# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Al-Mn # implementation = 2025--Sharifi-H--Co-Al-Mn--LAMMPS--ipr1 # composition = Co2Mn # 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 2025-07-01 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 1.129728840e+03 0.92 1.038064359e+03 0.94 9.521335192e+02 0.96 8.719143103e+02 0.98 7.961224712e+02 1.00 7.221235450e+02 1.02 6.511744969e+02 1.04 5.842446241e+02 1.06 5.219190919e+02 1.08 4.644931861e+02 1.10 4.120473898e+02 1.12 3.645066965e+02 1.14 3.216871173e+02 1.16 2.833318418e+02 1.18 2.491389989e+02 1.20 2.187827042e+02 1.22 1.919287435e+02 1.24 1.682459934e+02 1.26 1.474144954e+02 1.28 1.291309037e+02 1.30 1.131119334e+02 1.32 9.909628516e+01 1.34 8.684542018e+01 1.36 7.614349465e+01 1.38 6.679668998e+01 1.40 5.863213352e+01 1.42 5.149655486e+01 1.44 4.525478742e+01 1.46 3.978820432e+01 1.48 3.499314720e+01 1.50 3.077939373e+01 1.52 2.706869678e+01 1.54 2.379341243e+01 1.56 2.089523110e+01 1.58 1.832401737e+01 1.60 1.603675844e+01 1.62 1.399662073e+01 1.64 1.217210910e+01 1.66 1.053632261e+01 1.68 9.066300459e+00 1.70 7.742449814e+00 1.72 6.548048224e+00 1.74 5.468813076e+00 1.76 4.492529163e+00 1.78 3.608689213e+00 1.80 2.808150506e+00 1.82 2.082913526e+00 1.84 1.425952169e+00 1.86 8.310693910e-01 1.88 2.927756818e-01 1.90 -1.938130295e-01 1.92 -6.330608544e-01 1.94 -1.028883468e+00 1.96 -1.384819266e+00 1.98 -1.704111551e+00 2.00 -1.989748303e+00 2.02 -2.244482897e+00 2.04 -2.470852771e+00 2.06 -2.671196605e+00 2.08 -2.847670097e+00 2.10 -3.002260390e+00 2.12 -3.136799381e+00 2.14 -3.252975915e+00 2.16 -3.352346982e+00 2.18 -3.436347801e+00 2.20 -3.506299565e+00 2.22 -3.563419615e+00 2.24 -3.608830592e+00 2.26 -3.643567719e+00 2.28 -3.668585514e+00 2.30 -3.684763987e+00 2.32 -3.692914317e+00 2.34 -3.693784119e+00 2.36 -3.688062284e+00 2.38 -3.676383438e+00 2.40 -3.659332074e+00 2.42 -3.637445944e+00 2.44 -3.611194968e+00 2.46 -3.580980951e+00 2.48 -3.547493198e+00 2.50 -3.511328594e+00 2.52 -3.471192258e+00 2.54 -3.428434919e+00 2.56 -3.383340254e+00 2.58 -3.336173369e+00 2.60 -3.287181775e+00 2.62 -3.236596329e+00 2.64 -3.184632128e+00 2.66 -3.131489368e+00 2.68 -3.077354160e+00 2.70 -3.022399315e+00 2.72 -2.966785090e+00 2.74 -2.910659905e+00 2.76 -2.854161016e+00 2.78 -2.797415170e+00 2.80 -2.740539220e+00 2.82 -2.683640714e+00 2.84 -2.626818454e+00 2.86 -2.570163032e+00 2.88 -2.513757331e+00 2.90 -2.457677011e+00 2.92 -2.401990964e+00 2.94 -2.346761749e+00 2.96 -2.292046001e+00 2.98 -2.237894823e+00 3.00 -2.184354156e+00 3.02 -2.131484251e+00 3.04 -2.079532370e+00 3.06 -2.028528682e+00 3.08 -1.977716302e+00 3.10 -1.927671048e+00 3.12 -1.878424437e+00 3.14 -1.829994868e+00 3.16 -1.782397874e+00 3.18 -1.735646339e+00 3.20 -1.689750694e+00 3.22 -1.644719098e+00 3.24 -1.600557610e+00 3.26 -1.557270348e+00 3.28 -1.514859643e+00 3.30 -1.473326173e+00 3.32 -1.432669102e+00 3.34 -1.392886197e+00 3.36 -1.353973954e+00 3.38 -1.315927700e+00 3.40 -1.278741705e+00 3.42 -1.242409277e+00 3.44 -1.206922854e+00 3.46 -1.172274092e+00 3.48 -1.138453947e+00 3.50 -1.105452748e+00 3.52 -1.073260271e+00 3.54 -1.041865800e+00 3.56 -1.011258188e+00 3.58 -9.814259114e-01 3.60 -9.523571228e-01 3.62 -9.240396934e-01 3.64 -8.964612570e-01 3.66 -8.696092480e-01 3.68 -8.434709364e-01 3.70 -8.180334604e-01 3.72 -7.932838562e-01 3.74 -7.692090852e-01 3.76 -7.457960610e-01 3.78 -7.230316726e-01 3.80 -7.009028090e-01 3.82 -6.793963805e-01 3.84 -6.584993413e-01 3.86 -6.381987101e-01 3.88 -6.184815909e-01 3.90 -5.993351926e-01 3.92 -5.807468481e-01 3.94 -5.627040321e-01 3.96 -5.451943785e-01 3.98 -5.282056948e-01 4.00 -5.117259756e-01 4.02 -4.957434138e-01 4.04 -4.802464092e-01 4.06 -4.652235742e-01 4.08 -4.506637372e-01 4.10 -4.365559424e-01 4.12 -4.228894476e-01 4.14 -4.096537178e-01 4.16 -3.968384179e-01 4.18 -3.844334011e-01 4.20 -3.724286967e-01 4.22 -3.608144955e-01 4.24 -3.495811339e-01 4.26 -3.385014747e-01 4.28 -3.230501536e-01 4.30 -2.866562954e-01 4.32 -2.106804553e-01 4.34 -2.124413370e-01 4.36 -2.054284954e-01 4.38 -1.986358493e-01 4.40 -1.920581787e-01 4.42 -1.856901755e-01 4.44 -1.795264515e-01 4.46 -1.735615503e-01 4.48 -1.677899616e-01 4.50 -1.622061387e-01 4.52 -1.568045179e-01 4.54 -1.515795393e-01 4.56 -1.465256696e-01 4.58 -1.416374242e-01 4.60 -1.369093900e-01 4.62 -1.323362459e-01 4.64 -1.279127835e-01 4.66 -1.236339235e-01 4.68 -1.194947316e-01 4.70 -1.154904299e-01 4.72 -1.116164060e-01 4.74 -1.078682194e-01 4.76 -1.042416038e-01 4.78 -1.007324679e-01 4.80 -9.733689238e-02 4.82 -9.405112606e-02 4.84 -9.087157911e-02 4.86 -8.779481554e-02 4.88 -8.481754460e-02 4.90 -8.193661157e-02 4.92 -7.893565418e-02 4.94 -7.318388225e-02 4.96 -5.842000974e-02 4.98 -2.906901737e-02 5.00 -2.061310903e-23 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00