# 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 = AgMg2Pb # 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 3.489460749e+02 3.489460749e+02 1.30 3.240919392e+02 3.240919392e+02 1.32 3.010700322e+02 3.010700322e+02 1.34 2.797336774e+02 2.797336774e+02 1.36 2.599488674e+02 2.599488674e+02 1.38 2.415932875e+02 2.415932875e+02 1.40 2.245555188e+02 2.245555188e+02 1.42 2.087342358e+02 2.087342358e+02 1.44 1.940371218e+02 1.940371218e+02 1.46 1.803795016e+02 1.803795016e+02 1.48 1.676831843e+02 1.676831843e+02 1.50 1.558759373e+02 1.558759373e+02 1.52 1.448914136e+02 1.448914136e+02 1.54 1.346689572e+02 1.346689572e+02 1.56 1.251530516e+02 1.251530516e+02 1.58 1.162926289e+02 1.162926289e+02 1.60 1.080404815e+02 1.080404815e+02 1.62 1.003553007e+02 1.003553007e+02 1.64 9.320343852e+01 9.320343852e+01 1.66 8.654683108e+01 8.654683108e+01 1.68 8.034998555e+01 8.034998555e+01 1.70 7.458014373e+01 7.458014373e+01 1.72 6.920705033e+01 6.920705033e+01 1.74 6.420270680e+01 6.420270680e+01 1.76 5.954113640e+01 5.954113640e+01 1.78 5.519821046e+01 5.519821046e+01 1.80 5.115154713e+01 5.115154713e+01 1.82 4.738047346e+01 4.738047346e+01 1.84 4.386597380e+01 4.386597380e+01 1.86 4.059059769e+01 4.059059769e+01 1.88 3.753831136e+01 3.753831136e+01 1.90 3.469431078e+01 3.469431078e+01 1.92 3.204483544e+01 3.204483544e+01 1.94 2.957701207e+01 2.957701207e+01 1.96 2.727872753e+01 2.727872753e+01 1.98 2.513854942e+01 2.513854942e+01 2.00 2.314568908e+01 2.314568908e+01 2.02 2.129000243e+01 2.129000243e+01 2.04 1.956201075e+01 1.956201075e+01 2.06 1.795291685e+01 1.795291685e+01 2.08 1.645459587e+01 1.645459587e+01 2.10 1.505956018e+01 1.505956018e+01 2.12 1.376090341e+01 1.376090341e+01 2.14 1.255223433e+01 1.255223433e+01 2.16 1.142761645e+01 1.142761645e+01 2.18 1.038151654e+01 1.038151654e+01 2.20 9.408765511e+00 9.408765511e+00 2.22 8.504528998e+00 8.504528998e+00 2.24 7.664286969e+00 7.664286969e+00 2.26 6.883818986e+00 6.883818986e+00 2.28 6.159186167e+00 6.159186167e+00 2.30 5.486719871e+00 5.486719871e+00 2.32 4.862991028e+00 4.862991028e+00 2.34 4.284793804e+00 4.284793804e+00 2.36 3.749117076e+00 3.749117076e+00 2.38 3.253127567e+00 3.253127567e+00 2.40 2.794157928e+00 2.794157928e+00 2.42 2.369699691e+00 2.369699691e+00 2.44 1.977401330e+00 1.977401330e+00 2.46 1.615065702e+00 1.615065702e+00 2.48 1.280646746e+00 1.280646746e+00 2.50 9.722423394e-01 9.722423394e-01 2.52 6.880828549e-01 6.880828549e-01 2.54 4.265167585e-01 4.265167585e-01 2.56 1.859959237e-01 1.859959237e-01 2.58 -3.493653885e-02 -3.493653885e-02 2.60 -2.376540660e-01 -2.376540660e-01 2.62 -4.234487579e-01 -4.234487579e-01 2.64 -5.935335799e-01 -5.935335799e-01 2.66 -7.490342739e-01 -7.490342739e-01 2.68 -8.909914333e-01 -8.909914333e-01 2.70 -1.020360859e+00 -1.020360859e+00 2.72 -1.138018695e+00 -1.138018695e+00 2.74 -1.244769279e+00 -1.244769279e+00 2.76 -1.341353914e+00 -1.341353914e+00 2.78 -1.428521911e+00 -1.428521911e+00 2.80 -1.506932257e+00 -1.506932257e+00 2.82 -1.577085475e+00 -1.577085475e+00 2.84 -1.639463088e+00 -1.639463088e+00 2.86 -1.694527831e+00 -1.694527831e+00 2.88 -1.742723789e+00 -1.742723789e+00 2.90 -1.784476810e+00 -1.784476810e+00 2.92 -1.820195355e+00 -1.820195355e+00 2.94 -1.850272527e+00 -1.850272527e+00 2.96 -1.875093253e+00 -1.875093253e+00 2.98 -1.895032399e+00 -1.895032399e+00 3.00 -1.910452991e+00 -1.910452991e+00 3.02 -1.921731079e+00 -1.921731079e+00 3.04 -1.929217036e+00 -1.929217036e+00 3.06 -1.933210617e+00 -1.933210617e+00 3.08 -1.934005475e+00 -1.934005475e+00 3.10 -1.931889199e+00 -1.931889199e+00 3.12 -1.927136879e+00 -1.927136879e+00 3.14 -1.920010390e+00 -1.920010390e+00 3.16 -1.910750310e+00 -1.910750310e+00 3.18 -1.899576706e+00 -1.899576706e+00 3.20 -1.886680998e+00 -1.886680998e+00 3.22 -1.872237523e+00 -1.872237523e+00 3.24 -1.856432980e+00 -1.856432980e+00 3.26 -1.839387755e+00 -1.839387755e+00 3.28 -1.821204053e+00 -1.821204053e+00 3.30 -1.801980471e+00 -1.801980471e+00 3.32 -1.781812149e+00 -1.781812149e+00 3.34 -1.760790504e+00 -1.760790504e+00 3.36 -1.739002688e+00 -1.739002688e+00 3.38 -1.716531046e+00 -1.716531046e+00 3.40 -1.693450931e+00 -1.693450931e+00 3.42 -1.669805797e+00 -1.669805797e+00 3.44 -1.645614074e+00 -1.645614074e+00 3.46 -1.620900002e+00 -1.620900002e+00 3.48 -1.595693116e+00 -1.595693116e+00 3.50 -1.570027253e+00 -1.570027253e+00 3.52 -1.543939655e+00 -1.543939655e+00 3.54 -1.517470164e+00 -1.517470164e+00 3.56 -1.490660526e+00 -1.490660526e+00 3.58 -1.463553840e+00 -1.463553840e+00 3.60 -1.436194169e+00 -1.436194169e+00 3.62 -1.408626305e+00 -1.408626305e+00 3.64 -1.380895650e+00 -1.380895650e+00 3.66 -1.353048156e+00 -1.353048156e+00 3.68 -1.325130244e+00 -1.325130244e+00 3.70 -1.297188632e+00 -1.297188632e+00 3.72 -1.269270009e+00 -1.269270009e+00 3.74 -1.241420540e+00 -1.241420540e+00 3.76 -1.213685235e+00 -1.213685235e+00 3.78 -1.186107238e+00 -1.186107238e+00 3.80 -1.158727139e+00 -1.158727139e+00 3.82 -1.131582389e+00 -1.131582389e+00 3.84 -1.104706869e+00 -1.104706869e+00 3.86 -1.078130624e+00 -1.078130624e+00 3.88 -1.051879739e+00 -1.051879739e+00 3.90 -1.025976321e+00 -1.025976321e+00 3.92 -1.000438031e+00 -1.000438031e+00 3.94 -9.752804048e-01 -9.752804048e-01 3.96 -9.505136012e-01 -9.505136012e-01 3.98 -9.261451317e-01 -9.261451317e-01 4.00 -9.021795895e-01 -9.021795895e-01 4.02 -8.786190934e-01 -8.786190934e-01 4.04 -8.554637672e-01 -8.554637672e-01 4.06 -8.327122250e-01 -8.327122250e-01 4.08 -8.103620394e-01 -8.103620394e-01 4.10 -7.884085774e-01 -7.884085774e-01 4.12 -7.668521080e-01 -7.668521080e-01 4.14 -7.456876233e-01 -7.456876233e-01 4.16 -7.249126014e-01 -7.249126014e-01 4.18 -7.045253579e-01 -7.045253579e-01 4.20 -6.845253249e-01 -6.845253249e-01 4.22 -6.649132707e-01 -6.649132707e-01 4.24 -6.456914376e-01 -6.456914376e-01 4.26 -6.268635651e-01 -6.268635651e-01 4.28 -6.084347740e-01 -6.084347740e-01 4.30 -5.904112960e-01 -5.904112960e-01 4.32 -5.728000477e-01 -5.728000477e-01 4.34 -5.556080750e-01 -5.556080750e-01 4.36 -5.388419129e-01 -5.388419129e-01 4.38 -5.225069241e-01 -5.225069241e-01 4.40 -5.066066889e-01 -5.066066889e-01 4.42 -4.911425112e-01 -4.911425112e-01 4.44 -4.761130900e-01 -4.761130900e-01 4.46 -4.615143816e-01 -4.615143816e-01 4.48 -4.473396470e-01 -4.473396470e-01 4.50 -4.335796602e-01 -4.335796602e-01 4.52 -4.202230347e-01 -4.202230347e-01 4.54 -4.072566200e-01 -4.072566200e-01 4.56 -3.946659252e-01 -3.946659252e-01 4.58 -3.824355309e-01 -3.824355309e-01 4.60 -3.705494685e-01 -3.705494685e-01 4.62 -3.589915506e-01 -3.589915506e-01 4.64 -3.477456524e-01 -3.477456524e-01 4.66 -3.367959465e-01 -3.367959465e-01 4.68 -3.261271007e-01 -3.261271007e-01 4.70 -3.157244480e-01 -3.157244480e-01 4.72 -3.055741392e-01 -3.055741392e-01 4.74 -2.956632863e-01 -2.956632863e-01 4.76 -2.859801019e-01 -2.859801019e-01 4.78 -2.765140368e-01 -2.765140368e-01 4.80 -2.672547818e-01 -2.672547818e-01 4.82 -2.581971217e-01 -2.581971217e-01 4.84 -2.493336506e-01 -2.493336506e-01 4.86 -2.406600263e-01 -2.406600263e-01 4.88 -2.321736605e-01 -2.321736605e-01 4.90 -2.238737143e-01 -2.238737143e-01 4.92 -2.157610261e-01 -2.157610261e-01 4.94 -2.078379624e-01 -2.078379624e-01 4.96 -2.001081859e-01 -2.001081859e-01 4.98 -1.925763454e-01 -1.925763454e-01 5.00 -1.852477003e-01 -1.852477003e-01 5.02 -1.781277016e-01 -1.781277016e-01 5.04 -1.712215600e-01 -1.712215600e-01 5.06 -1.645338344e-01 -1.645338344e-01 5.08 -1.580680749e-01 -1.580680749e-01 5.10 -1.518265477e-01 -1.518265477e-01 5.12 -1.458100628e-01 -1.458100628e-01 5.14 -1.400179082e-01 -1.400179082e-01 5.16 -1.344478883e-01 -1.344478883e-01 5.18 -1.290964505e-01 -1.290964505e-01 5.20 -1.239588758e-01 -1.239588758e-01 5.22 -1.190295079e-01 -1.190295079e-01 5.24 -1.143019954e-01 -1.143019954e-01 5.26 -1.097695237e-01 -1.097695237e-01 5.28 -1.054250217e-01 -1.054250217e-01 5.30 -1.012613323e-01 -1.012613323e-01 5.32 -9.727134376e-02 -9.727134376e-02 5.34 -9.344808141e-02 -9.344808141e-02 5.36 -8.978476591e-02 -8.978476591e-02 5.38 -8.627484181e-02 -8.627484181e-02 5.40 -8.291198373e-02 -8.291198373e-02 5.42 -7.969008513e-02 -7.969008513e-02 5.44 -7.660323429e-02 -7.660323429e-02 5.46 -7.364568133e-02 -7.364568133e-02 5.48 -7.081179983e-02 -7.081179983e-02 5.50 -6.809604617e-02 -6.809604617e-02 5.52 -6.549292126e-02 -6.549292126e-02 5.54 -6.299693802e-02 -6.299693802e-02 5.56 -6.060259813e-02 -6.060259813e-02 5.58 -5.830438079e-02 -5.830438079e-02 5.60 -5.609674492e-02 -5.609674492e-02 5.62 -5.397414477e-02 -5.397414477e-02 5.64 -5.193105877e-02 -5.193105877e-02 5.66 -4.996202309e-02 -4.996202309e-02 5.68 -4.806167375e-02 -4.806167375e-02 5.70 -4.622479307e-02 -4.622479307e-02 5.72 -4.444635447e-02 -4.444635447e-02 5.74 -4.272156425e-02 -4.272156425e-02 5.76 -4.104585198e-02 -4.104585198e-02 5.78 -3.941496967e-02 -3.941496967e-02 5.80 -3.782503474e-02 -3.782503474e-02 5.82 -3.627255531e-02 -3.627255531e-02 5.84 -3.475442362e-02 -3.475442362e-02 5.86 -3.326793556e-02 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