# 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 = CoMoTa2 # 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 3.013672274e+02 3.013672274e+02 1.30 2.787636808e+02 2.787636808e+02 1.32 2.578685421e+02 2.578685421e+02 1.34 2.385383518e+02 2.385383518e+02 1.36 2.206431214e+02 2.206431214e+02 1.38 2.040651600e+02 2.040651600e+02 1.40 1.886983080e+02 1.886983080e+02 1.42 1.744471466e+02 1.744471466e+02 1.44 1.612255758e+02 1.612255758e+02 1.46 1.489549343e+02 1.489549343e+02 1.48 1.375622851e+02 1.375622851e+02 1.50 1.269793487e+02 1.269793487e+02 1.52 1.171423224e+02 1.171423224e+02 1.54 1.079925154e+02 1.079925154e+02 1.56 9.947725891e+01 9.947725891e+01 1.58 9.155031583e+01 9.155031583e+01 1.60 8.417135595e+01 8.417135595e+01 1.62 7.730468990e+01 7.730468990e+01 1.64 7.091781825e+01 7.091781825e+01 1.66 6.498028346e+01 6.498028346e+01 1.68 5.946301834e+01 5.946301834e+01 1.70 5.433811449e+01 5.433811449e+01 1.72 4.957881636e+01 4.957881636e+01 1.74 4.515958405e+01 4.515958405e+01 1.76 4.105617156e+01 4.105617156e+01 1.78 3.724573228e+01 3.724573228e+01 1.80 3.370695195e+01 3.370695195e+01 1.82 3.042016490e+01 3.042016490e+01 1.84 2.736739541e+01 2.736739541e+01 1.86 2.453236834e+01 2.453236834e+01 1.88 2.190685109e+01 2.190685109e+01 1.90 1.948059657e+01 1.948059657e+01 1.92 1.724048269e+01 1.724048269e+01 1.94 1.517543672e+01 1.517543672e+01 1.96 1.327328165e+01 1.327328165e+01 1.98 1.152150578e+01 1.152150578e+01 2.00 9.907981876e+00 9.907981876e+00 2.02 8.421200497e+00 8.421200497e+00 2.04 7.050481989e+00 7.050481989e+00 2.06 5.786142174e+00 5.786142174e+00 2.08 4.619556587e+00 4.619556587e+00 2.10 3.543118099e+00 3.543118099e+00 2.12 2.550123864e+00 2.550123864e+00 2.14 1.634639769e+00 1.634639769e+00 2.16 7.913765793e-01 7.913765793e-01 2.18 1.558834970e-02 1.558834970e-02 2.20 -6.970140709e-01 -6.970140709e-01 2.22 -1.350346496e+00 -1.350346496e+00 2.24 -1.948038414e+00 -1.948038414e+00 2.26 -2.493521314e+00 -2.493521314e+00 2.28 -2.990109647e+00 -2.990109647e+00 2.30 -3.441063448e+00 -3.441063448e+00 2.32 -3.849622752e+00 -3.849622752e+00 2.34 -4.219008076e+00 -4.219008076e+00 2.36 -4.552387819e+00 -4.552387819e+00 2.38 -4.852821331e+00 -4.852821331e+00 2.40 -5.123192742e+00 -5.123192742e+00 2.42 -5.366152592e+00 -5.366152592e+00 2.44 -5.584080603e+00 -5.584080603e+00 2.46 -5.779075326e+00 -5.779075326e+00 2.48 -5.952968356e+00 -5.952968356e+00 2.50 -6.107355646e+00 -6.107355646e+00 2.52 -6.243637367e+00 -6.243637367e+00 2.54 -6.363059262e+00 -6.363059262e+00 2.56 -6.466709393e+00 -6.466709393e+00 2.58 -6.555459493e+00 -6.555459493e+00 2.60 -6.630447568e+00 -6.630447568e+00 2.62 -6.692764304e+00 -6.692764304e+00 2.64 -6.743402685e+00 -6.743402685e+00 2.66 -6.783261527e+00 -6.783261527e+00 2.68 -6.813149625e+00 -6.813149625e+00 2.70 -6.833792809e+00 -6.833792809e+00 2.72 -6.845837191e+00 -6.845837191e+00 2.74 -6.849646275e+00 -6.849646275e+00 2.76 -6.845234692e+00 -6.845234692e+00 2.78 -6.832794865e+00 -6.832794865e+00 2.80 -6.812583260e+00 -6.812583260e+00 2.82 -6.784864114e+00 -6.784864114e+00 2.84 -6.749904379e+00 -6.749904379e+00 2.86 -6.708005085e+00 -6.708005085e+00 2.88 -6.659436677e+00 -6.659436677e+00 2.90 -6.604412910e+00 -6.604412910e+00 2.92 -6.543156947e+00 -6.543156947e+00 2.94 -6.475856538e+00 -6.475856538e+00 2.96 -6.402601106e+00 -6.402601106e+00 2.98 -6.323490832e+00 -6.323490832e+00 3.00 -6.238643893e+00 -6.238643893e+00 3.02 -6.148126497e+00 -6.148126497e+00 3.04 -6.051975477e+00 -6.051975477e+00 3.06 -5.950248851e+00 -5.950248851e+00 3.08 -5.843018660e+00 -5.843018660e+00 3.10 -5.730365533e+00 -5.730365533e+00 3.12 -5.612377852e+00 -5.612377852e+00 3.14 -5.489156218e+00 -5.489156218e+00 3.16 -5.360823010e+00 -5.360823010e+00 3.18 -5.227535981e+00 -5.227535981e+00 3.20 -5.089504176e+00 -5.089504176e+00 3.22 -4.947004124e+00 -4.947004124e+00 3.24 -4.800394147e+00 -4.800394147e+00 3.26 -4.650124635e+00 -4.650124635e+00 3.28 -4.496742423e+00 -4.496742423e+00 3.30 -4.340887820e+00 -4.340887820e+00 3.32 -4.183283626e+00 -4.183283626e+00 3.34 -4.024716374e+00 -4.024716374e+00 3.36 -3.866011041e+00 -3.866011041e+00 3.38 -3.708001291e+00 -3.708001291e+00 3.40 -3.551497827e+00 -3.551497827e+00 3.42 -3.397257560e+00 -3.397257560e+00 3.44 -3.245956042e+00 -3.245956042e+00 3.46 -3.098165091e+00 -3.098165091e+00 3.48 -2.954336937e+00 -2.954336937e+00 3.50 -2.814795585e+00 -2.814795585e+00 3.52 -2.679735540e+00 -2.679735540e+00 3.54 -2.549227552e+00 -2.549227552e+00 3.56 -2.423230665e+00 -2.423230665e+00 3.58 -2.301609528e+00 -2.301609528e+00 3.60 -2.184155683e+00 -2.184155683e+00 3.62 -2.070611432e+00 -2.070611432e+00 3.64 -1.960694787e+00 -1.960694787e+00 3.66 -1.854124073e+00 -1.854124073e+00 3.68 -1.750640790e+00 -1.750640790e+00 3.70 -1.650029472e+00 -1.650029472e+00 3.72 -1.552133420e+00 -1.552133420e+00 3.74 -1.456865387e+00 -1.456865387e+00 3.76 -1.364212541e+00 -1.364212541e+00 3.78 -1.274235380e+00 -1.274235380e+00 3.80 -1.187060700e+00 -1.187060700e+00 3.82 -1.102869219e+00 -1.102869219e+00 3.84 -1.021878944e+00 -1.021878944e+00 3.86 -9.443258183e-01 -9.443258183e-01 3.88 -8.704434419e-01 -8.704434419e-01 3.90 -8.004437475e-01 -8.004437475e-01 3.92 -7.345003137e-01 -7.345003137e-01 3.94 -6.727356217e-01 -6.727356217e-01 3.96 -6.152130164e-01 -6.152130164e-01 3.98 -5.619335529e-01 -5.619335529e-01 4.00 -5.128373714e-01 -5.128373714e-01 4.02 -4.678088352e-01 -4.678088352e-01 4.04 -4.266844255e-01 -4.266844255e-01 4.06 -3.892623180e-01 -3.892623180e-01 4.08 -3.553126356e-01 -3.553126356e-01 4.10 -3.245875403e-01 -3.245875403e-01 4.12 -2.968305440e-01 -2.968305440e-01 4.14 -2.717846295e-01 -2.717846295e-01 4.16 -2.491989731e-01 -2.491989731e-01 4.18 -2.288341992e-01 -2.288341992e-01 4.20 -2.104662007e-01 -2.104662007e-01 4.22 -1.938886213e-01 -1.938886213e-01 4.24 -1.789141277e-01 -1.789141277e-01 4.26 -1.653746216e-01 -1.653746216e-01 4.28 -1.531205622e-01 -1.531205622e-01 4.30 -1.420195933e-01 -1.420195933e-01 4.32 -1.319546964e-01 -1.319546964e-01 4.34 -1.228221045e-01 -1.228221045e-01 4.36 -1.145292060e-01 -1.145292060e-01 4.38 -1.069926428e-01 -1.069926428e-01 4.40 -1.001367156e-01 -1.001367156e-01 4.42 -9.389216754e-02 -9.389216754e-02 4.44 -8.819529904e-02 -8.819529904e-02 4.46 -8.298735043e-02 -8.298735043e-02 4.48 -7.821453812e-02 -7.821453812e-02 4.50 -7.382741959e-02 -7.382741959e-02 4.52 -6.978081725e-02 -6.978081725e-02 4.54 -6.603404390e-02 -6.603404390e-02 4.56 -6.255021663e-02 -6.255021663e-02 4.58 -5.929606327e-02 -5.929606327e-02 4.60 -5.624169549e-02 -5.624169549e-02 4.62 -5.336035002e-02 -5.336035002e-02 4.64 -5.062812635e-02 -5.062812635e-02 4.66 -4.802374124e-02 -4.802374124e-02 4.68 -4.552831622e-02 -4.552831622e-02 4.70 -4.312521106e-02 -4.312521106e-02 4.72 -4.079991120e-02 -4.079991120e-02 4.74 -3.853997233e-02 -3.853997233e-02 4.76 -3.633501983e-02 -3.633501983e-02 4.78 -3.417679565e-02 -3.417679565e-02 4.80 -3.205924012e-02 -3.205924012e-02 4.82 -2.997858229e-02 -2.997858229e-02 4.84 -2.793341328e-02 -2.793341328e-02 4.86 -2.592471207e-02 -2.592471207e-02 4.88 -2.395578564e-02 -2.395578564e-02 4.90 -2.203209369e-02 -2.203209369e-02 4.92 -2.016093640e-02 -2.016093640e-02 4.94 -1.835100103e-02 -1.835100103e-02 4.96 -1.661161664e-02 -1.661161664e-02 4.98 -1.495232419e-02 -1.495232419e-02 5.00 -1.338236385e-02 -1.338236385e-02 5.02 -1.190976646e-02 -1.190976646e-02 5.04 -1.054081540e-02 -1.054081540e-02 5.06 -9.279671736e-03 -9.279671736e-03 5.08 -8.128190317e-03 -8.128190317e-03 5.10 -7.085927535e-03 -7.085927535e-03 5.12 -6.150316923e-03 -6.150316923e-03 5.14 -5.316971368e-03 -5.316971368e-03 5.16 -4.580062700e-03 -4.580062700e-03 5.18 -3.932730360e-03 -3.932730360e-03 5.20 -3.367478460e-03 -3.367478460e-03 5.22 -2.876531736e-03 -2.876531736e-03 5.24 -2.452132823e-03 -2.452132823e-03 5.26 -2.086773847e-03 -2.086773847e-03 5.28 -1.773363465e-03 -1.773363465e-03 5.30 -1.505335826e-03 -1.505335826e-03 5.32 -1.276710778e-03 -1.276710778e-03 5.34 -1.082115594e-03 -1.082115594e-03 5.36 -9.167780804e-04 -9.167780804e-04 5.38 -7.764997584e-04 -7.764997584e-04 5.40 -6.576163306e-04 -6.576163306e-04 5.42 -5.569510525e-04 -5.569510525e-04 5.44 -4.717652170e-04 -4.717652170e-04 5.46 -3.997087195e-04 -3.997087195e-04 5.48 -3.387726874e-04 -3.387726874e-04 5.50 -2.872453891e-04 -2.872453891e-04 5.52 -2.436720760e-04 -2.436720760e-04 5.54 -2.068190074e-04 -2.068190074e-04 5.56 -1.756416396e-04 -1.756416396e-04 5.58 -1.492567852e-04 -1.492567852e-04 5.60 -1.269184470e-04 -1.269184470e-04 5.62 -1.079969829e-04 -1.079969829e-04 5.64 -9.196123799e-05 -9.196123799e-05 5.66 -7.836328918e-05 -7.836328918e-05 5.68 -6.682546630e-05 -6.682546630e-05 5.70 -5.702934208e-05 -5.702934208e-05 5.72 -4.870641366e-05 -4.870641366e-05 5.74 -4.163023035e-05 -4.163023035e-05 5.76 -3.560975267e-05 -3.560975267e-05 5.78 -3.048375652e-05 -3.048375652e-05 5.80 -2.611612182e-05 -2.611612182e-05 5.82 -2.239186825e-05 -2.239186825e-05 5.84 -1.921382087e-05 -1.921382087e-05 5.86 -1.649980624e-05 -1.649980624e-05 5.88 -1.418029479e-05 -1.418029479e-05 5.90 -1.219641830e-05 -1.219641830e-05 5.92 -1.049830265e-05 -1.049830265e-05 5.94 -9.043665215e-06 -9.043665215e-06 5.96 -7.796634712e-06 -7.796634712e-06 5.98 -6.726757652e-06 -6.726757652e-06 6.00 -5.808161661e-06 -5.808161661e-06