# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr2 # composition = Co2Cu # 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 -4.741631387e+02 0.92 -4.423360950e+02 0.94 -4.120910901e+02 0.96 -3.827371162e+02 0.98 -3.558478879e+02 1.00 -3.321956260e+02 1.02 -3.110931932e+02 1.04 -2.914051895e+02 1.06 -2.726600694e+02 1.08 -2.551077493e+02 1.10 -2.383955463e+02 1.12 -2.219329957e+02 1.14 -2.059681018e+02 1.16 -1.911009061e+02 1.18 -1.779366372e+02 1.20 -1.669423272e+02 1.22 -1.578350468e+02 1.24 -1.496083586e+02 1.26 -1.415597668e+02 1.28 -1.337072027e+02 1.30 -1.261745469e+02 1.32 -1.188172448e+02 1.34 -1.113938932e+02 1.36 -1.040025264e+02 1.38 -9.700829083e+01 1.40 -9.060317415e+01 1.42 -8.461603882e+01 1.44 -7.878567791e+01 1.46 -7.291594936e+01 1.48 -6.695380968e+01 1.50 -6.098042818e+01 1.52 -5.514301971e+01 1.54 -4.955842943e+01 1.56 -4.418016236e+01 1.58 -3.878562353e+01 1.60 -3.312119477e+01 1.62 -2.713768519e+01 1.64 -2.103748027e+01 1.66 -1.508940012e+01 1.68 -9.552928043e+00 1.70 -5.485506865e+00 1.72 -2.809263681e+00 1.74 -1.150480807e+00 1.76 -1.908619205e-01 1.78 3.235654379e-01 1.80 5.682836317e-01 1.82 6.509093686e-01 1.84 6.330940453e-01 1.86 5.469082058e-01 1.88 4.188068815e-01 1.90 2.541546298e-01 1.92 3.638494480e-02 1.94 -2.291868884e-01 1.96 -5.175182827e-01 1.98 -8.082137755e-01 2.00 -1.087762792e+00 2.02 -1.349321111e+00 2.04 -1.590900707e+00 2.06 -1.813844529e+00 2.08 -2.020692630e+00 2.10 -2.214124154e+00 2.12 -2.396319356e+00 2.14 -2.567845249e+00 2.16 -2.727421544e+00 2.18 -2.872429909e+00 2.20 -2.999329512e+00 2.22 -3.105906987e+00 2.24 -3.192852002e+00 2.26 -3.262014826e+00 2.28 -3.315335914e+00 2.30 -3.354635187e+00 2.32 -3.381666885e+00 2.34 -3.398100143e+00 2.36 -3.405492640e+00 2.38 -3.405124896e+00 2.40 -3.397870717e+00 2.42 -3.384480511e+00 2.44 -3.365745492e+00 2.46 -3.342481091e+00 2.48 -3.315586233e+00 2.50 -3.285998102e+00 2.52 -3.254148548e+00 2.54 -3.220106342e+00 2.56 -3.183950488e+00 2.58 -3.145837316e+00 2.60 -3.106184709e+00 2.62 -3.065497040e+00 2.64 -3.024306161e+00 2.66 -2.983121110e+00 2.68 -2.942261369e+00 2.70 -2.901941111e+00 2.72 -2.862234338e+00 2.74 -2.822956887e+00 2.76 -2.783759938e+00 2.78 -2.744083135e+00 2.80 -2.703183051e+00 2.82 -2.660151250e+00 2.84 -2.614031187e+00 2.86 -2.564066382e+00 2.88 -2.509875877e+00 2.90 -2.451509125e+00 2.92 -2.389347357e+00 2.94 -2.323954241e+00 2.96 -2.256021522e+00 2.98 -2.186040521e+00 3.00 -2.114436126e+00 3.02 -2.041640687e+00 3.04 -1.968107052e+00 3.06 -1.894485191e+00 3.08 -1.821655437e+00 3.10 -1.750547138e+00 3.12 -1.682185838e+00 3.14 -1.617643131e+00 3.16 -1.557945636e+00 3.18 -1.503960982e+00 3.20 -1.456149217e+00 3.22 -1.414383783e+00 3.24 -1.378061026e+00 3.26 -1.346194906e+00 3.28 -1.317505477e+00 3.30 -1.290572244e+00 3.32 -1.264036381e+00 3.34 -1.236810876e+00 3.36 -1.208270488e+00 3.38 -1.178316622e+00 3.40 -1.147299005e+00 3.42 -1.115873922e+00 3.44 -1.084814867e+00 3.46 -1.054840436e+00 3.48 -1.026494698e+00 3.50 -1.000090417e+00 3.52 -9.757079977e-01 3.54 -9.532332550e-01 3.56 -9.324176129e-01 3.58 -9.130105105e-01 3.60 -8.948545740e-01 3.62 -8.777975863e-01 3.64 -8.616882939e-01 3.66 -8.464032724e-01 3.68 -8.318263657e-01 3.70 -8.178384697e-01 3.72 -8.043174505e-01 3.74 -7.911385941e-01 3.76 -7.781743310e-01 3.78 -7.652941616e-01 3.80 -7.523642303e-01 3.82 -7.392467784e-01 3.84 -7.257995695e-01 3.86 -7.118843878e-01 3.88 -6.974383931e-01 3.90 -6.824378006e-01 3.92 -6.668573523e-01 3.94 -6.506781317e-01 3.96 -6.338952401e-01 3.98 -6.165060046e-01 4.00 -5.985090625e-01 4.02 -5.799048836e-01 4.04 -5.606962030e-01 4.06 -5.408885302e-01 4.08 -5.204906636e-01 4.10 -4.995150078e-01 4.12 -4.779781194e-01 4.14 -4.558950655e-01 4.16 -4.332765140e-01 4.18 -4.101376126e-01 4.20 -3.865029154e-01 4.22 -3.624244933e-01 4.24 -3.379676020e-01 4.26 -3.132039443e-01 4.28 -2.882114596e-01 4.30 -2.630744812e-01 4.32 -2.378834061e-01 4.34 -2.127344616e-01 4.36 -1.877289568e-01 4.38 -1.629726029e-01 4.40 -1.385741461e-01 4.42 -1.146764479e-01 4.44 -9.224756554e-02 4.46 -7.266813663e-02 4.48 -5.677158631e-02 4.50 -4.487053595e-02 4.52 -3.684070815e-02 4.54 -3.225567746e-02 4.56 -3.057351127e-02 4.58 -3.126295631e-02 4.60 -3.388917670e-02 4.62 -3.817138866e-02 4.64 -4.401055319e-02 4.66 -5.148732135e-02 4.68 -6.083233820e-02 4.70 -7.237308789e-02 4.72 -8.646190413e-02 4.74 -1.033932274e-01 4.76 -1.233179403e-01 4.78 -1.461609033e-01 4.80 -1.715737921e-01 4.82 -1.989248484e-01 4.84 -2.273147037e-01 4.86 -2.556328032e-01 4.88 -2.826452731e-01 4.90 -3.070943796e-01 4.92 -3.277976460e-01 4.94 -3.437303050e-01 4.96 -3.540933347e-01 4.98 -3.583701255e-01 5.00 -3.563055958e-01 5.02 -3.478897285e-01 5.04 -3.333278446e-01 5.06 -3.128934116e-01 5.08 -2.869908690e-01 5.10 -2.562493027e-01 5.12 -2.215246554e-01 5.14 -1.838878027e-01 5.16 -1.445971864e-01 5.18 -1.050534927e-01 5.20 -6.673291580e-02 5.22 -3.111698959e-02 5.24 3.730915527e-04 5.26 2.658298059e-02 5.28 4.675253238e-02 5.30 6.057615972e-02 5.32 6.821974690e-02 5.34 7.028406724e-02 5.36 6.771628607e-02 5.38 6.168054701e-02 5.40 5.340952826e-02 5.42 4.406321181e-02 5.44 3.461944018e-02 5.46 2.581099294e-02 5.48 1.811137540e-02 5.50 1.175926159e-02 5.52 6.805841573e-03 5.54 3.170654330e-03 5.56 6.932373136e-04 5.58 -8.288189961e-04 5.60 -1.610221026e-03 5.62 -1.857174617e-03 5.64 -1.753820185e-03 5.66 -1.454021901e-03 5.68 -1.077814563e-03 5.70 -7.109461030e-04 5.72 -4.069692473e-04 5.74 -1.909651826e-04 5.76 -6.444301987e-05 5.78 -1.057185982e-05 5.80 -5.197625814e-08 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