# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Bi # implementation = 2026--Park-J-H--Fe-Cu-Bi--LAMMPS--ipr1 # composition = BiCu2 # 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 2026-06-16 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 4.949061002e+02 0.80 4.657077730e+02 0.82 4.381268603e+02 0.84 4.120780312e+02 0.86 3.874802754e+02 0.88 3.642566917e+02 0.90 3.423342858e+02 0.92 3.216437789e+02 0.94 3.021194240e+02 0.96 2.836988325e+02 0.98 2.663228084e+02 1.00 2.499351906e+02 1.02 2.344827028e+02 1.04 2.199148109e+02 1.06 2.061835873e+02 1.08 1.932435810e+02 1.10 1.810516953e+02 1.12 1.695670705e+02 1.14 1.587509722e+02 1.16 1.485666857e+02 1.18 1.389794150e+02 1.20 1.299561866e+02 1.22 1.214657587e+02 1.24 1.134785336e+02 1.26 1.059664757e+02 1.28 9.890303227e+01 1.30 9.226305894e+01 1.32 8.602274828e+01 1.34 8.015956205e+01 1.36 7.465216685e+01 1.38 6.948037261e+01 1.40 6.462507441e+01 1.42 6.006819687e+01 1.44 5.579264143e+01 1.46 5.178223612e+01 1.48 4.802168784e+01 1.50 4.449653696e+01 1.52 4.119311418e+01 1.54 3.809849949e+01 1.56 3.520048316e+01 1.58 3.248752871e+01 1.60 2.994873764e+01 1.62 2.757381597e+01 1.64 2.535304248e+01 1.66 2.327723841e+01 1.68 2.133773886e+01 1.70 1.952636545e+01 1.72 1.783540047e+01 1.74 1.625756234e+01 1.76 1.478598221e+01 1.78 1.341418188e+01 1.80 1.213605274e+01 1.82 1.094583583e+01 1.84 9.838102960e+00 1.86 8.807738702e+00 1.88 7.849923400e+00 1.90 6.960117015e+00 1.92 6.134043809e+00 1.94 5.367677839e+00 1.96 4.657241988e+00 1.98 4.000096528e+00 2.00 3.393997712e+00 2.02 2.830697685e+00 2.04 2.310261406e+00 2.06 1.829896693e+00 2.08 1.386978240e+00 2.10 9.790406482e-01 2.12 6.037660224e-01 2.14 2.589769279e-01 2.16 -5.737108497e-02 2.18 -3.471974141e-01 2.20 -6.123035521e-01 2.22 -8.543798602e-01 2.24 -1.075011960e+00 2.26 -1.275686791e+00 2.28 -1.457798327e+00 2.30 -1.622652990e+00 2.32 -1.771474755e+00 2.34 -1.905409985e+00 2.36 -2.025531994e+00 2.38 -2.132845355e+00 2.40 -2.228289976e+00 2.42 -2.312744940e+00 2.44 -2.387032140e+00 2.46 -2.451919701e+00 2.48 -2.508125217e+00 2.50 -2.556318798e+00 2.52 -2.597125958e+00 2.54 -2.631130319e+00 2.56 -2.658876181e+00 2.58 -2.680870932e+00 2.60 -2.697587325e+00 2.62 -2.709465626e+00 2.64 -2.716915631e+00 2.66 -2.720318576e+00 2.68 -2.720028925e+00 2.70 -2.716376065e+00 2.72 -2.709665894e+00 2.74 -2.700182318e+00 2.76 -2.688188661e+00 2.78 -2.673928991e+00 2.80 -2.657629365e+00 2.82 -2.639499004e+00 2.84 -2.619731395e+00 2.86 -2.598505327e+00 2.88 -2.575985866e+00 2.90 -2.552325268e+00 2.92 -2.527663841e+00 2.94 -2.502130749e+00 2.96 -2.475844771e+00 2.98 -2.448915012e+00 3.00 -2.421441571e+00 3.02 -2.393516161e+00 3.04 -2.365222704e+00 3.06 -2.336637872e+00 3.08 -2.307831608e+00 3.10 -2.278867603e+00 3.12 -2.249803753e+00 3.14 -2.220692579e+00 3.16 -2.191581620e+00 3.18 -2.162513807e+00 3.20 -2.133527807e+00 3.22 -2.104658346e+00 3.24 -2.075936509e+00 3.26 -2.047390026e+00 3.28 -2.019043531e+00 3.30 -1.990918808e+00 3.32 -1.963035023e+00 3.34 -1.935408932e+00 3.36 -1.908055083e+00 3.38 -1.880985819e+00 3.40 -1.853039804e+00 3.42 -1.813232029e+00 3.44 -1.739740101e+00 3.46 -1.643427092e+00 3.48 -1.615085403e+00 3.50 -1.591714998e+00 3.52 -1.568673375e+00 3.54 -1.545961826e+00 3.56 -1.523580757e+00 3.58 -1.501529776e+00 3.60 -1.479807779e+00 3.62 -1.458413023e+00 3.64 -1.437343197e+00 3.66 -1.416595490e+00 3.68 -1.396166647e+00 3.70 -1.376053026e+00 3.72 -1.356250652e+00 3.74 -1.336755258e+00 3.76 -1.317562334e+00 3.78 -1.298667162e+00 3.80 -1.280064857e+00 3.82 -1.261750393e+00 3.84 -1.243718640e+00 3.86 -1.225964390e+00 3.88 -1.208482376e+00 3.90 -1.191267303e+00 3.92 -1.172022828e+00 3.94 -1.121172481e+00 3.96 -9.566477294e-01 3.98 -5.493578732e-01 4.00 -3.184694214e-22 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 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