# 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 = MgMo2Ti # 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 3.573379964e+02 3.573379964e+02 1.30 3.309902146e+02 3.309902146e+02 1.32 3.066337351e+02 3.066337351e+02 1.34 2.841008905e+02 2.841008905e+02 1.36 2.632362023e+02 2.632362023e+02 1.38 2.438971943e+02 2.438971943e+02 1.40 2.259552689e+02 2.259552689e+02 1.42 2.092958957e+02 2.092958957e+02 1.44 1.938179375e+02 1.938179375e+02 1.46 1.794321695e+02 1.794321695e+02 1.48 1.660592605e+02 1.660592605e+02 1.50 1.536277907e+02 1.536277907e+02 1.52 1.420727660e+02 1.420727660e+02 1.54 1.313346783e+02 1.313346783e+02 1.56 1.213588872e+02 1.213588872e+02 1.58 1.120950111e+02 1.120950111e+02 1.60 1.034961735e+02 1.034961735e+02 1.62 9.551822356e+01 9.551822356e+01 1.64 8.811911625e+01 8.811911625e+01 1.66 8.125851225e+01 8.125851225e+01 1.68 7.489760721e+01 7.489760721e+01 1.70 6.899920808e+01 6.899920808e+01 1.72 6.352799434e+01 6.352799434e+01 1.74 5.845080357e+01 5.845080357e+01 1.76 5.373678145e+01 5.373678145e+01 1.78 4.935801089e+01 4.935801089e+01 1.80 4.529247134e+01 4.529247134e+01 1.82 4.151672636e+01 4.151672636e+01 1.84 3.800855189e+01 3.800855189e+01 1.86 3.474830377e+01 3.474830377e+01 1.88 3.171865847e+01 3.171865847e+01 1.90 2.890422678e+01 2.890422678e+01 1.92 2.629114034e+01 2.629114034e+01 1.94 2.386665151e+01 2.386665151e+01 1.96 2.161882749e+01 2.161882749e+01 1.98 1.953636043e+01 1.953636043e+01 2.00 1.760845446e+01 1.760845446e+01 2.02 1.582474100e+01 1.582474100e+01 2.04 1.417520820e+01 1.417520820e+01 2.06 1.265016003e+01 1.265016003e+01 2.08 1.124022528e+01 1.124022528e+01 2.10 9.936420133e+00 9.936420133e+00 2.12 8.730245965e+00 8.730245965e+00 2.14 7.613793403e+00 7.613793403e+00 2.16 6.579825787e+00 6.579825787e+00 2.18 5.621818969e+00 5.621818969e+00 2.20 4.733949291e+00 4.733949291e+00 2.22 3.911032400e+00 3.911032400e+00 2.24 3.148434579e+00 3.148434579e+00 2.26 2.441980397e+00 2.441980397e+00 2.28 1.787874026e+00 1.787874026e+00 2.30 1.182642588e+00 1.182642588e+00 2.32 6.230923248e-01 6.230923248e-01 2.34 1.062785202e-01 1.062785202e-01 2.36 -3.705225967e-01 -3.705225967e-01 2.38 -8.098382318e-01 -8.098382318e-01 2.40 -1.214022938e+00 -1.214022938e+00 2.42 -1.585280834e+00 -1.585280834e+00 2.44 -1.925682074e+00 -1.925682074e+00 2.46 -2.237173495e+00 -2.237173495e+00 2.48 -2.521582259e+00 -2.521582259e+00 2.50 -2.780614952e+00 -2.780614952e+00 2.52 -3.015854504e+00 -3.015854504e+00 2.54 -3.228755464e+00 -3.228755464e+00 2.56 -3.420429352e+00 -3.420429352e+00 2.58 -3.592124972e+00 -3.592124972e+00 2.60 -3.745182750e+00 -3.745182750e+00 2.62 -3.880808871e+00 -3.880808871e+00 2.64 -4.000101523e+00 -4.000101523e+00 2.66 -4.104074533e+00 -4.104074533e+00 2.68 -4.193680840e+00 -4.193680840e+00 2.70 -4.269846143e+00 -4.269846143e+00 2.72 -4.333370476e+00 -4.333370476e+00 2.74 -4.384576367e+00 -4.384576367e+00 2.76 -4.423755544e+00 -4.423755544e+00 2.78 -4.451260451e+00 -4.451260451e+00 2.80 -4.467493723e+00 -4.467493723e+00 2.82 -4.472900152e+00 -4.472900152e+00 2.84 -4.467964832e+00 -4.467964832e+00 2.86 -4.453214692e+00 -4.453214692e+00 2.88 -4.429194624e+00 -4.429194624e+00 2.90 -4.396431611e+00 -4.396431611e+00 2.92 -4.355516033e+00 -4.355516033e+00 2.94 -4.307114661e+00 -4.307114661e+00 2.96 -4.251964000e+00 -4.251964000e+00 2.98 -4.190857417e+00 -4.190857417e+00 3.00 -4.124625177e+00 -4.124625177e+00 3.02 -4.054107286e+00 -4.054107286e+00 3.04 -3.980120320e+00 -3.980120320e+00 3.06 -3.903422488e+00 -3.903422488e+00 3.08 -3.824679343e+00 -3.824679343e+00 3.10 -3.744439311e+00 -3.744439311e+00 3.12 -3.663120208e+00 -3.663120208e+00 3.14 -3.581011220e+00 -3.581011220e+00 3.16 -3.498283759e+00 -3.498283759e+00 3.18 -3.415014097e+00 -3.415014097e+00 3.20 -3.331208295e+00 -3.331208295e+00 3.22 -3.246828072e+00 -3.246828072e+00 3.24 -3.161814909e+00 -3.161814909e+00 3.26 -3.076111228e+00 -3.076111228e+00 3.28 -2.989678258e+00 -2.989678258e+00 3.30 -2.902510550e+00 -2.902510550e+00 3.32 -2.814647254e+00 -2.814647254e+00 3.34 -2.726180200e+00 -2.726180200e+00 3.36 -2.637261210e+00 -2.637261210e+00 3.38 -2.548139155e+00 -2.548139155e+00 3.40 -2.459017416e+00 -2.459017416e+00 3.42 -2.370129520e+00 -2.370129520e+00 3.44 -2.281774456e+00 -2.281774456e+00 3.46 -2.194265520e+00 -2.194265520e+00 3.48 -2.107763850e+00 -2.107763850e+00 3.50 -2.022458428e+00 -2.022458428e+00 3.52 -1.938625723e+00 -1.938625723e+00 3.54 -1.856598412e+00 -1.856598412e+00 3.56 -1.776731758e+00 -1.776731758e+00 3.58 -1.699371182e+00 -1.699371182e+00 3.60 -1.624824355e+00 -1.624824355e+00 3.62 -1.553340276e+00 -1.553340276e+00 3.64 -1.485096640e+00 -1.485096640e+00 3.66 -1.420195513e+00 -1.420195513e+00 3.68 -1.358666182e+00 -1.358666182e+00 3.70 -1.300473341e+00 -1.300473341e+00 3.72 -1.245528484e+00 -1.245528484e+00 3.74 -1.193702563e+00 -1.193702563e+00 3.76 -1.144838384e+00 -1.144838384e+00 3.78 -1.098761711e+00 -1.098761711e+00 3.80 -1.055290550e+00 -1.055290550e+00 3.82 -1.014242418e+00 -1.014242418e+00 3.84 -9.754396745e-01 -9.754396745e-01 3.86 -9.387131105e-01 -9.387131105e-01 3.88 -9.039041027e-01 -9.039041027e-01 3.90 -8.708656331e-01 -8.708656331e-01 3.92 -8.394623505e-01 -8.394623505e-01 3.94 -8.095708491e-01 -8.095708491e-01 3.96 -7.810780834e-01 -7.810780834e-01 3.98 -7.538812959e-01 -7.538812959e-01 4.00 -7.278870654e-01 -7.278870654e-01 4.02 -7.030105728e-01 -7.030105728e-01 4.04 -6.791749174e-01 -6.791749174e-01 4.06 -6.563104793e-01 -6.563104793e-01 4.08 -6.343543163e-01 -6.343543163e-01 4.10 -6.132491438e-01 -6.132491438e-01 4.12 -5.929446291e-01 -5.929446291e-01 4.14 -5.733939243e-01 -5.733939243e-01 4.16 -5.545552208e-01 -5.545552208e-01 4.18 -5.363907105e-01 -5.363907105e-01 4.20 -5.188661300e-01 -5.188661300e-01 4.22 -5.019503402e-01 -5.019503402e-01 4.24 -4.856149417e-01 -4.856149417e-01 4.26 -4.698339276e-01 -4.698339276e-01 4.28 -4.545833740e-01 -4.545833740e-01 4.30 -4.398411663e-01 -4.398411663e-01 4.32 -4.255867590e-01 -4.255867590e-01 4.34 -4.118009688e-01 -4.118009688e-01 4.36 -3.984657945e-01 -3.984657945e-01 4.38 -3.855642638e-01 -3.855642638e-01 4.40 -3.730803016e-01 -3.730803016e-01 4.42 -3.609986182e-01 -3.609986182e-01 4.44 -3.493046127e-01 -3.493046127e-01 4.46 -3.379842912e-01 -3.379842912e-01 4.48 -3.270241956e-01 -3.270241956e-01 4.50 -3.164113417e-01 -3.164113417e-01 4.52 -3.061331663e-01 -3.061331663e-01 4.54 -2.961774795e-01 -2.961774795e-01 4.56 -2.865324247e-01 -2.865324247e-01 4.58 -2.771864429e-01 -2.771864429e-01 4.60 -2.681282434e-01 -2.681282434e-01 4.62 -2.593467793e-01 -2.593467793e-01 4.64 -2.508312310e-01 -2.508312310e-01 4.66 -2.425709953e-01 -2.425709953e-01 4.68 -2.345556850e-01 -2.345556850e-01 4.70 -2.267751384e-01 -2.267751384e-01 4.72 -2.192194416e-01 -2.192194416e-01 4.74 -2.118789659e-01 -2.118789659e-01 4.76 -2.047444219e-01 -2.047444219e-01 4.78 -1.978069324e-01 -1.978069324e-01 4.80 -1.910578824e-01 -1.910578824e-01 4.82 -1.844900410e-01 -1.844900410e-01 4.84 -1.780960925e-01 -1.780960925e-01 4.86 -1.718698710e-01 -1.718698710e-01 4.88 -1.658062498e-01 -1.658062498e-01 4.90 -1.599012332e-01 -1.599012332e-01 4.92 -1.541520391e-01 -1.541520391e-01 4.94 -1.485571375e-01 -1.485571375e-01 4.96 -1.431162092e-01 -1.431162092e-01 4.98 -1.378300297e-01 -1.378300297e-01 5.00 -1.327002620e-01 -1.327002620e-01 5.02 -1.277291615e-01 -1.277291615e-01 5.04 -1.229192145e-01 -1.229192145e-01 5.06 -1.182727397e-01 -1.182727397e-01 5.08 -1.137912726e-01 -1.137912726e-01 5.10 -1.094751252e-01 -1.094751252e-01 5.12 -1.053243256e-01 -1.053243256e-01 5.14 -1.013374910e-01 -1.013374910e-01 5.16 -9.751170845e-02 -9.751170845e-02 5.18 -9.384261012e-02 -9.384261012e-02 5.20 -9.032454187e-02 -9.032454187e-02 5.22 -8.695079542e-02 -8.695079542e-02 5.24 -8.371387272e-02 -8.371387272e-02 5.26 -8.060575414e-02 -8.060575414e-02 5.28 -7.761814892e-02 -7.761814892e-02 5.30 -7.474271312e-02 -7.474271312e-02 5.32 -7.197122763e-02 -7.197122763e-02 5.34 -6.929573424e-02 -6.929573424e-02 5.36 -6.670863217e-02 -6.670863217e-02 5.38 -6.420273963e-02 -6.420273963e-02 5.40 -6.177132656e-02 -6.177132656e-02 5.42 -5.940812536e-02 -5.940812536e-02 5.44 -5.710732629e-02 -5.710732629e-02 5.46 -5.486356425e-02 -5.486356425e-02 5.48 -5.267190350e-02 -5.267190350e-02 5.50 -5.052782626e-02 -5.052782626e-02 5.52 -4.842723257e-02 -4.842723257e-02 5.54 -4.636645210e-02 -4.636645210e-02 5.56 -4.434227345e-02 -4.434227345e-02 5.58 -4.235199132e-02 -4.235199132e-02 5.60 -4.039346939e-02 -4.039346939e-02 5.62 -3.846521445e-02 -3.846521445e-02 5.64 -3.656645443e-02 -3.656645443e-02 5.66 -3.469721081e-02 -3.469721081e-02 5.68 -3.285835452e-02 -3.285835452e-02 5.70 -3.105162958e-02 -3.105162958e-02 5.72 -2.927964156e-02 -2.927964156e-02 5.74 -2.754579660e-02 -2.754579660e-02 5.76 -2.585418700e-02 -2.585418700e-02 5.78 -2.420942466e-02 -2.420942466e-02 5.80 -2.261642884e-02 -2.261642884e-02 5.82 -2.108018101e-02 -2.108018101e-02 5.84 -1.960546401e-02 -1.960546401e-02 5.86 -1.819660624e-02 -1.819660624e-02 5.88 -1.685721479e-02 -1.685721479e-02 5.90 -1.558990007e-02 -1.558990007e-02 5.92 -1.439649178e-02 -1.439649178e-02 5.94 -1.327777217e-02 -1.327777217e-02 5.96 -1.223344416e-02 -1.223344416e-02 5.98 -1.126219424e-02 -1.126219424e-02 6.00 -1.036180405e-02 -1.036180405e-02