# 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 = Al2MgPt # 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 2.020235608e+02 2.020235608e+02 1.30 1.879849126e+02 1.879849126e+02 1.32 1.748987180e+02 1.748987180e+02 1.34 1.626983016e+02 1.626983016e+02 1.36 1.513256653e+02 1.513256653e+02 1.38 1.407226842e+02 1.407226842e+02 1.40 1.308278287e+02 1.308278287e+02 1.42 1.215795050e+02 1.215795050e+02 1.44 1.129220083e+02 1.129220083e+02 1.46 1.048098618e+02 1.048098618e+02 1.48 9.720805703e+01 9.720805703e+01 1.50 9.008828197e+01 9.008828197e+01 1.52 8.342383127e+01 8.342383127e+01 1.54 7.718637036e+01 7.718637036e+01 1.56 7.134556917e+01 7.134556917e+01 1.58 6.587052529e+01 6.587052529e+01 1.60 6.073151454e+01 6.073151454e+01 1.62 5.590300153e+01 5.590300153e+01 1.64 5.140757144e+01 5.140757144e+01 1.66 4.724130104e+01 4.724130104e+01 1.68 4.338371445e+01 4.338371445e+01 1.70 3.981552418e+01 3.981552418e+01 1.72 3.651747629e+01 3.651747629e+01 1.74 3.347081250e+01 3.347081250e+01 1.76 3.065683154e+01 3.065683154e+01 1.78 2.805698518e+01 2.805698518e+01 1.80 2.565339339e+01 2.565339339e+01 1.82 2.342942862e+01 2.342942862e+01 1.84 2.137002339e+01 2.137002339e+01 1.86 1.946163260e+01 1.946163260e+01 1.88 1.769201884e+01 1.769201884e+01 1.90 1.605007887e+01 1.605007887e+01 1.92 1.452578645e+01 1.452578645e+01 1.94 1.311019363e+01 1.311019363e+01 1.96 1.179538276e+01 1.179538276e+01 1.98 1.057433138e+01 1.057433138e+01 2.00 9.440726013e+00 9.440726013e+00 2.02 8.388789907e+00 8.388789907e+00 2.04 7.413166235e+00 7.413166235e+00 2.06 6.508850171e+00 6.508850171e+00 2.08 5.671138375e+00 5.671138375e+00 2.10 4.895575954e+00 4.895575954e+00 2.12 4.177909425e+00 4.177909425e+00 2.14 3.514062654e+00 3.514062654e+00 2.16 2.900146528e+00 2.900146528e+00 2.18 2.332494353e+00 2.332494353e+00 2.20 1.807706847e+00 1.807706847e+00 2.22 1.322686541e+00 1.322686541e+00 2.24 8.746535647e-01 8.746535647e-01 2.26 4.611410690e-01 4.611410690e-01 2.28 7.997424781e-02 7.997424781e-02 2.30 -2.707608283e-01 -2.707608283e-01 2.32 -5.927571740e-01 -5.927571740e-01 2.34 -8.875299201e-01 -8.875299201e-01 2.36 -1.156462947e+00 -1.156462947e+00 2.38 -1.400927624e+00 -1.400927624e+00 2.40 -1.623151358e+00 -1.623151358e+00 2.42 -1.824437058e+00 -1.824437058e+00 2.44 -2.005759021e+00 -2.005759021e+00 2.46 -2.168148883e+00 -2.168148883e+00 2.48 -2.312695210e+00 -2.312695210e+00 2.50 -2.440544641e+00 -2.440544641e+00 2.52 -2.552905992e+00 -2.552905992e+00 2.54 -2.651054011e+00 -2.651054011e+00 2.56 -2.736326056e+00 -2.736326056e+00 2.58 -2.810104731e+00 -2.810104731e+00 2.60 -2.873781864e+00 -2.873781864e+00 2.62 -2.928703943e+00 -2.928703943e+00 2.64 -2.976106725e+00 -2.976106725e+00 2.66 -3.017051210e+00 -3.017051210e+00 2.68 -3.052379828e+00 -3.052379828e+00 2.70 -3.082702406e+00 -3.082702406e+00 2.72 -3.108413958e+00 -3.108413958e+00 2.74 -3.130147638e+00 -3.130147638e+00 2.76 -3.148782909e+00 -3.148782909e+00 2.78 -3.163983579e+00 -3.163983579e+00 2.80 -3.175405631e+00 -3.175405631e+00 2.82 -3.182762017e+00 -3.182762017e+00 2.84 -3.185830963e+00 -3.185830963e+00 2.86 -3.184461306e+00 -3.184461306e+00 2.88 -3.178577636e+00 -3.178577636e+00 2.90 -3.168185834e+00 -3.168185834e+00 2.92 -3.153378711e+00 -3.153378711e+00 2.94 -3.134348787e+00 -3.134348787e+00 2.96 -3.111391337e+00 -3.111391337e+00 2.98 -3.084878570e+00 -3.084878570e+00 3.00 -3.055242164e+00 -3.055242164e+00 3.02 -3.022950814e+00 -3.022950814e+00 3.04 -2.988484303e+00 -2.988484303e+00 3.06 -2.952309117e+00 -2.952309117e+00 3.08 -2.914854576e+00 -2.914854576e+00 3.10 -2.876496760e+00 -2.876496760e+00 3.12 -2.837546809e+00 -2.837546809e+00 3.14 -2.798246737e+00 -2.798246737e+00 3.16 -2.758769933e+00 -2.758769933e+00 3.18 -2.719228737e+00 -2.719228737e+00 3.20 -2.679684939e+00 -2.679684939e+00 3.22 -2.640162300e+00 -2.640162300e+00 3.24 -2.600659033e+00 -2.600659033e+00 3.26 -2.561160928e+00 -2.561160928e+00 3.28 -2.521670272e+00 -2.521670272e+00 3.30 -2.482198338e+00 -2.482198338e+00 3.32 -2.442753814e+00 -2.442753814e+00 3.34 -2.403346069e+00 -2.403346069e+00 3.36 -2.363987025e+00 -2.363987025e+00 3.38 -2.324692059e+00 -2.324692059e+00 3.40 -2.285480354e+00 -2.285480354e+00 3.42 -2.246375209e+00 -2.246375209e+00 3.44 -2.207403777e+00 -2.207403777e+00 3.46 -2.168598270e+00 -2.168598270e+00 3.48 -2.130003855e+00 -2.130003855e+00 3.50 -2.091652702e+00 -2.091652702e+00 3.52 -2.053575682e+00 -2.053575682e+00 3.54 -2.015805300e+00 -2.015805300e+00 3.56 -1.978374264e+00 -1.978374264e+00 3.58 -1.941314095e+00 -1.941314095e+00 3.60 -1.904653835e+00 -1.904653835e+00 3.62 -1.868418932e+00 -1.868418932e+00 3.64 -1.832630329e+00 -1.832630329e+00 3.66 -1.797303782e+00 -1.797303782e+00 3.68 -1.762449221e+00 -1.762449221e+00 3.70 -1.728065210e+00 -1.728065210e+00 3.72 -1.694135865e+00 -1.694135865e+00 3.74 -1.660641068e+00 -1.660641068e+00 3.76 -1.627557374e+00 -1.627557374e+00 3.78 -1.594858332e+00 -1.594858332e+00 3.80 -1.562514934e+00 -1.562514934e+00 3.82 -1.530496163e+00 -1.530496163e+00 3.84 -1.498769559e+00 -1.498769559e+00 3.86 -1.467301785e+00 -1.467301785e+00 3.88 -1.436059119e+00 -1.436059119e+00 3.90 -1.405007878e+00 -1.405007878e+00 3.92 -1.374114686e+00 -1.374114686e+00 3.94 -1.343347112e+00 -1.343347112e+00 3.96 -1.312673456e+00 -1.312673456e+00 3.98 -1.282063503e+00 -1.282063503e+00 4.00 -1.251488936e+00 -1.251488936e+00 4.02 -1.220924035e+00 -1.220924035e+00 4.04 -1.190346623e+00 -1.190346623e+00 4.06 -1.159739261e+00 -1.159739261e+00 4.08 -1.129090715e+00 -1.129090715e+00 4.10 -1.098397324e+00 -1.098397324e+00 4.12 -1.067665942e+00 -1.067665942e+00 4.14 -1.036913741e+00 -1.036913741e+00 4.16 -1.006170920e+00 -1.006170920e+00 4.18 -9.754812198e-01 -9.754812198e-01 4.20 -9.449020567e-01 -9.449020567e-01 4.22 -9.145037361e-01 -9.145037361e-01 4.24 -8.843676820e-01 -8.843676820e-01 4.26 -8.545836953e-01 -8.545836953e-01 4.28 -8.252463775e-01 -8.252463775e-01 4.30 -7.964509493e-01 -7.964509493e-01 4.32 -7.682887660e-01 -7.682887660e-01 4.34 -7.408428754e-01 -7.408428754e-01 4.36 -7.141839717e-01 -7.141839717e-01 4.38 -6.883670697e-01 -6.883670697e-01 4.40 -6.634291562e-01 -6.634291562e-01 4.42 -6.393879739e-01 -6.393879739e-01 4.44 -6.162419733e-01 -6.162419733e-01 4.46 -5.939713415e-01 -5.939713415e-01 4.48 -5.725399212e-01 -5.725399212e-01 4.50 -5.518977642e-01 -5.518977642e-01 4.52 -5.319840531e-01 -5.319840531e-01 4.54 -5.127301416e-01 -5.127301416e-01 4.56 -4.940625218e-01 -4.940625218e-01 4.58 -4.759055887e-01 -4.759055887e-01 4.60 -4.581841365e-01 -4.581841365e-01 4.62 -4.408255744e-01 -4.408255744e-01 4.64 -4.237618822e-01 -4.237618822e-01 4.66 -4.069313409e-01 -4.069313409e-01 4.68 -3.902800732e-01 -3.902800732e-01 4.70 -3.737634119e-01 -3.737634119e-01 4.72 -3.573470912e-01 -3.573470912e-01 4.74 -3.410082308e-01 -3.410082308e-01 4.76 -3.247360576e-01 -3.247360576e-01 4.78 -3.085322971e-01 -3.085322971e-01 4.80 -2.924109795e-01 -2.924109795e-01 4.82 -2.763987394e-01 -2.763987394e-01 4.84 -2.605326534e-01 -2.605326534e-01 4.86 -2.448596415e-01 -2.448596415e-01 4.88 -2.294343719e-01 -2.294343719e-01 4.90 -2.143170419e-01 -2.143170419e-01 4.92 -1.995709310e-01 -1.995709310e-01 4.94 -1.852598594e-01 -1.852598594e-01 4.96 -1.714456838e-01 -1.714456838e-01 4.98 -1.581859574e-01 -1.581859574e-01 5.00 -1.455318573e-01 -1.455318573e-01 5.02 -1.335264697e-01 -1.335264697e-01 5.04 -1.222034935e-01 -1.222034935e-01 5.06 -1.115864079e-01 -1.115864079e-01 5.08 -1.016881185e-01 -1.016881185e-01 5.10 -9.251107306e-02 -9.251107306e-02 5.12 -8.404780794e-02 -8.404780794e-02 5.14 -7.628186965e-02 -7.628186965e-02 5.16 -6.918901012e-02 -6.918901012e-02 5.18 -6.273856977e-02 -6.273856977e-02 5.20 -5.689494843e-02 -5.689494843e-02 5.22 -5.161907081e-02 -5.161907081e-02 5.24 -4.686976117e-02 -4.686976117e-02 5.26 -4.260498436e-02 -4.260498436e-02 5.28 -3.878291143e-02 -3.878291143e-02 5.30 -3.536275670e-02 -3.536275670e-02 5.32 -3.230546083e-02 -3.230546083e-02 5.34 -2.957417823e-02 -2.957417823e-02 5.36 -2.713457294e-02 -2.713457294e-02 5.38 -2.495423857e-02 -2.495423857e-02 5.40 -2.300442457e-02 -2.300442457e-02 5.42 -2.126003634e-02 -2.126003634e-02 5.44 -1.969772058e-02 -1.969772058e-02 5.46 -1.829611611e-02 -1.829611611e-02 5.48 -1.703632867e-02 -1.703632867e-02 5.50 -1.590163334e-02 -1.590163334e-02 5.52 -1.487726625e-02 -1.487726625e-02 5.54 -1.395022439e-02 -1.395022439e-02 5.56 -1.310907413e-02 -1.310907413e-02 5.58 -1.234377224e-02 -1.234377224e-02 5.60 -1.164550162e-02 -1.164550162e-02 5.62 -1.100652266e-02 -1.100652266e-02 5.64 -1.042004030e-02 -1.042004030e-02 5.66 -9.880086021e-03 -9.880086021e-03 5.68 -9.381413857e-03 -9.381413857e-03 5.70 -8.919409003e-03 -8.919409003e-03 5.72 -8.490007811e-03 -8.490007811e-03 5.74 -8.089627777e-03 -8.089627777e-03 5.76 -7.715106368e-03 -7.715106368e-03 5.78 -7.363647571e-03 -7.363647571e-03 5.80 -7.032775254e-03 -7.032775254e-03 5.82 -6.720292515e-03 -6.720292515e-03 5.84 -6.424246352e-03 -6.424246352e-03 5.86 -6.142897054e-03 -6.142897054e-03 5.88 -5.874691853e-03 -5.874691853e-03 5.90 -5.618242392e-03 -5.618242392e-03 5.92 -5.372305677e-03 -5.372305677e-03 5.94 -5.135768207e-03 -5.135768207e-03 5.96 -4.907633002e-03 -4.907633002e-03 5.98 -4.687009311e-03 -4.687009311e-03 6.00 -4.473104760e-03 -4.473104760e-03