# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CoTiW2 # 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 2024-04-11 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 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.206543917e+02 3.206543917e+02 1.30 2.954827734e+02 2.954827734e+02 1.32 2.723011186e+02 2.723011186e+02 1.34 2.509347963e+02 2.509347963e+02 1.36 2.312219448e+02 2.312219448e+02 1.38 2.130148370e+02 2.130148370e+02 1.40 1.961813077e+02 1.961813077e+02 1.42 1.806050255e+02 1.806050255e+02 1.44 1.661842799e+02 1.661842799e+02 1.46 1.528297744e+02 1.528297744e+02 1.48 1.404621893e+02 1.404621893e+02 1.50 1.290101160e+02 1.290101160e+02 1.52 1.184085692e+02 1.184085692e+02 1.54 1.085980396e+02 1.085980396e+02 1.56 9.952392966e+01 9.952392966e+01 1.58 9.113604137e+01 9.113604137e+01 1.60 8.338785639e+01 8.338785639e+01 1.62 7.623567437e+01 7.623567437e+01 1.64 6.963783997e+01 6.963783997e+01 1.66 6.355421579e+01 6.355421579e+01 1.68 5.794597398e+01 5.794597398e+01 1.70 5.277570962e+01 5.277570962e+01 1.72 4.800776835e+01 4.800776835e+01 1.74 4.360861981e+01 4.360861981e+01 1.76 3.954714277e+01 3.954714277e+01 1.78 3.579478862e+01 3.579478862e+01 1.80 3.232566749e+01 3.232566749e+01 1.82 2.911659191e+01 2.911659191e+01 1.84 2.614705272e+01 2.614705272e+01 1.86 2.339929161e+01 2.339929161e+01 1.88 2.085869029e+01 2.085869029e+01 1.90 1.851147579e+01 1.851147579e+01 1.92 1.634523778e+01 1.634523778e+01 1.94 1.434890416e+01 1.434890416e+01 1.96 1.251159917e+01 1.251159917e+01 1.98 1.082265725e+01 1.082265725e+01 2.00 9.271857473e+00 9.271857473e+00 2.02 7.849375961e+00 7.849375961e+00 2.04 6.545719935e+00 6.545719935e+00 2.06 5.351662961e+00 5.351662961e+00 2.08 4.258220679e+00 4.258220679e+00 2.10 3.256692177e+00 3.256692177e+00 2.12 2.338763100e+00 2.338763100e+00 2.14 1.496644681e+00 1.496644681e+00 2.16 7.232146072e-01 7.232146072e-01 2.18 1.212403178e-02 1.212403178e-02 2.20 -6.421579459e-01 -6.421579459e-01 2.22 -1.244374689e+00 -1.244374689e+00 2.24 -1.798575969e+00 -1.798575969e+00 2.26 -2.308246798e+00 -2.308246798e+00 2.28 -2.776438857e+00 -2.776438857e+00 2.30 -3.205880690e+00 -3.205880690e+00 2.32 -3.599057809e+00 -3.599057809e+00 2.34 -3.958262902e+00 -3.958262902e+00 2.36 -4.285626061e+00 -4.285626061e+00 2.38 -4.583134549e+00 -4.583134549e+00 2.40 -4.852649835e+00 -4.852649835e+00 2.42 -5.095923601e+00 -5.095923601e+00 2.44 -5.314610538e+00 -5.314610538e+00 2.46 -5.510276087e+00 -5.510276087e+00 2.48 -5.684376241e+00 -5.684376241e+00 2.50 -5.838142965e+00 -5.838142965e+00 2.52 -5.972994872e+00 -5.972994872e+00 2.54 -6.090298056e+00 -6.090298056e+00 2.56 -6.191299751e+00 -6.191299751e+00 2.58 -6.277134437e+00 -6.277134437e+00 2.60 -6.348829287e+00 -6.348829287e+00 2.62 -6.407308758e+00 -6.407308758e+00 2.64 -6.453370594e+00 -6.453370594e+00 2.66 -6.487309136e+00 -6.487309136e+00 2.68 -6.509123389e+00 -6.509123389e+00 2.70 -6.518881669e+00 -6.518881669e+00 2.72 -6.516726268e+00 -6.516726268e+00 2.74 -6.502869094e+00 -6.502869094e+00 2.76 -6.477585637e+00 -6.477585637e+00 2.78 -6.441207524e+00 -6.441207524e+00 2.80 -6.394115436e+00 -6.394115436e+00 2.82 -6.336749167e+00 -6.336749167e+00 2.84 -6.269636406e+00 -6.269636406e+00 2.86 -6.193268214e+00 -6.193268214e+00 2.88 -6.108130657e+00 -6.108130657e+00 2.90 -6.014794362e+00 -6.014794362e+00 2.92 -5.913925713e+00 -5.913925713e+00 2.94 -5.806293019e+00 -5.806293019e+00 2.96 -5.692767206e+00 -5.692767206e+00 2.98 -5.574310305e+00 -5.574310305e+00 3.00 -5.451883931e+00 -5.451883931e+00 3.02 -5.326385789e+00 -5.326385789e+00 3.04 -5.198704615e+00 -5.198704615e+00 3.06 -5.069703655e+00 -5.069703655e+00 3.08 -4.940162340e+00 -4.940162340e+00 3.10 -4.810727013e+00 -4.810727013e+00 3.12 -4.681878345e+00 -4.681878345e+00 3.14 -4.553919709e+00 -4.553919709e+00 3.16 -4.426984546e+00 -4.426984546e+00 3.18 -4.301059509e+00 -4.301059509e+00 3.20 -4.176016357e+00 -4.176016357e+00 3.22 -4.051647509e+00 -4.051647509e+00 3.24 -3.927701220e+00 -3.927701220e+00 3.26 -3.803914127e+00 -3.803914127e+00 3.28 -3.680040218e+00 -3.680040218e+00 3.30 -3.555876066e+00 -3.555876066e+00 3.32 -3.431282451e+00 -3.431282451e+00 3.34 -3.306202353e+00 -3.306202353e+00 3.36 -3.180675021e+00 -3.180675021e+00 3.38 -3.054845466e+00 -3.054845466e+00 3.40 -2.928968443e+00 -2.928968443e+00 3.42 -2.803406082e+00 -2.803406082e+00 3.44 -2.678618292e+00 -2.678618292e+00 3.46 -2.555146098e+00 -2.555146098e+00 3.48 -2.433588315e+00 -2.433588315e+00 3.50 -2.314573118e+00 -2.314573118e+00 3.52 -2.198726611e+00 -2.198726611e+00 3.54 -2.086641005e+00 -2.086641005e+00 3.56 -1.978845171e+00 -1.978845171e+00 3.58 -1.875780096e+00 -1.875780096e+00 3.60 -1.777781315e+00 -1.777781315e+00 3.62 -1.685069555e+00 -1.685069555e+00 3.64 -1.597749861e+00 -1.597749861e+00 3.66 -1.515818444e+00 -1.515818444e+00 3.68 -1.439175623e+00 -1.439175623e+00 3.70 -1.367642712e+00 -1.367642712e+00 3.72 -1.300980631e+00 -1.300980631e+00 3.74 -1.238908284e+00 -1.238908284e+00 3.76 -1.181119290e+00 -1.181119290e+00 3.78 -1.127296199e+00 -1.127296199e+00 3.80 -1.077121859e+00 -1.077121859e+00 3.82 -1.030287955e+00 -1.030287955e+00 3.84 -9.865010117e-01 -9.865010117e-01 3.86 -9.454862426e-01 -9.454862426e-01 3.88 -9.069896729e-01 -9.069896729e-01 3.90 -8.707789469e-01 -8.707789469e-01 3.92 -8.366431547e-01 -8.366431547e-01 3.94 -8.043921086e-01 -8.043921086e-01 3.96 -7.738549652e-01 -7.738549652e-01 3.98 -7.448788522e-01 -7.448788522e-01 4.00 -7.173272689e-01 -7.173272689e-01 4.02 -6.910785153e-01 -6.910785153e-01 4.04 -6.660241953e-01 -6.660241953e-01 4.06 -6.420678415e-01 -6.420678415e-01 4.08 -6.191236943e-01 -6.191236943e-01 4.10 -5.971155623e-01 -5.971155623e-01 4.12 -5.759763074e-01 -5.759763074e-01 4.14 -5.556465496e-01 -5.556465496e-01 4.16 -5.360744906e-01 -5.360744906e-01 4.18 -5.172153192e-01 -5.172153192e-01 4.20 -4.990307666e-01 -4.990307666e-01 4.22 -4.814886397e-01 -4.814886397e-01 4.24 -4.645622645e-01 -4.645622645e-01 4.26 -4.482297862e-01 -4.482297862e-01 4.28 -4.324732999e-01 -4.324732999e-01 4.30 -4.172778220e-01 -4.172778220e-01 4.32 -4.026301675e-01 -4.026301675e-01 4.34 -3.885178271e-01 -3.885178271e-01 4.36 -3.749279611e-01 -3.749279611e-01 4.38 -3.618464730e-01 -3.618464730e-01 4.40 -3.492576815e-01 -3.492576815e-01 4.42 -3.371444423e-01 -3.371444423e-01 4.44 -3.254878240e-01 -3.254878240e-01 4.46 -3.142674237e-01 -3.142674237e-01 4.48 -3.034618070e-01 -3.034618070e-01 4.50 -2.930489785e-01 -2.930489785e-01 4.52 -2.830068177e-01 -2.830068177e-01 4.54 -2.733134421e-01 -2.733134421e-01 4.56 -2.639474805e-01 -2.639474805e-01 4.58 -2.548882591e-01 -2.548882591e-01 4.60 -2.461159152e-01 -2.461159152e-01 4.62 -2.376114582e-01 -2.376114582e-01 4.64 -2.293568009e-01 -2.293568009e-01 4.66 -2.213347819e-01 -2.213347819e-01 4.68 -2.135291981e-01 -2.135291981e-01 4.70 -2.059248622e-01 -2.059248622e-01 4.72 -1.985076980e-01 -1.985076980e-01 4.74 -1.912648790e-01 -1.912648790e-01 4.76 -1.841850144e-01 -1.841850144e-01 4.78 -1.772583763e-01 -1.772583763e-01 4.80 -1.704771161e-01 -1.704771161e-01 4.82 -1.638357076e-01 -1.638357076e-01 4.84 -1.573309224e-01 -1.573309224e-01 4.86 -1.509622160e-01 -1.509622160e-01 4.88 -1.447317755e-01 -1.447317755e-01 4.90 -1.386444799e-01 -1.386444799e-01 4.92 -1.327076908e-01 -1.327076908e-01 4.94 -1.269308558e-01 -1.269308558e-01 4.96 -1.213249272e-01 -1.213249272e-01 4.98 -1.159016297e-01 -1.159016297e-01 5.00 -1.106726313e-01 -1.106726313e-01 5.02 -1.056486907e-01 -1.056486907e-01 5.04 -1.008388634e-01 -1.008388634e-01 5.06 -9.624984199e-02 -9.624984199e-02 5.08 -9.188544993e-02 -9.188544993e-02 5.10 -8.774638136e-02 -8.774638136e-02 5.12 -8.383039103e-02 -8.383039103e-02 5.14 -8.013231566e-02 -8.013231566e-02 5.16 -7.664440862e-02 -7.664440862e-02 5.18 -7.335679733e-02 -7.335679733e-02 5.20 -7.025799393e-02 -7.025799393e-02 5.22 -6.733540968e-02 -6.733540968e-02 5.24 -6.457583355e-02 -6.457583355e-02 5.26 -6.196584848e-02 -6.196584848e-02 5.28 -5.949217102e-02 -5.949217102e-02 5.30 -5.714191076e-02 -5.714191076e-02 5.32 -5.490275391e-02 -5.490275391e-02 5.34 -5.276308057e-02 -5.276308057e-02 5.36 -5.071202804e-02 -5.071202804e-02 5.38 -4.873951313e-02 -4.873951313e-02 5.40 -4.683622623e-02 -4.683622623e-02 5.42 -4.499360821e-02 -4.499360821e-02 5.44 -4.320381995e-02 -4.320381995e-02 5.46 -4.145971216e-02 -4.145971216e-02 5.48 -3.975480169e-02 -3.975480169e-02 5.50 -3.808325886e-02 -3.808325886e-02 5.52 -3.643990876e-02 -3.643990876e-02 5.54 -3.482024817e-02 -3.482024817e-02 5.56 -3.322047784e-02 -3.322047784e-02 5.58 -3.163754887e-02 -3.163754887e-02 5.60 -3.006921995e-02 -3.006921995e-02 5.62 -2.851411993e-02 -2.851411993e-02 5.64 -2.697180891e-02 -2.697180891e-02 5.66 -2.544282899e-02 -2.544282899e-02 5.68 -2.392873463e-02 -2.392873463e-02 5.70 -2.243209219e-02 -2.243209219e-02 5.72 -2.095643894e-02 -2.095643894e-02 5.74 -1.950619374e-02 -1.950619374e-02 5.76 -1.808651393e-02 -1.808651393e-02 5.78 -1.670296937e-02 -1.670296937e-02 5.80 -1.536154501e-02 -1.536154501e-02 5.82 -1.406837122e-02 -1.406837122e-02 5.84 -1.282933287e-02 -1.282933287e-02 5.86 -1.164979505e-02 -1.164979505e-02 5.88 -1.053435809e-02 -1.053435809e-02 5.90 -9.486660756e-03 -9.486660756e-03 5.92 -8.509245297e-03 -8.509245297e-03 5.94 -7.603491088e-03 -7.603491088e-03 5.96 -6.769616675e-03 -6.769616675e-03 5.98 -6.006743338e-03 -6.006743338e-03 6.00 -5.313008399e-03 -5.313008399e-03