# 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 = Mg2TaW # 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 5.128940013e+02 5.128940013e+02 1.30 4.753819848e+02 4.753819848e+02 1.32 4.406839933e+02 4.406839933e+02 1.34 4.085739202e+02 4.085739202e+02 1.36 3.788453109e+02 3.788453109e+02 1.38 3.513090938e+02 3.513090938e+02 1.40 3.257921044e+02 3.257921044e+02 1.42 3.021360171e+02 3.021360171e+02 1.44 2.801960930e+02 2.801960930e+02 1.46 2.598395361e+02 2.598395361e+02 1.48 2.409438285e+02 2.409438285e+02 1.50 2.233956138e+02 2.233956138e+02 1.52 2.070903883e+02 2.070903883e+02 1.54 1.919327127e+02 1.919327127e+02 1.56 1.778363951e+02 1.778363951e+02 1.58 1.647241640e+02 1.647241640e+02 1.60 1.525267084e+02 1.525267084e+02 1.62 1.411813230e+02 1.411813230e+02 1.64 1.306305565e+02 1.306305565e+02 1.66 1.208211327e+02 1.208211327e+02 1.68 1.117032285e+02 1.117032285e+02 1.70 1.032300421e+02 1.032300421e+02 1.72 9.535751220e+01 9.535751220e+01 1.74 8.804410888e+01 8.804410888e+01 1.76 8.125066131e+01 8.125066131e+01 1.78 7.494074214e+01 7.494074214e+01 1.80 6.908432990e+01 6.908432990e+01 1.82 6.364953567e+01 6.364953567e+01 1.84 5.860544670e+01 5.860544670e+01 1.86 5.392355280e+01 5.392355280e+01 1.88 4.957760558e+01 4.957760558e+01 1.90 4.554340647e+01 4.554340647e+01 1.92 4.179907925e+01 4.179907925e+01 1.94 3.832440172e+01 3.832440172e+01 1.96 3.510048752e+01 3.510048752e+01 1.98 3.210957849e+01 3.210957849e+01 2.00 2.933493961e+01 2.933493961e+01 2.02 2.676083437e+01 2.676083437e+01 2.04 2.437254328e+01 2.437254328e+01 2.06 2.215638255e+01 2.215638255e+01 2.08 2.009969308e+01 2.009969308e+01 2.10 1.819079821e+01 1.819079821e+01 2.12 1.641894504e+01 1.641894504e+01 2.14 1.477425047e+01 1.477425047e+01 2.16 1.324765996e+01 1.324765996e+01 2.18 1.183090789e+01 1.183090789e+01 2.20 1.051646808e+01 1.051646808e+01 2.22 9.297481576e+00 9.297481576e+00 2.24 8.167668219e+00 8.167668219e+00 2.26 7.121230345e+00 7.121230345e+00 2.28 6.152758092e+00 6.152758092e+00 2.30 5.257151881e+00 5.257151881e+00 2.32 4.429558467e+00 4.429558467e+00 2.34 3.665338483e+00 3.665338483e+00 2.36 2.960054728e+00 2.960054728e+00 2.38 2.309534381e+00 2.309534381e+00 2.40 1.709820391e+00 1.709820391e+00 2.42 1.157106692e+00 1.157106692e+00 2.44 6.479801521e-01 6.479801521e-01 2.46 1.792363187e-01 1.792363187e-01 2.48 -2.522101382e-01 -2.522101382e-01 2.50 -6.491227818e-01 -6.491227818e-01 2.52 -1.013977119e+00 -1.013977119e+00 2.54 -1.348963360e+00 -1.348963360e+00 2.56 -1.655858017e+00 -1.655858017e+00 2.58 -1.936097556e+00 -1.936097556e+00 2.60 -2.190827079e+00 -2.190827079e+00 2.62 -2.421169576e+00 -2.421169576e+00 2.64 -2.628244057e+00 -2.628244057e+00 2.66 -2.813153472e+00 -2.813153472e+00 2.68 -2.976980418e+00 -2.976980418e+00 2.70 -3.120782760e+00 -3.120782760e+00 2.72 -3.245590609e+00 -3.245590609e+00 2.74 -3.352403671e+00 -3.352403671e+00 2.76 -3.442189039e+00 -3.442189039e+00 2.78 -3.515879826e+00 -3.515879826e+00 2.80 -3.574376921e+00 -3.574376921e+00 2.82 -3.618550950e+00 -3.618550950e+00 2.84 -3.649250013e+00 -3.649250013e+00 2.86 -3.667308760e+00 -3.667308760e+00 2.88 -3.673559520e+00 -3.673559520e+00 2.90 -3.668843545e+00 -3.668843545e+00 2.92 -3.654020277e+00 -3.654020277e+00 2.94 -3.629972508e+00 -3.629972508e+00 2.96 -3.597605546e+00 -3.597605546e+00 2.98 -3.557839316e+00 -3.557839316e+00 3.00 -3.511593447e+00 -3.511593447e+00 3.02 -3.459766744e+00 -3.459766744e+00 3.04 -3.403213461e+00 -3.403213461e+00 3.06 -3.342721353e+00 -3.342721353e+00 3.08 -3.278991006e+00 -3.278991006e+00 3.10 -3.212625054e+00 -3.212625054e+00 3.12 -3.144123946e+00 -3.144123946e+00 3.14 -3.073893867e+00 -3.073893867e+00 3.16 -3.002256395e+00 -3.002256395e+00 3.18 -2.929470244e+00 -2.929470244e+00 3.20 -2.855752572e+00 -2.855752572e+00 3.22 -2.781301180e+00 -2.781301180e+00 3.24 -2.706314196e+00 -2.706314196e+00 3.26 -2.631005023e+00 -2.631005023e+00 3.28 -2.555610966e+00 -2.555610966e+00 3.30 -2.480394806e+00 -2.480394806e+00 3.32 -2.405639684e+00 -2.405639684e+00 3.34 -2.331638706e+00 -2.331638706e+00 3.36 -2.258681508e+00 -2.258681508e+00 3.38 -2.187040307e+00 -2.187040307e+00 3.40 -2.116957627e+00 -2.116957627e+00 3.42 -2.048637549e+00 -2.048637549e+00 3.44 -1.982240058e+00 -1.982240058e+00 3.46 -1.917920300e+00 -1.917920300e+00 3.48 -1.855752343e+00 -1.855752343e+00 3.50 -1.795650053e+00 -1.795650053e+00 3.52 -1.737517057e+00 -1.737517057e+00 3.54 -1.681252806e+00 -1.681252806e+00 3.56 -1.626737338e+00 -1.626737338e+00 3.58 -1.573656708e+00 -1.573656708e+00 3.60 -1.521629001e+00 -1.521629001e+00 3.62 -1.470351407e+00 -1.470351407e+00 3.64 -1.419591400e+00 -1.419591400e+00 3.66 -1.369176659e+00 -1.369176659e+00 3.68 -1.318987105e+00 -1.318987105e+00 3.70 -1.268949356e+00 -1.268949356e+00 3.72 -1.219033394e+00 -1.219033394e+00 3.74 -1.169250812e+00 -1.169250812e+00 3.76 -1.119653790e+00 -1.119653790e+00 3.78 -1.070333813e+00 -1.070333813e+00 3.80 -1.021419240e+00 -1.021419240e+00 3.82 -9.730710208e-01 -9.730710208e-01 3.84 -9.254762328e-01 -9.254762328e-01 3.86 -8.788394728e-01 -8.788394728e-01 3.88 -8.333725843e-01 -8.333725843e-01 3.90 -7.892835381e-01 -7.892835381e-01 3.92 -7.467652895e-01 -7.467652895e-01 3.94 -7.059869345e-01 -7.059869345e-01 3.96 -6.670847835e-01 -6.670847835e-01 3.98 -6.301584403e-01 -6.301584403e-01 4.00 -5.952685661e-01 -5.952685661e-01 4.02 -5.624376024e-01 -5.624376024e-01 4.04 -5.316527313e-01 -5.316527313e-01 4.06 -5.028704432e-01 -5.028704432e-01 4.08 -4.760220444e-01 -4.760220444e-01 4.10 -4.510187211e-01 -4.510187211e-01 4.12 -4.277604727e-01 -4.277604727e-01 4.14 -4.061361363e-01 -4.061361363e-01 4.16 -3.860314864e-01 -3.860314864e-01 4.18 -3.673319145e-01 -3.673319145e-01 4.20 -3.499252715e-01 -3.499252715e-01 4.22 -3.337039594e-01 -3.337039594e-01 4.24 -3.185663635e-01 -3.185663635e-01 4.26 -3.044177350e-01 -3.044177350e-01 4.28 -2.911706339e-01 -2.911706339e-01 4.30 -2.787450356e-01 -2.787450356e-01 4.32 -2.670681896e-01 -2.670681896e-01 4.34 -2.560743078e-01 -2.560743078e-01 4.36 -2.457041417e-01 -2.457041417e-01 4.38 -2.359044963e-01 -2.359044963e-01 4.40 -2.266277156e-01 -2.266277156e-01 4.42 -2.178311656e-01 -2.178311656e-01 4.44 -2.094767318e-01 -2.094767318e-01 4.46 -2.015303432e-01 -2.015303432e-01 4.48 -1.939615300e-01 -1.939615300e-01 4.50 -1.867430170e-01 -1.867430170e-01 4.52 -1.798503556e-01 -1.798503556e-01 4.54 -1.732615925e-01 -1.732615925e-01 4.56 -1.669569763e-01 -1.669569763e-01 4.58 -1.609186916e-01 -1.609186916e-01 4.60 -1.551306250e-01 -1.551306250e-01 4.62 -1.495781638e-01 -1.495781638e-01 4.64 -1.442480170e-01 -1.442480170e-01 4.66 -1.391280570e-01 -1.391280570e-01 4.68 -1.342071827e-01 -1.342071827e-01 4.70 -1.294751982e-01 -1.294751982e-01 4.72 -1.249227080e-01 -1.249227080e-01 4.74 -1.205410247e-01 -1.205410247e-01 4.76 -1.163220892e-01 -1.163220892e-01 4.78 -1.122584003e-01 -1.122584003e-01 4.80 -1.083425442e-01 -1.083425442e-01 4.82 -1.045688490e-01 -1.045688490e-01 4.84 -1.009306541e-01 -1.009306541e-01 4.86 -9.742201701e-02 -9.742201701e-02 4.88 -9.403730816e-02 -9.403730816e-02 4.90 -9.077139111e-02 -9.077139111e-02 4.92 -8.761937522e-02 -8.761937522e-02 4.94 -8.457659203e-02 -8.457659203e-02 4.96 -8.163857561e-02 -8.163857561e-02 4.98 -7.880104518e-02 -7.880104518e-02 5.00 -7.605988992e-02 -7.605988992e-02 5.02 -7.341115579e-02 -7.341115579e-02 5.04 -7.085103450e-02 -7.085103450e-02 5.06 -6.837585443e-02 -6.837585443e-02 5.08 -6.598207380e-02 -6.598207380e-02 5.10 -6.366627607e-02 -6.366627607e-02 5.12 -6.142516808e-02 -6.142516808e-02 5.14 -5.925558026e-02 -5.925558026e-02 5.16 -5.715447009e-02 -5.715447009e-02 5.18 -5.511892884e-02 -5.511892884e-02 5.20 -5.314619137e-02 -5.314619137e-02 5.22 -5.123364901e-02 -5.123364901e-02 5.24 -4.937886539e-02 -4.937886539e-02 5.26 -4.757959454e-02 -4.757959454e-02 5.28 -4.583380041e-02 -4.583380041e-02 5.30 -4.413967627e-02 -4.413967627e-02 5.32 -4.249566214e-02 -4.249566214e-02 5.34 -4.090045790e-02 -4.090045790e-02 5.36 -3.935302922e-02 -3.935302922e-02 5.38 -3.785260419e-02 -3.785260419e-02 5.40 -3.639865738e-02 -3.639865738e-02 5.42 -3.499088023e-02 -3.499088023e-02 5.44 -3.362913745e-02 -3.362913745e-02 5.46 -3.231341062e-02 -3.231341062e-02 5.48 -3.104373202e-02 -3.104373202e-02 5.50 -2.982011339e-02 -2.982011339e-02 5.52 -2.864247514e-02 -2.864247514e-02 5.54 -2.751058235e-02 -2.751058235e-02 5.56 -2.642399298e-02 -2.642399298e-02 5.58 -2.538202238e-02 -2.538202238e-02 5.60 -2.438372639e-02 -2.438372639e-02 5.62 -2.342790289e-02 -2.342790289e-02 5.64 -2.251310995e-02 -2.251310995e-02 5.66 -2.163769689e-02 -2.163769689e-02 5.68 -2.079984408e-02 -2.079984408e-02 5.70 -1.999760698e-02 -1.999760698e-02 5.72 -1.922896048e-02 -1.922896048e-02 5.74 -1.849183988e-02 -1.849183988e-02 5.76 -1.778414617e-02 -1.778414617e-02 5.78 -1.710382704e-02 -1.710382704e-02 5.80 -1.644890286e-02 -1.644890286e-02 5.82 -1.581746146e-02 -1.581746146e-02 5.84 -1.520767034e-02 -1.520767034e-02 5.86 -1.461778455e-02 -1.461778455e-02 5.88 -1.404615121e-02 -1.404615121e-02 5.90 -1.349121195e-02 -1.349121195e-02 5.92 -1.295150421e-02 -1.295150421e-02 5.94 -1.242566229e-02 -1.242566229e-02 5.96 -1.191241895e-02 -1.191241895e-02 5.98 -1.141060815e-02 -1.141060815e-02 6.00 -1.091916925e-02 -1.091916925e-02