# 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 = 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 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 nan 1.48 nan 1.50 nan 1.52 nan 1.54 nan 1.56 nan 1.58 nan 1.60 nan 1.62 nan 1.64 nan 1.66 nan 1.68 nan 1.70 nan 1.72 nan 1.74 nan 1.76 nan 1.78 8.147133359e+00 1.80 6.264382203e+00 1.82 4.567346736e+00 1.84 3.043814532e+00 1.86 1.681880110e+00 1.88 4.716149883e-01 1.90 -5.959486556e-01 1.92 -1.530511983e+00 1.94 -2.344460519e+00 1.96 -3.052641690e+00 1.98 -3.668925146e+00 2.00 -4.203107712e+00 2.02 -4.661492237e+00 2.04 -5.049409009e+00 2.06 -5.372873068e+00 2.08 -5.638568462e+00 2.10 -5.852914323e+00 2.12 -6.021678486e+00 2.14 -6.150022587e+00 2.16 -6.242671673e+00 2.18 -6.304417847e+00 2.20 -6.340725009e+00 2.22 -6.357804829e+00 2.24 -6.361652947e+00 2.26 -6.356585525e+00 2.28 -6.344696056e+00 2.30 -6.326509368e+00 2.32 -6.302000329e+00 2.34 -6.271224423e+00 2.36 -6.234462179e+00 2.38 -6.191941215e+00 2.40 -6.143736508e+00 2.42 -6.089815855e+00 2.44 -6.030067047e+00 2.46 -5.964327408e+00 2.48 -5.892383796e+00 2.50 -5.813994079e+00 2.52 -5.728899435e+00 2.54 -5.636851887e+00 2.56 -5.537684093e+00 2.58 -5.431447301e+00 2.60 -5.318597724e+00 2.62 -5.200177694e+00 2.64 -5.077796358e+00 2.66 -4.953302658e+00 2.68 -4.828267970e+00 2.70 -4.703633426e+00 2.72 -4.579711130e+00 2.74 -4.456456249e+00 2.76 -4.333757404e+00 2.78 -4.211600197e+00 2.80 -4.090113834e+00 2.82 -3.969466197e+00 2.84 -3.849757014e+00 2.86 -3.730998806e+00 2.88 -3.613108388e+00 2.90 -3.495897332e+00 2.92 -3.379058486e+00 2.94 -3.262141231e+00 2.96 -3.144511752e+00 2.98 -3.025287113e+00 3.00 -2.903203533e+00 3.02 -2.776359710e+00 3.04 -2.641678116e+00 3.06 -2.493590609e+00 3.08 -2.315592732e+00 3.10 -1.997105016e+00 3.12 -1.749387347e+00 3.14 -1.703509239e+00 3.16 -1.659082401e+00 3.18 -1.616065197e+00 3.20 -1.574436286e+00 3.22 -1.534190874e+00 3.24 -1.495331857e+00 3.26 -1.457867394e+00 3.28 -1.421799157e+00 3.30 -1.387120699e+00 3.32 -1.353811928e+00 3.34 -1.321848087e+00 3.36 -1.291212387e+00 3.38 -1.261930775e+00 3.40 -1.234117803e+00 3.42 -1.208026361e+00 3.44 -1.184077915e+00 3.46 -1.162842615e+00 3.48 -1.144954836e+00 3.50 -1.130980277e+00 3.52 -1.121287887e+00 3.54 -1.115983743e+00 3.56 -1.114925160e+00 3.58 -1.117793402e+00 3.60 -1.124180623e+00 3.62 -1.133663278e+00 3.64 -1.145848987e+00 3.66 -1.160395318e+00 3.68 -1.177008051e+00 3.70 -1.195405686e+00 3.72 -1.215300030e+00 3.74 -1.236399871e+00 3.76 -1.258414882e+00 3.78 -1.281060133e+00 3.80 -1.304057105e+00 3.82 -1.327140444e+00 3.84 -1.350057953e+00 3.86 -1.372571088e+00 3.88 -1.394459987e+00 3.90 -1.415521422e+00 3.92 -1.435570605e+00 3.94 -1.454442166e+00 3.96 -1.471988190e+00 3.98 -1.488079634e+00 4.00 -1.502603958e+00 4.02 -1.515465632e+00 4.04 -1.526585229e+00 4.06 -1.535897548e+00 4.08 -1.543350590e+00 4.10 -1.548905049e+00 4.12 -1.552534204e+00 4.14 -1.554220711e+00 4.16 -1.553957096e+00 4.18 -1.551745191e+00 4.20 -1.714482957e+00 4.22 -1.848184245e+00 4.24 -1.928190952e+00 4.26 -1.963074401e+00 4.28 -1.980887197e+00 4.30 -1.999118841e+00 4.32 -2.016036134e+00 4.34 -2.027491071e+00 4.36 -2.032717219e+00 4.38 -2.033335038e+00 4.40 -2.030749291e+00 4.42 -2.025430793e+00 4.44 -2.017374729e+00 4.46 -2.006635608e+00 4.48 -1.993374785e+00 4.50 -1.977831519e+00 4.52 -1.960224550e+00 4.54 -1.940749202e+00 4.56 -1.919557393e+00 4.58 -1.896792472e+00 4.60 -1.872592867e+00 4.62 -1.847096008e+00 4.64 -1.820437091e+00 4.66 -1.792745691e+00 4.68 -1.764149980e+00 4.70 -1.734772586e+00 4.72 -1.704731826e+00 4.74 -1.674141633e+00 4.76 -1.643110200e+00 4.78 -1.611741745e+00 4.80 -1.580134020e+00 4.82 -1.548381704e+00 4.84 -1.516572648e+00 4.86 -1.484789315e+00 4.88 -1.453107205e+00 4.90 -1.421594235e+00 4.92 -1.390313446e+00 4.94 -1.359319648e+00 4.96 -1.328664525e+00 4.98 -1.298395820e+00 5.00 -1.268558493e+00 5.02 -1.239190095e+00 5.04 -1.210320859e+00 5.06 -1.181973823e+00 5.08 -1.154163549e+00 5.10 -1.126892079e+00 5.12 -1.100159317e+00 5.14 -1.073961031e+00 5.16 -1.048294120e+00 5.18 -1.023147189e+00 5.20 -9.985122938e-01 5.22 -9.743955693e-01 5.24 -9.508000084e-01 5.26 -9.277236433e-01 5.28 -9.051650519e-01 5.30 -8.831124279e-01 5.32 -8.615362421e-01 5.34 -8.404080580e-01 5.36 -8.196989804e-01 5.38 -7.993723110e-01 5.40 -7.794151227e-01 5.42 -7.598381155e-01 5.44 -7.406653273e-01 5.46 -7.219285468e-01 5.48 -7.036643084e-01 5.50 -6.858235314e-01 5.52 -6.682993430e-01 5.54 -6.508976719e-01 5.56 -6.334525222e-01 5.58 -6.158484717e-01 5.60 -5.980070159e-01 5.62 -5.800548810e-01 5.64 -5.624194700e-01 5.66 -5.454360868e-01 5.68 -5.294137336e-01 5.70 -5.145815259e-01 5.72 -5.013225631e-01 5.74 -4.892116565e-01 5.76 -4.775339565e-01 5.78 -4.657270216e-01 5.80 -4.530872322e-01 5.82 -4.392053094e-01 5.84 -4.238168561e-01 5.86 -4.066696760e-01 5.88 -3.878849053e-01 5.90 -3.677911063e-01 5.92 -3.466866967e-01 5.94 -3.248750340e-01 5.96 -3.028288054e-01 5.98 -2.810342774e-01 6.00 -2.598627375e-01