# 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 = CoNi2Ta # 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 1.617443777e+02 1.617443777e+02 1.30 1.484932532e+02 1.484932532e+02 1.32 1.362841607e+02 1.362841607e+02 1.34 1.250268739e+02 1.250268739e+02 1.36 1.146433600e+02 1.146433600e+02 1.38 1.050662569e+02 1.050662569e+02 1.40 9.623614405e+01 9.623614405e+01 1.42 8.809893688e+01 8.809893688e+01 1.44 8.060363476e+01 8.060363476e+01 1.46 7.370058500e+01 7.370058500e+01 1.48 6.734081715e+01 6.734081715e+01 1.50 6.147665721e+01 6.147665721e+01 1.52 5.606312568e+01 5.606312568e+01 1.54 5.105934314e+01 5.105934314e+01 1.56 4.642932035e+01 4.642932035e+01 1.58 4.214191214e+01 4.214191214e+01 1.60 3.817020079e+01 3.817020079e+01 1.62 3.449074197e+01 3.449074197e+01 1.64 3.108286783e+01 3.108286783e+01 1.66 2.792803268e+01 2.792803268e+01 1.68 2.500923542e+01 2.500923542e+01 1.70 2.231396800e+01 2.231396800e+01 1.72 1.982956250e+01 1.982956250e+01 1.74 1.754100411e+01 1.754100411e+01 1.76 1.543460229e+01 1.543460229e+01 1.78 1.349725631e+01 1.349725631e+01 1.80 1.171675315e+01 1.171675315e+01 1.82 1.008214998e+01 1.008214998e+01 1.84 8.583639574e+00 8.583639574e+00 1.86 7.212243989e+00 7.212243989e+00 1.88 5.959445750e+00 5.959445750e+00 1.90 4.816875072e+00 4.816875072e+00 1.92 3.776135636e+00 3.776135636e+00 1.94 2.828796083e+00 2.828796083e+00 1.96 1.966523754e+00 1.966523754e+00 1.98 1.181305204e+00 1.181305204e+00 2.00 4.656870761e-01 4.656870761e-01 2.02 -1.870233913e-01 -1.870233913e-01 2.04 -7.826412210e-01 -7.826412210e-01 2.06 -1.326086380e+00 -1.326086380e+00 2.08 -1.821455217e+00 -1.821455217e+00 2.10 -2.272151457e+00 -2.272151457e+00 2.12 -2.681042336e+00 -2.681042336e+00 2.14 -3.050610283e+00 -3.050610283e+00 2.16 -3.383081400e+00 -3.383081400e+00 2.18 -3.680524489e+00 -3.680524489e+00 2.20 -3.944923847e+00 -3.944923847e+00 2.22 -4.178232496e+00 -4.178232496e+00 2.24 -4.382411212e+00 -4.382411212e+00 2.26 -4.559456797e+00 -4.559456797e+00 2.28 -4.711422589e+00 -4.711422589e+00 2.30 -4.840432202e+00 -4.840432202e+00 2.32 -4.948578624e+00 -4.948578624e+00 2.34 -5.038092927e+00 -5.038092927e+00 2.36 -5.111496481e+00 -5.111496481e+00 2.38 -5.171151953e+00 -5.171151953e+00 2.40 -5.219148761e+00 -5.219148761e+00 2.42 -5.257215274e+00 -5.257215274e+00 2.44 -5.286368502e+00 -5.286368502e+00 2.46 -5.307099927e+00 -5.307099927e+00 2.48 -5.319886830e+00 -5.319886830e+00 2.50 -5.325200690e+00 -5.325200690e+00 2.52 -5.323499614e+00 -5.323499614e+00 2.54 -5.315227369e+00 -5.315227369e+00 2.56 -5.300816567e+00 -5.300816567e+00 2.58 -5.280729870e+00 -5.280729870e+00 2.60 -5.255368430e+00 -5.255368430e+00 2.62 -5.225095744e+00 -5.225095744e+00 2.64 -5.190270781e+00 -5.190270781e+00 2.66 -5.151250656e+00 -5.151250656e+00 2.68 -5.108392188e+00 -5.108392188e+00 2.70 -5.062055931e+00 -5.062055931e+00 2.72 -5.012609349e+00 -5.012609349e+00 2.74 -4.960410065e+00 -4.960410065e+00 2.76 -4.905760365e+00 -4.905760365e+00 2.78 -4.848847918e+00 -4.848847918e+00 2.80 -4.789687499e+00 -4.789687499e+00 2.82 -4.728307633e+00 -4.728307633e+00 2.84 -4.664757894e+00 -4.664757894e+00 2.86 -4.599098725e+00 -4.599098725e+00 2.88 -4.531397045e+00 -4.531397045e+00 2.90 -4.461725613e+00 -4.461725613e+00 2.92 -4.390164112e+00 -4.390164112e+00 2.94 -4.316800545e+00 -4.316800545e+00 2.96 -4.241732200e+00 -4.241732200e+00 2.98 -4.165065876e+00 -4.165065876e+00 3.00 -4.086917194e+00 -4.086917194e+00 3.02 -4.007408812e+00 -4.007408812e+00 3.04 -3.926667477e+00 -3.926667477e+00 3.06 -3.844820157e+00 -3.844820157e+00 3.08 -3.761990031e+00 -3.761990031e+00 3.10 -3.678293530e+00 -3.678293530e+00 3.12 -3.593839532e+00 -3.593839532e+00 3.14 -3.508731361e+00 -3.508731361e+00 3.16 -3.423071349e+00 -3.423071349e+00 3.18 -3.336967087e+00 -3.336967087e+00 3.20 -3.250538089e+00 -3.250538089e+00 3.22 -3.163921571e+00 -3.163921571e+00 3.24 -3.077276223e+00 -3.077276223e+00 3.26 -2.990783162e+00 -2.990783162e+00 3.28 -2.904643574e+00 -2.904643574e+00 3.30 -2.819073017e+00 -2.819073017e+00 3.32 -2.734292761e+00 -2.734292761e+00 3.34 -2.650519048e+00 -2.650519048e+00 3.36 -2.567951477e+00 -2.567951477e+00 3.38 -2.486761883e+00 -2.486761883e+00 3.40 -2.407085033e+00 -2.407085033e+00 3.42 -2.329012160e+00 -2.329012160e+00 3.44 -2.252587916e+00 -2.252587916e+00 3.46 -2.177810862e+00 -2.177810862e+00 3.48 -2.104637160e+00 -2.104637160e+00 3.50 -2.032986837e+00 -2.032986837e+00 3.52 -1.962751846e+00 -1.962751846e+00 3.54 -1.893805121e+00 -1.893805121e+00 3.56 -1.826009916e+00 -1.826009916e+00 3.58 -1.759228871e+00 -1.759228871e+00 3.60 -1.693332410e+00 -1.693332410e+00 3.62 -1.628206223e+00 -1.628206223e+00 3.64 -1.563757740e+00 -1.563757740e+00 3.66 -1.499921526e+00 -1.499921526e+00 3.68 -1.436663612e+00 -1.436663612e+00 3.70 -1.373984709e+00 -1.373984709e+00 3.72 -1.311922227e+00 -1.311922227e+00 3.74 -1.250550940e+00 -1.250550940e+00 3.76 -1.189982080e+00 -1.189982080e+00 3.78 -1.130360645e+00 -1.130360645e+00 3.80 -1.071860723e+00 -1.071860723e+00 3.82 -1.014678762e+00 -1.014678762e+00 3.84 -9.590249007e-01 -9.590249007e-01 3.86 -9.051127121e-01 -9.051127121e-01 3.88 -8.531479907e-01 -8.531479907e-01 3.90 -8.033174534e-01 -8.033174534e-01 3.92 -7.557783715e-01 -7.557783715e-01 3.94 -7.106501393e-01 -7.106501393e-01 3.96 -6.680085944e-01 -6.680085944e-01 3.98 -6.278835513e-01 -6.278835513e-01 4.00 -5.902595757e-01 -5.902595757e-01 4.02 -5.550796128e-01 -5.550796128e-01 4.04 -5.222507766e-01 -5.222507766e-01 4.06 -4.916514670e-01 -4.916514670e-01 4.08 -4.631389961e-01 -4.631389961e-01 4.10 -4.365570418e-01 -4.365570418e-01 4.12 -4.117424481e-01 -4.117424481e-01 4.14 -3.885310844e-01 -3.885310844e-01 4.16 -3.667626638e-01 -3.667626638e-01 4.18 -3.462845250e-01 -3.462845250e-01 4.20 -3.269544668e-01 -3.269544668e-01 4.22 -3.086427477e-01 -3.086427477e-01 4.24 -2.912333713e-01 -2.912333713e-01 4.26 -2.746247734e-01 -2.746247734e-01 4.28 -2.587300223e-01 -2.587300223e-01 4.30 -2.434766462e-01 -2.434766462e-01 4.32 -2.288061994e-01 -2.288061994e-01 4.34 -2.146736695e-01 -2.146736695e-01 4.36 -2.010467980e-01 -2.010467980e-01 4.38 -1.879053309e-01 -1.879053309e-01 4.40 -1.752401526e-01 -1.752401526e-01 4.42 -1.630522011e-01 -1.630522011e-01 4.44 -1.513510388e-01 -1.513510388e-01 4.46 -1.401529818e-01 -1.401529818e-01 4.48 -1.294787693e-01 -1.294787693e-01 4.50 -1.193508602e-01 -1.193508602e-01 4.52 -1.097905588e-01 -1.097905588e-01 4.54 -1.008152412e-01 -1.008152412e-01 4.56 -9.243598072e-02 -9.243598072e-02 4.58 -8.465582074e-02 -8.465582074e-02 4.60 -7.746885050e-02 -7.746885050e-02 4.62 -7.086011231e-02 -7.086011231e-02 4.64 -6.480627962e-02 -6.480627962e-02 4.66 -5.927692290e-02 -5.927692290e-02 4.68 -5.423615384e-02 -5.423615384e-02 4.70 -4.964442803e-02 -4.964442803e-02 4.72 -4.546034122e-02 -4.546034122e-02 4.74 -4.164192436e-02 -4.164192436e-02 4.76 -3.814885062e-02 -3.814885062e-02 4.78 -3.494345354e-02 -3.494345354e-02 4.80 -3.199112907e-02 -3.199112907e-02 4.82 -2.926103208e-02 -2.926103208e-02 4.84 -2.672649851e-02 -2.672649851e-02 4.86 -2.436522760e-02 -2.436522760e-02 4.88 -2.215924937e-02 -2.215924937e-02 4.90 -2.009470037e-02 -2.009470037e-02 4.92 -1.816142821e-02 -1.816142821e-02 4.94 -1.635245008e-02 -1.635245008e-02 4.96 -1.466317937e-02 -1.466317937e-02 4.98 -1.309079565e-02 -1.309079565e-02 5.00 -1.163381937e-02 -1.163381937e-02 5.02 -1.029112759e-02 -1.029112759e-02 5.04 -9.061359537e-03 -9.061359537e-03 5.06 -7.942472557e-03 -7.942472557e-03 5.08 -6.931463115e-03 -6.931463115e-03 5.10 -6.024252545e-03 -6.024252545e-03 5.12 -5.215717894e-03 -5.215717894e-03 5.14 -4.499834560e-03 -4.499834560e-03 5.16 -3.869891218e-03 -3.869891218e-03 5.18 -3.318738330e-03 -3.318738330e-03 5.20 -2.839037507e-03 -2.839037507e-03 5.22 -2.423487704e-03 -2.423487704e-03 5.24 -2.065013582e-03 -2.065013582e-03 5.26 -1.756909618e-03 -1.756909618e-03 5.28 -1.492939911e-03 -1.492939911e-03 5.30 -1.267397881e-03 -1.267397881e-03 5.32 -1.075132336e-03 -1.075132336e-03 5.34 -9.115472095e-04 -9.115472095e-04 5.36 -7.725820386e-04 -7.725820386e-04 5.38 -6.546794367e-04 -6.546794367e-04 5.40 -5.547447219e-04 -5.547447219e-04 5.42 -4.701017183e-04 -4.701017183e-04 5.44 -3.984476943e-04 -3.984476943e-04 5.46 -3.378095006e-04 -3.378095006e-04 5.48 -2.865022449e-04 -2.865022449e-04 5.50 -2.430912822e-04 -2.430912822e-04 5.52 -2.063578931e-04 -2.063578931e-04 5.54 -1.752687325e-04 -1.752687325e-04 5.56 -1.489489451e-04 -1.489489451e-04 5.58 -1.266587205e-04 -1.266587205e-04 5.60 -1.077729997e-04 -1.077729997e-04 5.62 -9.176401462e-05 -9.176401462e-05 5.64 -7.818633688e-05 -7.818633688e-05 5.66 -6.666412744e-05 -6.666412744e-05 5.68 -5.688029665e-05 -5.688029665e-05 5.70 -4.856731315e-05 -4.856731315e-05 5.72 -4.149942671e-05 -4.149942671e-05 5.74 -3.548609835e-05 -3.548609835e-05 5.76 -3.036645744e-05 -3.036645744e-05 5.78 -2.600462978e-05 -2.600462978e-05 5.80 -2.228580277e-05 -2.228580277e-05 5.82 -1.911291283e-05 -1.911291283e-05 5.84 -1.640385774e-05 -1.640385774e-05 5.86 -1.408915092e-05 -1.408915092e-05 5.88 -1.210994770e-05 -1.210994770e-05 5.90 -1.041638447e-05 -1.041638447e-05 5.92 -8.966180748e-06 -8.966180748e-06 5.94 -7.723462273e-06 -7.723462273e-06 5.96 -6.657769866e-06 -6.657769866e-06 5.98 -5.743224331e-06 -5.743224331e-06 6.00 -4.957822559e-06 -4.957822559e-06