# 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 = MgMoTi2 # 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 3.410822260e+02 3.410822260e+02 1.30 3.159746925e+02 3.159746925e+02 1.32 2.927617350e+02 2.927617350e+02 1.34 2.712859866e+02 2.712859866e+02 1.36 2.514021723e+02 2.514021723e+02 1.38 2.329778459e+02 2.329778459e+02 1.40 2.158932066e+02 2.158932066e+02 1.42 2.000402876e+02 2.000402876e+02 1.44 1.853221996e+02 1.853221996e+02 1.46 1.716523423e+02 1.716523423e+02 1.48 1.589530833e+02 1.589530833e+02 1.50 1.471540942e+02 1.471540942e+02 1.52 1.361909678e+02 1.361909678e+02 1.54 1.260044192e+02 1.260044192e+02 1.56 1.165399536e+02 1.165399536e+02 1.58 1.077476074e+02 1.077476074e+02 1.60 9.958144234e+01 9.958144234e+01 1.62 9.199884161e+01 9.199884161e+01 1.64 8.495983068e+01 8.495983068e+01 1.66 7.842650844e+01 7.842650844e+01 1.68 7.236264014e+01 7.236264014e+01 1.70 6.673354525e+01 6.673354525e+01 1.72 6.150633049e+01 6.150633049e+01 1.74 5.665029439e+01 5.665029439e+01 1.76 5.213719365e+01 5.213719365e+01 1.78 4.794123044e+01 4.794123044e+01 1.80 4.403987289e+01 4.403987289e+01 1.82 4.041369136e+01 4.041369136e+01 1.84 3.704300638e+01 3.704300638e+01 1.86 3.390993649e+01 3.390993649e+01 1.88 3.099832727e+01 3.099832727e+01 1.90 2.829337766e+01 2.829337766e+01 1.92 2.578136006e+01 2.578136006e+01 1.94 2.344940539e+01 2.344940539e+01 1.96 2.128539761e+01 2.128539761e+01 1.98 1.927795870e+01 1.927795870e+01 2.00 1.741644196e+01 1.741644196e+01 2.02 1.569087054e+01 1.569087054e+01 2.04 1.409183384e+01 1.409183384e+01 2.06 1.261039982e+01 1.261039982e+01 2.08 1.123808707e+01 1.123808707e+01 2.10 9.966895038e+00 9.966895038e+00 2.12 8.789355782e+00 8.789355782e+00 2.14 7.698570371e+00 7.698570371e+00 2.16 6.688214721e+00 6.688214721e+00 2.18 5.752512953e+00 5.752512953e+00 2.20 4.886186474e+00 4.886186474e+00 2.22 4.084385163e+00 4.084385163e+00 2.24 3.342617213e+00 3.342617213e+00 2.26 2.656692405e+00 2.656692405e+00 2.28 2.022687880e+00 2.022687880e+00 2.30 1.436939685e+00 1.436939685e+00 2.32 8.960455327e-01 8.960455327e-01 2.34 3.968757764e-01 3.968757764e-01 2.36 -6.342603553e-02 -6.342603553e-02 2.38 -4.874563513e-01 -4.874563513e-01 2.40 -8.775822976e-01 -8.775822976e-01 2.42 -1.235983006e+00 -1.235983006e+00 2.44 -1.564689065e+00 -1.564689065e+00 2.46 -1.865613703e+00 -1.865613703e+00 2.48 -2.140571198e+00 -2.140571198e+00 2.50 -2.391284553e+00 -2.391284553e+00 2.52 -2.619385397e+00 -2.619385397e+00 2.54 -2.826409589e+00 -2.826409589e+00 2.56 -3.013792094e+00 -3.013792094e+00 2.58 -3.182818723e+00 -3.182818723e+00 2.60 -3.334643554e+00 -3.334643554e+00 2.62 -3.470503827e+00 -3.470503827e+00 2.64 -3.591544752e+00 -3.591544752e+00 2.66 -3.698820830e+00 -3.698820830e+00 2.68 -3.793370228e+00 -3.793370228e+00 2.70 -3.876133989e+00 -3.876133989e+00 2.72 -3.947862172e+00 -3.947862172e+00 2.74 -4.009273217e+00 -4.009273217e+00 2.76 -4.061020570e+00 -4.061020570e+00 2.78 -4.103597908e+00 -4.103597908e+00 2.80 -4.137466368e+00 -4.137466368e+00 2.82 -4.163087807e+00 -4.163087807e+00 2.84 -4.180911044e+00 -4.180911044e+00 2.86 -4.191241823e+00 -4.191241823e+00 2.88 -4.194316484e+00 -4.194316484e+00 2.90 -4.190411840e+00 -4.190411840e+00 2.92 -4.179841404e+00 -4.179841404e+00 2.94 -4.162949708e+00 -4.162949708e+00 2.96 -4.140106983e+00 -4.140106983e+00 2.98 -4.111704029e+00 -4.111704029e+00 3.00 -4.078146484e+00 -4.078146484e+00 3.02 -4.039847029e+00 -4.039847029e+00 3.04 -3.997214045e+00 -3.997214045e+00 3.06 -3.950638443e+00 -3.950638443e+00 3.08 -3.900476926e+00 -3.900476926e+00 3.10 -3.847040904e+00 -3.847040904e+00 3.12 -3.790589754e+00 -3.790589754e+00 3.14 -3.731333040e+00 -3.731333040e+00 3.16 -3.669436637e+00 -3.669436637e+00 3.18 -3.605035351e+00 -3.605035351e+00 3.20 -3.538245251e+00 -3.538245251e+00 3.22 -3.469175465e+00 -3.469175465e+00 3.24 -3.397938239e+00 -3.397938239e+00 3.26 -3.324657139e+00 -3.324657139e+00 3.28 -3.249473630e+00 -3.249473630e+00 3.30 -3.172552258e+00 -3.172552258e+00 3.32 -3.094084552e+00 -3.094084552e+00 3.34 -3.014292738e+00 -3.014292738e+00 3.36 -2.933445352e+00 -2.933445352e+00 3.38 -2.851815397e+00 -2.851815397e+00 3.40 -2.769698489e+00 -2.769698489e+00 3.42 -2.687418671e+00 -2.687418671e+00 3.44 -2.605321365e+00 -2.605321365e+00 3.46 -2.523765559e+00 -2.523765559e+00 3.48 -2.443114433e+00 -2.443114433e+00 3.50 -2.363725170e+00 -2.363725170e+00 3.52 -2.285937669e+00 -2.285937669e+00 3.54 -2.210051964e+00 -2.210051964e+00 3.56 -2.136318997e+00 -2.136318997e+00 3.58 -2.064946619e+00 -2.064946619e+00 3.60 -1.996092132e+00 -1.996092132e+00 3.62 -1.929857374e+00 -1.929857374e+00 3.64 -1.866287825e+00 -1.866287825e+00 3.66 -1.805375881e+00 -1.805375881e+00 3.68 -1.747067693e+00 -1.747067693e+00 3.70 -1.691272433e+00 -1.691272433e+00 3.72 -1.637872576e+00 -1.637872576e+00 3.74 -1.586733929e+00 -1.586733929e+00 3.76 -1.537714474e+00 -1.537714474e+00 3.78 -1.490671518e+00 -1.490671518e+00 3.80 -1.445467008e+00 -1.445467008e+00 3.82 -1.401971125e+00 -1.401971125e+00 3.84 -1.360064394e+00 -1.360064394e+00 3.86 -1.319638623e+00 -1.319638623e+00 3.88 -1.280596946e+00 -1.280596946e+00 3.90 -1.242853269e+00 -1.242853269e+00 3.92 -1.206331157e+00 -1.206331157e+00 3.94 -1.170963422e+00 -1.170963422e+00 3.96 -1.136689856e+00 -1.136689856e+00 3.98 -1.103456942e+00 -1.103456942e+00 4.00 -1.071216685e+00 -1.071216685e+00 4.02 -1.039925808e+00 -1.039925808e+00 4.04 -1.009545083e+00 -1.009545083e+00 4.06 -9.800387754e-01 -9.800387754e-01 4.08 -9.513741883e-01 -9.513741883e-01 4.10 -9.235208117e-01 -9.235208117e-01 4.12 -8.964518883e-01 -8.964518883e-01 4.14 -8.701411048e-01 -8.701411048e-01 4.16 -8.445644516e-01 -8.445644516e-01 4.18 -8.196994226e-01 -8.196994226e-01 4.20 -7.955248110e-01 -7.955248110e-01 4.22 -7.720205319e-01 -7.720205319e-01 4.24 -7.491674712e-01 -7.491674712e-01 4.26 -7.269473576e-01 -7.269473576e-01 4.28 -7.053426566e-01 -7.053426566e-01 4.30 -6.843364834e-01 -6.843364834e-01 4.32 -6.639125306e-01 -6.639125306e-01 4.34 -6.440550080e-01 -6.440550080e-01 4.36 -6.247485914e-01 -6.247485914e-01 4.38 -6.059783761e-01 -6.059783761e-01 4.40 -5.877298328e-01 -5.877298328e-01 4.42 -5.699887641e-01 -5.699887641e-01 4.44 -5.527412596e-01 -5.527412596e-01 4.46 -5.359736498e-01 -5.359736498e-01 4.48 -5.196724583e-01 -5.196724583e-01 4.50 -5.038243552e-01 -5.038243552e-01 4.52 -4.884161108e-01 -4.884161108e-01 4.54 -4.734345540e-01 -4.734345540e-01 4.56 -4.588665356e-01 -4.588665356e-01 4.58 -4.446988995e-01 -4.446988995e-01 4.60 -4.309184634e-01 -4.309184634e-01 4.62 -4.175120113e-01 -4.175120113e-01 4.64 -4.044662992e-01 -4.044662992e-01 4.66 -3.917680761e-01 -3.917680761e-01 4.68 -3.794041226e-01 -3.794041226e-01 4.70 -3.673613094e-01 -3.673613094e-01 4.72 -3.556266775e-01 -3.556266775e-01 4.74 -3.441875435e-01 -3.441875435e-01 4.76 -3.330316317e-01 -3.330316317e-01 4.78 -3.221472352e-01 -3.221472352e-01 4.80 -3.115231461e-01 -3.115231461e-01 4.82 -3.011499563e-01 -3.011499563e-01 4.84 -2.910185942e-01 -2.910185942e-01 4.86 -2.811217621e-01 -2.811217621e-01 4.88 -2.714538623e-01 -2.714538623e-01 4.90 -2.620112042e-01 -2.620112042e-01 4.92 -2.527921510e-01 -2.527921510e-01 4.94 -2.437971705e-01 -2.437971705e-01 4.96 -2.350287606e-01 -2.350287606e-01 4.98 -2.264912235e-01 -2.264912235e-01 5.00 -2.181902802e-01 -2.181902802e-01 5.02 -2.101325350e-01 -2.101325350e-01 5.04 -2.023248249e-01 -2.023248249e-01 5.06 -1.947735082e-01 -1.947735082e-01 5.08 -1.874837618e-01 -1.874837618e-01 5.10 -1.804589611e-01 -1.804589611e-01 5.12 -1.737002042e-01 -1.737002042e-01 5.14 -1.672060248e-01 -1.672060248e-01 5.16 -1.609723080e-01 -1.609723080e-01 5.18 -1.549923986e-01 -1.549923986e-01 5.20 -1.492573672e-01 -1.492573672e-01 5.22 -1.437563880e-01 -1.437563880e-01 5.24 -1.384771758e-01 -1.384771758e-01 5.26 -1.334064348e-01 -1.334064348e-01 5.28 -1.285302822e-01 -1.285302822e-01 5.30 -1.238346196e-01 -1.238346196e-01 5.32 -1.193054400e-01 -1.193054400e-01 5.34 -1.149290653e-01 -1.149290653e-01 5.36 -1.106923178e-01 -1.106923178e-01 5.38 -1.065826353e-01 -1.065826353e-01 5.40 -1.025881350e-01 -1.025881350e-01 5.42 -9.869759137e-02 -9.869759137e-02 5.44 -9.490057668e-02 -9.490057668e-02 5.46 -9.118741589e-02 -9.118741589e-02 5.48 -8.754916166e-02 -8.754916166e-02 5.50 -8.397760855e-02 -8.397760855e-02 5.52 -8.046532530e-02 -8.046532530e-02 5.54 -7.700571187e-02 -7.700571187e-02 5.56 -7.359308459e-02 -7.359308459e-02 5.58 -7.022278970e-02 -7.022278970e-02 5.60 -6.689134093e-02 -6.689134093e-02 5.62 -6.359657241e-02 -6.359657241e-02 5.64 -6.033779347e-02 -6.033779347e-02 5.66 -5.711592717e-02 -5.711592717e-02 5.68 -5.393361388e-02 -5.393361388e-02 5.70 -5.079525647e-02 -5.079525647e-02 5.72 -4.770698590e-02 -4.770698590e-02 5.74 -4.467653297e-02 -4.467653297e-02 5.76 -4.171299688e-02 -4.171299688e-02 5.78 -3.882651501e-02 -3.882651501e-02 5.80 -3.602782995e-02 -3.602782995e-02 5.82 -3.332780199e-02 -3.332780199e-02 5.84 -3.073689332e-02 -3.073689332e-02 5.86 -2.826465585e-02 -2.826465585e-02 5.88 -2.591926863e-02 -2.591926863e-02 5.90 -2.370716140e-02 -2.370716140e-02 5.92 -2.163250128e-02 -2.163250128e-02 5.94 -1.969693180e-02 -1.969693180e-02 5.96 -1.790100996e-02 -1.790100996e-02 5.98 -1.624318409e-02 -1.624318409e-02 6.00 -1.471993094e-02 -1.471993094e-02