# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = Cr2MnNi # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 3.145726167e+04 3.145726167e+04 1.12 2.529956080e+04 2.529956080e+04 1.14 2.042209675e+04 2.042209675e+04 1.16 1.654321837e+04 1.654321837e+04 1.18 1.344657411e+04 1.344657411e+04 1.20 1.096521884e+04 1.096521884e+04 1.22 8.969768070e+03 8.969768070e+03 1.24 7.359522715e+03 7.359522715e+03 1.26 6.055789398e+03 6.055789398e+03 1.28 4.996828262e+03 4.996828262e+03 1.30 4.134013994e+03 4.134013994e+03 1.32 3.428909316e+03 3.428909316e+03 1.34 2.851021750e+03 2.851021750e+03 1.36 2.376076602e+03 2.376076602e+03 1.38 1.984684555e+03 1.984684555e+03 1.40 1.661308394e+03 1.661308394e+03 1.42 1.393457821e+03 1.393457821e+03 1.44 1.171060960e+03 1.171060960e+03 1.46 9.859725557e+02 9.859725557e+02 1.48 8.315866365e+02 8.315866365e+02 1.50 7.025309586e+02 7.025309586e+02 1.52 5.944242812e+02 5.944242812e+02 1.54 5.036841609e+02 5.036841609e+02 1.56 4.273737137e+02 4.273737137e+02 1.58 3.630791808e+02 3.630791808e+02 1.60 3.088123233e+02 3.088123233e+02 1.62 2.629313263e+02 2.629313263e+02 1.64 2.240768181e+02 2.240768181e+02 1.66 1.911210718e+02 1.911210718e+02 1.68 1.631266037e+02 1.631266037e+02 1.70 1.393124694e+02 1.393124694e+02 1.72 1.190269096e+02 1.190269096e+02 1.74 1.017249995e+02 1.017249995e+02 1.76 8.695014311e+01 8.695014311e+01 1.78 7.431884096e+01 7.431884096e+01 1.80 6.350853334e+01 6.350853334e+01 1.82 5.424753927e+01 5.424753927e+01 1.84 4.630653620e+01 4.630653620e+01 1.86 3.949169739e+01 3.949169739e+01 1.88 3.363901868e+01 3.363901868e+01 1.90 2.860955720e+01 2.860955720e+01 1.92 2.428546812e+01 2.428546812e+01 1.94 2.056651295e+01 2.056651295e+01 1.96 1.736714722e+01 1.736714722e+01 1.98 1.461417748e+01 1.461417748e+01 2.00 1.224506434e+01 1.224506434e+01 2.02 1.020635076e+01 1.020635076e+01 2.04 8.452300731e+00 8.452300731e+00 2.06 6.943643648e+00 6.943643648e+00 2.08 5.646683079e+00 5.646683079e+00 2.10 4.532479695e+00 4.532479695e+00 2.12 3.576138280e+00 3.576138280e+00 2.14 2.756229135e+00 2.756229135e+00 2.16 2.054298888e+00 2.054298888e+00 2.18 1.454456216e+00 1.454456216e+00 2.20 9.430207051e-01 9.430207051e-01 2.22 5.081844854e-01 5.081844854e-01 2.24 1.396204143e-01 1.396204143e-01 2.26 -1.716374989e-01 -1.716374989e-01 2.28 -4.333457258e-01 -4.333457258e-01 2.30 -6.522171443e-01 -6.522171443e-01 2.32 -8.340566275e-01 -8.340566275e-01 2.34 -9.838772756e-01 -9.838772756e-01 2.36 -1.106054898e+00 -1.106054898e+00 2.38 -1.204460728e+00 -1.204460728e+00 2.40 -1.282467331e+00 -1.282467331e+00 2.42 -1.343004781e+00 -1.343004781e+00 2.44 -1.388614853e+00 -1.388614853e+00 2.46 -1.421497433e+00 -1.421497433e+00 2.48 -1.443550243e+00 -1.443550243e+00 2.50 -1.456402822e+00 -1.456402822e+00 2.52 -1.461445563e+00 -1.461445563e+00 2.54 -1.459854493e+00 -1.459854493e+00 2.56 -1.452612508e+00 -1.452612508e+00 2.58 -1.440559579e+00 -1.440559579e+00 2.60 -1.424455375e+00 -1.424455375e+00 2.62 -1.404937946e+00 -1.404937946e+00 2.64 -1.382545791e+00 -1.382545791e+00 2.66 -1.357791920e+00 -1.357791920e+00 2.68 -1.331141169e+00 -1.331141169e+00 2.70 -1.302995173e+00 -1.302995173e+00 2.72 -1.273685472e+00 -1.273685472e+00 2.74 -1.243484333e+00 -1.243484333e+00 2.76 -1.212626050e+00 -1.212626050e+00 2.78 -1.181312230e+00 -1.181312230e+00 2.80 -1.149715796e+00 -1.149715796e+00 2.82 -1.117984419e+00 -1.117984419e+00 2.84 -1.086243427e+00 -1.086243427e+00 2.86 -1.054598283e+00 -1.054598283e+00 2.88 -1.023141297e+00 -1.023141297e+00 2.90 -9.919636091e-01 -9.919636091e-01 2.92 -9.611475758e-01 -9.611475758e-01 2.94 -9.307658974e-01 -9.307658974e-01 2.96 -9.008827842e-01 -9.008827842e-01 2.98 -8.715549206e-01 -8.715549206e-01 3.00 -8.428322528e-01 -8.428322528e-01 3.02 -8.147586240e-01 -8.147586240e-01 3.04 -7.873722732e-01 -7.873722732e-01 3.06 -7.607062159e-01 -7.607062159e-01 3.08 -7.347885200e-01 -7.347885200e-01 3.10 -7.096424911e-01 -7.096424911e-01 3.12 -6.852867756e-01 -6.852867756e-01 3.14 -6.617353949e-01 -6.617353949e-01 3.16 -6.389976630e-01 -6.389976630e-01 3.18 -6.170746542e-01 -6.170746542e-01 3.20 -5.959575675e-01 -5.959575675e-01 3.22 -5.756333730e-01 -5.756333730e-01 3.24 -5.560851012e-01 -5.560851012e-01 3.26 -5.372915341e-01 -5.372915341e-01 3.28 -5.192268646e-01 -5.192268646e-01 3.30 -5.018603316e-01 -5.018603316e-01 3.32 -4.851587914e-01 -4.851587914e-01 3.34 -4.690960497e-01 -4.690960497e-01 3.36 -4.536451279e-01 -4.536451279e-01 3.38 -4.387752072e-01 -4.387752072e-01 3.40 -4.244513113e-01 -4.244513113e-01 3.42 -4.106339756e-01 -4.106339756e-01 3.44 -3.972789070e-01 -3.972789070e-01 3.46 -3.843388700e-01 -3.843388700e-01 3.48 -3.717886611e-01 -3.717886611e-01 3.50 -3.596196352e-01 -3.596196352e-01 3.52 -3.478240007e-01 -3.478240007e-01 3.54 -3.363944907e-01 -3.363944907e-01 3.56 -3.253243111e-01 -3.253243111e-01 3.58 -3.146070862e-01 -3.146070862e-01 3.60 -3.042367990e-01 -3.042367990e-01 3.62 -2.942077288e-01 -2.942077288e-01 3.64 -2.845143868e-01 -2.845143868e-01 3.66 -2.751514477e-01 -2.751514477e-01 3.68 -2.661136803e-01 -2.661136803e-01 3.70 -2.573958760e-01 -2.573958760e-01 3.72 -2.489927758e-01 -2.489927758e-01 3.74 -2.408989954e-01 -2.408989954e-01 3.76 -2.331089498e-01 -2.331089498e-01 3.78 -2.256167767e-01 -2.256167767e-01 3.80 -2.184162587e-01 -2.184162587e-01 3.82 -2.115007457e-01 -2.115007457e-01 3.84 -2.048630755e-01 -2.048630755e-01 3.86 -1.984954949e-01 -1.984954949e-01 3.88 -1.923895798e-01 -1.923895798e-01 3.90 -1.865361556e-01 -1.865361556e-01 3.92 -1.809252167e-01 -1.809252167e-01 3.94 -1.755458462e-01 -1.755458462e-01 3.96 -1.703861354e-01 -1.703861354e-01 3.98 -1.654331031e-01 -1.654331031e-01 4.00 -1.606726151e-01 -1.606726151e-01 4.02 -1.560893035e-01 -1.560893035e-01 4.04 -1.516664857e-01 -1.516664857e-01 4.06 -1.473879247e-01 -1.473879247e-01 4.08 -1.432458583e-01 -1.432458583e-01 4.10 -1.392355486e-01 -1.392355486e-01 4.12 -1.353524289e-01 -1.353524289e-01 4.14 -1.315920965e-01 -1.315920965e-01 4.16 -1.279503072e-01 -1.279503072e-01 4.18 -1.244229702e-01 -1.244229702e-01 4.20 -1.210061421e-01 -1.210061421e-01 4.22 -1.176960225e-01 -1.176960225e-01 4.24 -1.144889484e-01 -1.144889484e-01 4.26 -1.113813898e-01 -1.113813898e-01 4.28 -1.083699443e-01 -1.083699443e-01 4.30 -1.054513331e-01 -1.054513331e-01 4.32 -1.026223964e-01 -1.026223964e-01 4.34 -9.988008869e-02 -9.988008869e-02 4.36 -9.722147509e-02 -9.722147509e-02 4.38 -9.464372689e-02 -9.464372689e-02 4.40 -9.214411784e-02 -9.214411784e-02 4.42 -8.972002028e-02 -8.972002028e-02 4.44 -8.736890152e-02 -8.736890152e-02 4.46 -8.508832027e-02 -8.508832027e-02 4.48 -8.287562797e-02 -8.287562797e-02 4.50 -8.072713415e-02 -8.072713415e-02 4.52 -7.863909477e-02 -7.863909477e-02 4.54 -7.660801692e-02 -7.660801692e-02 4.56 -7.463065013e-02 -7.463065013e-02 4.58 -7.270397772e-02 -7.270397772e-02 4.60 -7.082520828e-02 -7.082520828e-02 4.62 -6.899176715e-02 -6.899176715e-02 4.64 -6.720128798e-02 -6.720128798e-02 4.66 -6.545160444e-02 -6.545160444e-02 4.68 -6.374074183e-02 -6.374074183e-02 4.70 -6.206690891e-02 -6.206690891e-02 4.72 -6.042848970e-02 -6.042848970e-02 4.74 -5.882403536e-02 -5.882403536e-02 4.76 -5.725225608e-02 -5.725225608e-02 4.78 -5.571201315e-02 -5.571201315e-02 4.80 -5.420231092e-02 -5.420231092e-02 4.82 -5.272228893e-02 -5.272228893e-02 4.84 -5.127121401e-02 -5.127121401e-02 4.86 -4.984847249e-02 -4.984847249e-02 4.88 -4.845356242e-02 -4.845356242e-02 4.90 -4.708608582e-02 -4.708608582e-02 4.92 -4.574574101e-02 -4.574574101e-02 4.94 -4.443231494e-02 -4.443231494e-02 4.96 -4.314567561e-02 -4.314567561e-02 4.98 -4.188576445e-02 -4.188576445e-02 5.00 -4.065258884e-02 -4.065258884e-02 5.02 -3.944621454e-02 -3.944621454e-02 5.04 -3.826675827e-02 -3.826675827e-02 5.06 -3.711438025e-02 -3.711438025e-02 5.08 -3.598927681e-02 -3.598927681e-02 5.10 -3.489167298e-02 -3.489167298e-02 5.12 -3.382181517e-02 -3.382181517e-02 5.14 -3.277996384e-02 -3.277996384e-02 5.16 -3.176635369e-02 -3.176635369e-02 5.18 -3.078049077e-02 -3.078049077e-02 5.20 -2.982122576e-02 -2.982122576e-02 5.22 -2.888749330e-02 -2.888749330e-02 5.24 -2.797833420e-02 -2.797833420e-02 5.26 -2.709288458e-02 -2.709288458e-02 5.28 -2.623036497e-02 -2.623036497e-02 5.30 -2.539006937e-02 -2.539006937e-02 5.32 -2.457135436e-02 -2.457135436e-02 5.34 -2.377362817e-02 -2.377362817e-02 5.36 -2.299633980e-02 -2.299633980e-02 5.38 -2.223896809e-02 -2.223896809e-02 5.40 -2.150101083e-02 -2.150101083e-02 5.42 -2.078197381e-02 -2.078197381e-02 5.44 -2.008135997e-02 -2.008135997e-02 5.46 -1.939865844e-02 -1.939865844e-02 5.48 -1.873333366e-02 -1.873333366e-02 5.50 -1.808481444e-02 -1.808481444e-02 5.52 -1.745248310e-02 -1.745248310e-02 5.54 -1.683566452e-02 -1.683566452e-02 5.56 -1.623361524e-02 -1.623361524e-02 5.58 -1.564551255e-02 -1.564551255e-02 5.60 -1.507044360e-02 -1.507044360e-02 5.62 -1.450739447e-02 -1.450739447e-02 5.64 -1.395523926e-02 -1.395523926e-02 5.66 -1.341272918e-02 -1.341272918e-02 5.68 -1.287848167e-02 -1.287848167e-02 5.70 -1.235096945e-02 -1.235096945e-02 5.72 -1.182851355e-02 -1.182851355e-02 5.74 -1.131000445e-02 -1.131000445e-02 5.76 -1.079583957e-02 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