# 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 = AlAuPt2 # 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 3.205343765e+02 3.205343765e+02 1.30 2.992630028e+02 2.992630028e+02 1.32 2.793764278e+02 2.793764278e+02 1.34 2.607747422e+02 2.607747422e+02 1.36 2.433649221e+02 2.433649221e+02 1.38 2.270572220e+02 2.270572220e+02 1.40 2.117683893e+02 2.117683893e+02 1.42 1.974275515e+02 1.974275515e+02 1.44 1.839771116e+02 1.839771116e+02 1.46 1.713682993e+02 1.713682993e+02 1.48 1.595558547e+02 1.595558547e+02 1.50 1.484936873e+02 1.484936873e+02 1.52 1.381318171e+02 1.381318171e+02 1.54 1.284159351e+02 1.284159351e+02 1.56 1.192899686e+02 1.192899686e+02 1.58 1.106999732e+02 1.106999732e+02 1.60 1.025974100e+02 1.025974100e+02 1.62 9.494101540e+01 9.494101540e+01 1.64 8.769734216e+01 8.769734216e+01 1.66 8.084023579e+01 8.084023579e+01 1.68 7.434947752e+01 7.434947752e+01 1.70 6.820886255e+01 6.820886255e+01 1.72 6.240402307e+01 6.240402307e+01 1.74 5.692251925e+01 5.692251925e+01 1.76 5.177989070e+01 5.177989070e+01 1.78 4.704429749e+01 4.704429749e+01 1.80 4.268842604e+01 4.268842604e+01 1.82 3.867635125e+01 3.867635125e+01 1.84 3.497665833e+01 3.497665833e+01 1.86 3.156332248e+01 3.156332248e+01 1.88 2.841520040e+01 2.841520040e+01 1.90 2.551467700e+01 2.551467700e+01 1.92 2.284606048e+01 2.284606048e+01 1.94 2.039435476e+01 2.039435476e+01 1.96 1.814471278e+01 1.814471278e+01 1.98 1.608242737e+01 1.608242737e+01 2.00 1.419312712e+01 1.419312712e+01 2.02 1.246296235e+01 1.246296235e+01 2.04 1.087875082e+01 1.087875082e+01 2.06 9.428115755e+00 9.428115755e+00 2.08 8.099606148e+00 8.099606148e+00 2.10 6.882753191e+00 6.882753191e+00 2.12 5.768041075e+00 5.768041075e+00 2.14 4.746820440e+00 4.746820440e+00 2.16 3.811216529e+00 3.811216529e+00 2.18 2.954067133e+00 2.954067133e+00 2.20 2.168891668e+00 2.168891668e+00 2.22 1.449871764e+00 1.449871764e+00 2.24 7.918239934e-01 7.918239934e-01 2.26 1.901565712e-01 1.901565712e-01 2.28 -3.591884856e-01 -3.591884856e-01 2.30 -8.598025893e-01 -8.598025893e-01 2.32 -1.314882437e+00 -1.314882437e+00 2.34 -1.727303247e+00 -1.727303247e+00 2.36 -2.099690711e+00 -2.099690711e+00 2.38 -2.434488572e+00 -2.434488572e+00 2.40 -2.734017638e+00 -2.734017638e+00 2.42 -3.000521286e+00 -3.000521286e+00 2.44 -3.236193484e+00 -3.236193484e+00 2.46 -3.443189540e+00 -3.443189540e+00 2.48 -3.623625587e+00 -3.623625587e+00 2.50 -3.779576547e+00 -3.779576547e+00 2.52 -3.913092843e+00 -3.913092843e+00 2.54 -4.028074680e+00 -4.028074680e+00 2.56 -4.127285362e+00 -4.127285362e+00 2.58 -4.211944098e+00 -4.211944098e+00 2.60 -4.283310274e+00 -4.283310274e+00 2.62 -4.342626633e+00 -4.342626633e+00 2.64 -4.391061574e+00 -4.391061574e+00 2.66 -4.429660215e+00 -4.429660215e+00 2.68 -4.459312162e+00 -4.459312162e+00 2.70 -4.480739984e+00 -4.480739984e+00 2.72 -4.494507528e+00 -4.494507528e+00 2.74 -4.501042809e+00 -4.501042809e+00 2.76 -4.500668164e+00 -4.500668164e+00 2.78 -4.493631246e+00 -4.493631246e+00 2.80 -4.480133166e+00 -4.480133166e+00 2.82 -4.460352876e+00 -4.460352876e+00 2.84 -4.434469713e+00 -4.434469713e+00 2.86 -4.403102182e+00 -4.403102182e+00 2.88 -4.366694199e+00 -4.366694199e+00 2.90 -4.325325546e+00 -4.325325546e+00 2.92 -4.279196584e+00 -4.279196584e+00 2.94 -4.228633572e+00 -4.228633572e+00 2.96 -4.174083334e+00 -4.174083334e+00 2.98 -4.116093336e+00 -4.116093336e+00 3.00 -4.055277083e+00 -4.055277083e+00 3.02 -3.992269463e+00 -3.992269463e+00 3.04 -3.927682438e+00 -3.927682438e+00 3.06 -3.862072249e+00 -3.862072249e+00 3.08 -3.795901275e+00 -3.795901275e+00 3.10 -3.729525117e+00 -3.729525117e+00 3.12 -3.663195546e+00 -3.663195546e+00 3.14 -3.597071731e+00 -3.597071731e+00 3.16 -3.531236718e+00 -3.531236718e+00 3.18 -3.465715904e+00 -3.465715904e+00 3.20 -3.400494844e+00 -3.400494844e+00 3.22 -3.335534975e+00 -3.335534975e+00 3.24 -3.270786532e+00 -3.270786532e+00 3.26 -3.206198526e+00 -3.206198526e+00 3.28 -3.141725983e+00 -3.141725983e+00 3.30 -3.077334854e+00 -3.077334854e+00 3.32 -3.013004999e+00 -3.013004999e+00 3.34 -2.948731629e+00 -2.948731629e+00 3.36 -2.884525504e+00 -2.884525504e+00 3.38 -2.820412133e+00 -2.820412133e+00 3.40 -2.756430562e+00 -2.756430562e+00 3.42 -2.692663377e+00 -2.692663377e+00 3.44 -2.629253833e+00 -2.629253833e+00 3.46 -2.566341048e+00 -2.566341048e+00 3.48 -2.504052419e+00 -2.504052419e+00 3.50 -2.442503152e+00 -2.442503152e+00 3.52 -2.381795738e+00 -2.381795738e+00 3.54 -2.322019482e+00 -2.322019482e+00 3.56 -2.263250175e+00 -2.263250175e+00 3.58 -2.205549922e+00 -2.205549922e+00 3.60 -2.148967153e+00 -2.148967153e+00 3.62 -2.093536801e+00 -2.093536801e+00 3.64 -2.039280657e+00 -2.039280657e+00 3.66 -1.986207890e+00 -1.986207890e+00 3.68 -1.934315723e+00 -1.934315723e+00 3.70 -1.883590297e+00 -1.883590297e+00 3.72 -1.834007684e+00 -1.834007684e+00 3.74 -1.785535091e+00 -1.785535091e+00 3.76 -1.738132205e+00 -1.738132205e+00 3.78 -1.691752667e+00 -1.691752667e+00 3.80 -1.646345632e+00 -1.646345632e+00 3.82 -1.601857363e+00 -1.601857363e+00 3.84 -1.558232788e+00 -1.558232788e+00 3.86 -1.515416985e+00 -1.515416985e+00 3.88 -1.473356530e+00 -1.473356530e+00 3.90 -1.432000695e+00 -1.432000695e+00 3.92 -1.391302485e+00 -1.391302485e+00 3.94 -1.351219551e+00 -1.351219551e+00 3.96 -1.311714950e+00 -1.311714950e+00 3.98 -1.272757885e+00 -1.272757885e+00 4.00 -1.234324392e+00 -1.234324392e+00 4.02 -1.196398021e+00 -1.196398021e+00 4.04 -1.158970508e+00 -1.158970508e+00 4.06 -1.122042389e+00 -1.122042389e+00 4.08 -1.085623460e+00 -1.085623460e+00 4.10 -1.049732972e+00 -1.049732972e+00 4.12 -1.014399475e+00 -1.014399475e+00 4.14 -9.796600130e-01 -9.796600130e-01 4.16 -9.455588437e-01 -9.455588437e-01 4.18 -9.121455054e-01 -9.121455054e-01 4.20 -8.794723976e-01 -8.794723976e-01 4.22 -8.475920610e-01 -8.475920610e-01 4.24 -8.165543909e-01 -8.165543909e-01 4.26 -7.864040235e-01 -7.864040235e-01 4.28 -7.571780816e-01 -7.571780816e-01 4.30 -7.289043840e-01 -7.289043840e-01 4.32 -7.016001423e-01 -7.016001423e-01 4.34 -6.752711122e-01 -6.752711122e-01 4.36 -6.499111485e-01 -6.499111485e-01 4.38 -6.255021259e-01 -6.255021259e-01 4.40 -6.020142120e-01 -6.020142120e-01 4.42 -5.794064953e-01 -5.794064953e-01 4.44 -5.576279679e-01 -5.576279679e-01 4.46 -5.366188419e-01 -5.366188419e-01 4.48 -5.163121495e-01 -5.163121495e-01 4.50 -4.966355526e-01 -4.966355526e-01 4.52 -4.775132786e-01 -4.775132786e-01 4.54 -4.588681040e-01 -4.588681040e-01 4.56 -4.406233300e-01 -4.406233300e-01 4.58 -4.227047167e-01 -4.227047167e-01 4.60 -4.050423699e-01 -4.050423699e-01 4.62 -3.875725854e-01 -3.875725854e-01 4.64 -3.702396615e-01 -3.702396615e-01 4.66 -3.529976774e-01 -3.529976774e-01 4.68 -3.358122115e-01 -3.358122115e-01 4.70 -3.186619383e-01 -3.186619383e-01 4.72 -3.015400073e-01 -3.015400073e-01 4.74 -2.844550691e-01 -2.844550691e-01 4.76 -2.674317928e-01 -2.674317928e-01 4.78 -2.505107136e-01 -2.505107136e-01 4.80 -2.337472686e-01 -2.337472686e-01 4.82 -2.172099809e-01 -2.172099809e-01 4.84 -2.009776883e-01 -2.009776883e-01 4.86 -1.851360686e-01 -1.851360686e-01 4.88 -1.697735595e-01 -1.697735595e-01 4.90 -1.549770160e-01 -1.549770160e-01 4.92 -1.408274465e-01 -1.408274465e-01 4.94 -1.273961782e-01 -1.273961782e-01 4.96 -1.147417540e-01 -1.147417540e-01 4.98 -1.029077742e-01 -1.029077742e-01 5.00 -9.192178209e-02 -9.192178209e-02 5.02 -8.179517712e-02 -8.179517712e-02 5.04 -7.252403947e-02 -7.252403947e-02 5.06 -6.409067853e-02 -6.409067853e-02 5.08 -5.646568283e-02 -5.646568283e-02 5.10 -4.961024442e-02 -4.961024442e-02 5.12 -4.347855328e-02 -4.347855328e-02 5.14 -3.802010404e-02 -3.802010404e-02 5.16 -3.318177307e-02 -3.318177307e-02 5.18 -2.890961021e-02 -2.890961021e-02 5.20 -2.515029897e-02 -2.515029897e-02 5.22 -2.185230770e-02 -2.185230770e-02 5.24 -1.896674920e-02 -1.896674920e-02 5.26 -1.644780395e-02 -1.644780395e-02 5.28 -1.425287039e-02 -1.425287039e-02 5.30 -1.234378683e-02 -1.234378683e-02 5.32 -1.068709723e-02 -1.068709723e-02 5.34 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