# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Ti-Mn # implementation = 2025--Sharifi-H--Co-Ti-Mn--LAMMPS--ipr1 # composition = CoMn2Ti # 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 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 1.406446366e+03 1.406446366e+03 1.00 1.287446805e+03 1.287446805e+03 1.02 1.174546255e+03 1.174546255e+03 1.04 1.068328061e+03 1.068328061e+03 1.06 9.691232993e+02 9.691232993e+02 1.08 8.770577076e+02 8.770577076e+02 1.10 7.920942849e+02 7.920942849e+02 1.12 7.140704529e+02 7.140704529e+02 1.14 6.427298813e+02 6.427298813e+02 1.16 5.777493118e+02 5.777493118e+02 1.18 5.187607385e+02 5.187607385e+02 1.20 4.653694633e+02 4.653694633e+02 1.22 4.171685254e+02 4.171685254e+02 1.24 3.737499830e+02 3.737499830e+02 1.26 3.347135333e+02 3.347135333e+02 1.28 2.996728903e+02 2.996728903e+02 1.30 2.682603087e+02 2.682603087e+02 1.32 2.401291403e+02 2.401291403e+02 1.34 2.152810923e+02 2.152810923e+02 1.36 1.936808864e+02 1.936808864e+02 1.38 1.745539921e+02 1.745539921e+02 1.40 1.573876434e+02 1.573876434e+02 1.42 1.418526169e+02 1.418526169e+02 1.44 1.277324287e+02 1.277324287e+02 1.46 1.148775939e+02 1.148775939e+02 1.48 1.031769035e+02 1.031769035e+02 1.50 9.254004562e+01 9.254004562e+01 1.52 8.288762088e+01 8.288762088e+01 1.54 7.414583280e+01 7.414583280e+01 1.56 6.624402501e+01 6.624402501e+01 1.58 5.911385562e+01 5.911385562e+01 1.60 5.268932880e+01 5.268932880e+01 1.62 4.690720515e+01 4.690720515e+01 1.64 4.170750699e+01 4.170750699e+01 1.66 3.703396555e+01 3.703396555e+01 1.68 3.283434138e+01 3.283434138e+01 1.70 2.906059621e+01 2.906059621e+01 1.72 2.566892473e+01 2.566892473e+01 1.74 2.261966846e+01 2.261966846e+01 1.76 1.987713818e+01 1.987713818e+01 1.78 1.740937241e+01 1.740937241e+01 1.80 1.518785533e+01 1.518785533e+01 1.82 1.318721642e+01 1.318721642e+01 1.84 1.138492653e+01 1.138492653e+01 1.86 9.761000883e+00 9.761000883e+00 1.88 8.297717485e+00 8.297717485e+00 1.90 6.979339804e+00 6.979339804e+00 1.92 5.791841918e+00 5.791841918e+00 1.94 4.722692642e+00 4.722692642e+00 1.96 3.760668555e+00 3.760668555e+00 1.98 2.895668808e+00 2.895668808e+00 2.00 2.118561309e+00 2.118561309e+00 2.02 1.421076888e+00 1.421076888e+00 2.04 7.957257388e-01 7.957257388e-01 2.06 2.357223797e-01 2.357223797e-01 2.08 -2.650806193e-01 -2.650806193e-01 2.10 -7.122445443e-01 -7.122445443e-01 2.12 -1.110807265e+00 -1.110807265e+00 2.14 -1.465338367e+00 -1.465338367e+00 2.16 -1.779986673e+00 -1.779986673e+00 2.18 -2.058527522e+00 -2.058527522e+00 2.20 -2.304386241e+00 -2.304386241e+00 2.22 -2.520668194e+00 -2.520668194e+00 2.24 -2.710189183e+00 -2.710189183e+00 2.26 -2.875502829e+00 -2.875502829e+00 2.28 -3.018925315e+00 -3.018925315e+00 2.30 -3.142557724e+00 -3.142557724e+00 2.32 -3.248306197e+00 -3.248306197e+00 2.34 -3.337900171e+00 -3.337900171e+00 2.36 -3.412908858e+00 -3.412908858e+00 2.38 -3.474756138e+00 -3.474756138e+00 2.40 -3.524734055e+00 -3.524734055e+00 2.42 -3.564014710e+00 -3.564014710e+00 2.44 -3.593642860e+00 -3.593642860e+00 2.46 -3.614531213e+00 -3.614531213e+00 2.48 -3.627474454e+00 -3.627474454e+00 2.50 -3.633192520e+00 -3.633192520e+00 2.52 -3.632347846e+00 -3.632347846e+00 2.54 -3.625550009e+00 -3.625550009e+00 2.56 -3.613359972e+00 -3.613359972e+00 2.58 -3.596293959e+00 -3.596293959e+00 2.60 -3.574826983e+00 -3.574826983e+00 2.62 -3.549396087e+00 -3.549396087e+00 2.64 -3.520403291e+00 -3.520403291e+00 2.66 -3.488218307e+00 -3.488218307e+00 2.68 -3.453181013e+00 -3.453181013e+00 2.70 -3.415603735e+00 -3.415603735e+00 2.72 -3.375773327e+00 -3.375773327e+00 2.74 -3.333953095e+00 -3.333953095e+00 2.76 -3.290384544e+00 -3.290384544e+00 2.78 -3.245288993e+00 -3.245288993e+00 2.80 -3.198869046e+00 -3.198869046e+00 2.82 -3.151309940e+00 -3.151309940e+00 2.84 -3.102780776e+00 -3.102780776e+00 2.86 -3.053435642e+00 -3.053435642e+00 2.88 -3.003414645e+00 -3.003414645e+00 2.90 -2.952844851e+00 -2.952844851e+00 2.92 -2.901841145e+00 -2.901841145e+00 2.94 -2.850507027e+00 -2.850507027e+00 2.96 -2.798935334e+00 -2.798935334e+00 2.98 -2.747208905e+00 -2.747208905e+00 3.00 -2.695401189e+00 -2.695401189e+00 3.02 -2.643576806e+00 -2.643576806e+00 3.04 -2.591792048e+00 -2.591792048e+00 3.06 -2.540095349e+00 -2.540095349e+00 3.08 -2.488527703e+00 -2.488527703e+00 3.10 -2.437123056e+00 -2.437123056e+00 3.12 -2.385908673e+00 -2.385908673e+00 3.14 -2.334905471e+00 -2.334905471e+00 3.16 -2.284128361e+00 -2.284128361e+00 3.18 -2.233586576e+00 -2.233586576e+00 3.20 -2.183284019e+00 -2.183284019e+00 3.22 -2.133219638e+00 -2.133219638e+00 3.24 -2.083387846e+00 -2.083387846e+00 3.26 -2.033779005e+00 -2.033779005e+00 3.28 -1.984380002e+00 -1.984380002e+00 3.30 -1.935174929e+00 -1.935174929e+00 3.32 -1.886145910e+00 -1.886145910e+00 3.34 -1.837274087e+00 -1.837274087e+00 3.36 -1.788540807e+00 -1.788540807e+00 3.38 -1.739929014e+00 -1.739929014e+00 3.40 -1.691424886e+00 -1.691424886e+00 3.42 -1.643019702e+00 -1.643019702e+00 3.44 -1.594711927e+00 -1.594711927e+00 3.46 -1.546509480e+00 -1.546509480e+00 3.48 -1.498432090e+00 -1.498432090e+00 3.50 -1.450513620e+00 -1.450513620e+00 3.52 -1.402804179e+00 -1.402804179e+00 3.54 -1.355371791e+00 -1.355371791e+00 3.56 -1.308303358e+00 -1.308303358e+00 3.58 -1.261704642e+00 -1.261704642e+00 3.60 -1.215698996e+00 -1.215698996e+00 3.62 -1.170424680e+00 -1.170424680e+00 3.64 -1.126030671e+00 -1.126030671e+00 3.66 -1.082671097e+00 -1.082671097e+00 3.68 -1.040498556e+00 -1.040498556e+00 3.70 -9.996568213e-01 -9.996568213e-01 3.72 -9.602735267e-01 -9.602735267e-01 3.74 -9.224535316e-01 -9.224535316e-01 3.76 -8.862736109e-01 -8.862736109e-01 3.78 -8.517789951e-01 -8.517789951e-01 3.80 -8.189820788e-01 -8.189820788e-01 3.82 -7.878633577e-01 -7.878633577e-01 3.84 -7.583744056e-01 -7.583744056e-01 3.86 -7.304424902e-01 -7.304424902e-01 3.88 -7.039762830e-01 -7.039762830e-01 3.90 -6.788720646e-01 -6.788720646e-01 3.92 -6.550198470e-01 -6.550198470e-01 3.94 -6.323089259e-01 -6.323089259e-01 3.96 -6.106325057e-01 -6.106325057e-01 3.98 -5.898911908e-01 -5.898911908e-01 4.00 -5.699952859e-01 -5.699952859e-01 4.02 -5.508659716e-01 -5.508659716e-01 4.04 -5.324355207e-01 -5.324355207e-01 4.06 -5.146467755e-01 -5.146467755e-01 4.08 -4.974521273e-01 -4.974521273e-01 4.10 -4.808122257e-01 -4.808122257e-01 4.12 -4.646946095e-01 -4.646946095e-01 4.14 -4.490723982e-01 -4.490723982e-01 4.16 -4.339231297e-01 -4.339231297e-01 4.18 -4.192277843e-01 -4.192277843e-01 4.20 -4.049699943e-01 -4.049699943e-01 4.22 -3.911354230e-01 -3.911354230e-01 4.24 -3.777112804e-01 -3.777112804e-01 4.26 -3.646696975e-01 -3.646696975e-01 4.28 -3.516844412e-01 -3.516844412e-01 4.30 -3.379571955e-01 -3.379571955e-01 4.32 -3.234344957e-01 -3.234344957e-01 4.34 -3.113727872e-01 -3.113727872e-01 4.36 -3.004570103e-01 -3.004570103e-01 4.38 -2.898689202e-01 -2.898689202e-01 4.40 -2.796004365e-01 -2.796004365e-01 4.42 -2.696435519e-01 -2.696435519e-01 4.44 -2.599903192e-01 -2.599903192e-01 4.46 -2.506328477e-01 -2.506328477e-01 4.48 -2.415633060e-01 -2.415633060e-01 4.50 -2.327739298e-01 -2.327739298e-01 4.52 -2.242570324e-01 -2.242570324e-01 4.54 -2.160050174e-01 -2.160050174e-01 4.56 -2.080103927e-01 -2.080103927e-01 4.58 -2.002657844e-01 -2.002657844e-01 4.60 -1.927639511e-01 -1.927639511e-01 4.62 -1.854977979e-01 -1.854977979e-01 4.64 -1.784603884e-01 -1.784603884e-01 4.66 -1.716449557e-01 -1.716449557e-01 4.68 -1.650449117e-01 -1.650449117e-01 4.70 -1.586538539e-01 -1.586538539e-01 4.72 -1.524655703e-01 -1.524655703e-01 4.74 -1.464740421e-01 -1.464740421e-01 4.76 -1.406734442e-01 -1.406734442e-01 4.78 -1.350581432e-01 -1.350581432e-01 4.80 -1.296226945e-01 -1.296226945e-01 4.82 -1.243618372e-01 -1.243618372e-01 4.84 -1.192704875e-01 -1.192704875e-01 4.86 -1.143437322e-01 -1.143437322e-01 4.88 -1.095768203e-01 -1.095768203e-01 4.90 -1.049651548e-01 -1.049651548e-01 4.92 -1.001838990e-01 -1.001838990e-01 4.94 -9.134198093e-02 -9.134198093e-02 4.96 -6.976798766e-02 -6.976798766e-02 4.98 -3.075944232e-02 -3.075944232e-02 5.00 -7.833791166e-24 -8.277452932e-24 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00