# 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 = CrMn2Ni # 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 3.433410572e+04 3.433410572e+04 1.12 2.761826273e+04 2.761826273e+04 1.14 2.229820176e+04 2.229820176e+04 1.16 1.806690863e+04 1.806690863e+04 1.18 1.468854191e+04 1.468854191e+04 1.20 1.198111122e+04 1.198111122e+04 1.22 9.803566512e+03 9.803566512e+03 1.24 8.046125000e+03 8.046125000e+03 1.26 6.622990812e+03 6.622990812e+03 1.28 5.466848493e+03 5.466848493e+03 1.30 4.524678872e+03 4.524678872e+03 1.32 3.754569063e+03 3.754569063e+03 1.34 3.123267328e+03 3.123267328e+03 1.36 2.604300715e+03 2.604300715e+03 1.38 2.176522584e+03 2.176522584e+03 1.40 1.822986211e+03 1.822986211e+03 1.42 1.530067129e+03 1.530067129e+03 1.44 1.286777996e+03 1.286777996e+03 1.46 1.084232346e+03 1.084232346e+03 1.48 9.152222989e+02 9.152222989e+02 1.50 7.738854022e+02 7.738854022e+02 1.52 6.554400683e+02 6.554400683e+02 1.54 5.559759994e+02 5.559759994e+02 1.56 4.722871124e+02 4.722871124e+02 1.58 4.017380397e+02 4.017380397e+02 1.60 3.421576367e+02 3.421576367e+02 1.62 2.917527616e+02 2.917527616e+02 1.64 2.490385559e+02 2.490385559e+02 1.66 2.127829791e+02 2.127829791e+02 1.68 1.819616327e+02 1.819616327e+02 1.70 1.557209914e+02 1.557209914e+02 1.72 1.333485473e+02 1.333485473e+02 1.74 1.142484193e+02 1.142484193e+02 1.76 9.792118351e+01 9.792118351e+01 1.78 8.394727627e+01 8.394727627e+01 1.80 7.197370329e+01 7.197370329e+01 1.82 6.170304638e+01 6.170304638e+01 1.84 5.288417961e+01 5.288417961e+01 1.86 4.530476850e+01 4.530476850e+01 1.88 3.878506675e+01 3.878506675e+01 1.90 3.317271602e+01 3.317271602e+01 1.92 2.833841711e+01 2.833841711e+01 1.94 2.417214015e+01 2.417214015e+01 1.96 2.057996097e+01 2.057996097e+01 1.98 1.748150447e+01 1.748150447e+01 2.00 1.480806126e+01 1.480806126e+01 2.02 1.250086325e+01 1.250086325e+01 2.04 1.050959493e+01 1.050959493e+01 2.06 8.791034130e+00 8.791034130e+00 2.08 7.308067526e+00 7.308067526e+00 2.10 6.028796578e+00 6.028796578e+00 2.12 4.925759835e+00 4.925759835e+00 2.14 3.975298663e+00 3.975298663e+00 2.16 3.157020617e+00 3.157020617e+00 2.18 2.453344676e+00 2.453344676e+00 2.20 1.849115512e+00 1.849115512e+00 2.22 1.331236661e+00 1.331236661e+00 2.24 8.882573064e-01 8.882573064e-01 2.26 5.102281239e-01 5.102281239e-01 2.28 1.885299864e-01 1.885299864e-01 2.30 -8.430780317e-02 -8.430780317e-02 2.32 -3.147569629e-01 -3.147569629e-01 2.34 -5.084184207e-01 -5.084184207e-01 2.36 -6.701853246e-01 -6.701853246e-01 2.38 -8.043831449e-01 -8.043831449e-01 2.40 -9.147855481e-01 -9.147855481e-01 2.42 -1.004677524e+00 -1.004677524e+00 2.44 -1.076915422e+00 -1.076915422e+00 2.46 -1.133978446e+00 -1.133978446e+00 2.48 -1.178012828e+00 -1.178012828e+00 2.50 -1.210869686e+00 -1.210869686e+00 2.52 -1.234137464e+00 -1.234137464e+00 2.54 -1.249169692e+00 -1.249169692e+00 2.56 -1.257108835e+00 -1.257108835e+00 2.58 -1.258937613e+00 -1.258937613e+00 2.60 -1.255541902e+00 -1.255541902e+00 2.62 -1.247673212e+00 -1.247673212e+00 2.64 -1.235972023e+00 -1.235972023e+00 2.66 -1.221041358e+00 -1.221041358e+00 2.68 -1.203426215e+00 -1.203426215e+00 2.70 -1.183600242e+00 -1.183600242e+00 2.72 -1.161960162e+00 -1.161960162e+00 2.74 -1.138837282e+00 -1.138837282e+00 2.76 -1.114519058e+00 -1.114519058e+00 2.78 -1.089255001e+00 -1.089255001e+00 2.80 -1.063261250e+00 -1.063261250e+00 2.82 -1.036724502e+00 -1.036724502e+00 2.84 -1.009805378e+00 -1.009805378e+00 2.86 -9.826412985e-01 -9.826412985e-01 2.88 -9.553534010e-01 -9.553534010e-01 2.90 -9.280585150e-01 -9.280585150e-01 2.92 -9.008621285e-01 -9.008621285e-01 2.94 -8.738578477e-01 -8.738578477e-01 2.96 -8.471287897e-01 -8.471287897e-01 2.98 -8.207487505e-01 -8.207487505e-01 3.00 -7.947831791e-01 -7.947831791e-01 3.02 -7.692899779e-01 -7.692899779e-01 3.04 -7.443201534e-01 -7.443201534e-01 3.06 -7.199183329e-01 -7.199183329e-01 3.08 -6.961231653e-01 -6.961231653e-01 3.10 -6.729676184e-01 -6.729676184e-01 3.12 -6.504791860e-01 -6.504791860e-01 3.14 -6.286800152e-01 -6.286800152e-01 3.16 -6.075869126e-01 -6.075869126e-01 3.18 -5.872080022e-01 -5.872080022e-01 3.20 -5.675412114e-01 -5.675412114e-01 3.22 -5.485797964e-01 -5.485797964e-01 3.24 -5.303126777e-01 -5.303126777e-01 3.26 -5.127241893e-01 -5.127241893e-01 3.28 -4.957937951e-01 -4.957937951e-01 3.30 -4.794957744e-01 -4.794957744e-01 3.32 -4.638017331e-01 -4.638017331e-01 3.34 -4.486896225e-01 -4.486896225e-01 3.36 -4.341363173e-01 -4.341363173e-01 3.38 -4.201146968e-01 -4.201146968e-01 3.40 -4.065933603e-01 -4.065933603e-01 3.42 -3.935363285e-01 -3.935363285e-01 3.44 -3.809027322e-01 -3.809027322e-01 3.46 -3.686486623e-01 -3.686486623e-01 3.48 -3.567514418e-01 -3.567514418e-01 3.50 -3.452043239e-01 -3.452043239e-01 3.52 -3.340012530e-01 -3.340012530e-01 3.54 -3.231365569e-01 -3.231365569e-01 3.56 -3.126049085e-01 -3.126049085e-01 3.58 -3.024012817e-01 -3.024012817e-01 3.60 -2.925209037e-01 -2.925209037e-01 3.62 -2.829592025e-01 -2.829592025e-01 3.64 -2.737117514e-01 -2.737117514e-01 3.66 -2.647742104e-01 -2.647742104e-01 3.68 -2.561422650e-01 -2.561422650e-01 3.70 -2.478115622e-01 -2.478115622e-01 3.72 -2.397776453e-01 -2.397776453e-01 3.74 -2.320358861e-01 -2.320358861e-01 3.76 -2.245814163e-01 -2.245814163e-01 3.78 -2.174090569e-01 -2.174090569e-01 3.80 -2.105132469e-01 -2.105132469e-01 3.82 -2.038879708e-01 -2.038879708e-01 3.84 -1.975266857e-01 -1.975266857e-01 3.86 -1.914222469e-01 -1.914222469e-01 3.88 -1.855668335e-01 -1.855668335e-01 3.90 -1.799518732e-01 -1.799518732e-01 3.92 -1.745679672e-01 -1.745679672e-01 3.94 -1.694048137e-01 -1.694048137e-01 3.96 -1.644511323e-01 -1.644511323e-01 3.98 -1.596945873e-01 -1.596945873e-01 4.00 -1.551217114e-01 -1.551217114e-01 4.02 -1.507178286e-01 -1.507178286e-01 4.04 -1.464669779e-01 -1.464669779e-01 4.06 -1.423536159e-01 -1.423536159e-01 4.08 -1.383703836e-01 -1.383703836e-01 4.10 -1.345128356e-01 -1.345128356e-01 4.12 -1.307766819e-01 -1.307766819e-01 4.14 -1.271577819e-01 -1.271577819e-01 4.16 -1.236521396e-01 -1.236521396e-01 4.18 -1.202558991e-01 -1.202558991e-01 4.20 -1.169653402e-01 -1.169653402e-01 4.22 -1.137768736e-01 -1.137768736e-01 4.24 -1.106870370e-01 -1.106870370e-01 4.26 -1.076924906e-01 -1.076924906e-01 4.28 -1.047900130e-01 -1.047900130e-01 4.30 -1.019764970e-01 -1.019764970e-01 4.32 -9.924894591e-02 -9.924894591e-02 4.34 -9.660446957e-02 -9.660446957e-02 4.36 -9.404028056e-02 -9.404028056e-02 4.38 -9.155369064e-02 -9.155369064e-02 4.40 -8.914210723e-02 -8.914210723e-02 4.42 -8.680302996e-02 -8.680302996e-02 4.44 -8.453404738e-02 -8.453404738e-02 4.46 -8.233283378e-02 -8.233283378e-02 4.48 -8.019686143e-02 -8.019686143e-02 4.50 -7.812259642e-02 -7.812259642e-02 4.52 -7.610645141e-02 -7.610645141e-02 4.54 -7.414507942e-02 -7.414507942e-02 4.56 -7.223536557e-02 -7.223536557e-02 4.58 -7.037441887e-02 -7.037441887e-02 4.60 -6.855956410e-02 -6.855956410e-02 4.62 -6.678833368e-02 -6.678833368e-02 4.64 -6.505845968e-02 -6.505845968e-02 4.66 -6.336786582e-02 -6.336786582e-02 4.68 -6.171465954e-02 -6.171465954e-02 4.70 -6.009712415e-02 -6.009712415e-02 4.72 -5.851371102e-02 -5.851371102e-02 4.74 -5.696303177e-02 -5.696303177e-02 4.76 -5.544385059e-02 -5.544385059e-02 4.78 -5.395507657e-02 -5.395507657e-02 4.80 -5.249575604e-02 -5.249575604e-02 4.82 -5.106506500e-02 -5.106506500e-02 4.84 -4.966230162e-02 -4.966230162e-02 4.86 -4.828687869e-02 -4.828687869e-02 4.88 -4.693831619e-02 -4.693831619e-02 4.90 -4.561623386e-02 -4.561623386e-02 4.92 -4.432034386e-02 -4.432034386e-02 4.94 -4.305044337e-02 -4.305044337e-02 4.96 -4.180640732e-02 -4.180640732e-02 4.98 -4.058818112e-02 -4.058818112e-02 5.00 -3.939577338e-02 -3.939577338e-02 5.02 -3.822924876e-02 -3.822924876e-02 5.04 -3.708872075e-02 -3.708872075e-02 5.06 -3.597434455e-02 -3.597434455e-02 5.08 -3.488630990e-02 -3.488630990e-02 5.10 -3.382483406e-02 -3.382483406e-02 5.12 -3.279015471e-02 -3.279015471e-02 5.14 -3.178252288e-02 -3.178252288e-02 5.16 -3.080216443e-02 -3.080216443e-02 5.18 -2.984859697e-02 -2.984859697e-02 5.20 -2.892070133e-02 -2.892070133e-02 5.22 -2.801743992e-02 -2.801743992e-02 5.24 -2.713787850e-02 -2.713787850e-02 5.26 -2.628117562e-02 -2.628117562e-02 5.28 -2.544657211e-02 -2.544657211e-02 5.30 -2.463338050e-02 -2.463338050e-02 5.32 -2.384097452e-02 -2.384097452e-02 5.34 -2.306877855e-02 -2.306877855e-02 5.36 -2.231625705e-02 -2.231625705e-02 5.38 -2.158290408e-02 -2.158290408e-02 5.40 -2.086823273e-02 -2.086823273e-02 5.42 -2.017176455e-02 -2.017176455e-02 5.44 -1.949301908e-02 -1.949301908e-02 5.46 -1.883150326e-02 -1.883150326e-02 5.48 -1.818670089e-02 -1.818670089e-02 5.50 -1.755806214e-02 -1.755806214e-02 5.52 -1.694499296e-02 -1.694499296e-02 5.54 -1.634684456e-02 -1.634684456e-02 5.56 -1.576290287e-02 -1.576290287e-02 5.58 -1.519237803e-02 -1.519237803e-02 5.60 -1.463439379e-02 -1.463439379e-02 5.62 -1.408797703e-02 -1.408797703e-02 5.64 -1.355204718e-02 -1.355204718e-02 5.66 -1.302540572e-02 -1.302540572e-02 5.68 -1.250672562e-02 -1.250672562e-02 5.70 -1.199454077e-02 -1.199454077e-02 5.72 -1.148723930e-02 -1.148723930e-02 5.74 -1.098375800e-02 -1.098375800e-02 5.76 -1.048448532e-02 -1.048448532e-02 5.78 -9.990028395e-03 -9.990028395e-03 5.80 -9.501017679e-03 -9.501017679e-03 5.82 -9.018102784e-03 -9.018102784e-03 5.84 -8.541948314e-03 -8.541948314e-03 5.86 -8.073229697e-03 -8.073229697e-03 5.88 -7.612629026e-03 -7.612629026e-03 5.90 -7.160830894e-03 -7.160830894e-03 5.92 -6.718518231e-03 -6.718518231e-03 5.94 -6.286368138e-03 -6.286368138e-03 5.96 -5.865047724e-03 -5.865047724e-03 5.98 -5.455209945e-03 -5.455209945e-03 6.00 -5.057489436e-03 -5.057489436e-03