688682168e-01 5.60 -4.471512539e-01 5.62 -4.251770005e-01 5.64 -4.030221685e-01 5.66 -3.808971177e-01 5.68 -3.591462851e-01 5.70 -3.381896944e-01 5.72 -3.184877949e-01 5.74 -3.004424315e-01 5.76 -2.844662977e-01 5.78 -2.709065350e-01 5.80 -2.599723547e-01 5.82 -2.517214644e-01 5.84 -2.460727636e-01 5.86 -2.428555532e-01 5.88 -2.418011379e-01 5.90 -2.425982194e-01 5.92 -2.449032774e-01 5.94 -2.483714433e-01 5.96 -2.526778913e-01 5.98 -2.575333248e-01 6.00 -2.626907101e-01