# 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 = Mg2PbW # 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 4.903611173e+02 4.903611173e+02 1.30 4.553527629e+02 4.553527629e+02 1.32 4.229111273e+02 4.229111273e+02 1.34 3.928457868e+02 3.928457868e+02 1.36 3.649818419e+02 3.649818419e+02 1.38 3.391548063e+02 3.391548063e+02 1.40 3.152080853e+02 3.152080853e+02 1.42 2.929933413e+02 2.929933413e+02 1.44 2.723721867e+02 2.723721867e+02 1.46 2.532174014e+02 2.532174014e+02 1.48 2.354131116e+02 2.354131116e+02 1.50 2.188543074e+02 2.188543074e+02 1.52 2.034461094e+02 2.034461094e+02 1.54 1.891028234e+02 1.891028234e+02 1.56 1.757468103e+02 1.757468103e+02 1.58 1.633073253e+02 1.633073253e+02 1.60 1.517195080e+02 1.517195080e+02 1.62 1.409236562e+02 1.409236562e+02 1.64 1.308647656e+02 1.308647656e+02 1.66 1.214922434e+02 1.214922434e+02 1.68 1.127596492e+02 1.127596492e+02 1.70 1.046248122e+02 1.046248122e+02 1.72 9.704838211e+01 9.704838211e+01 1.74 8.999338042e+01 8.999338042e+01 1.76 8.342974980e+01 8.342974980e+01 1.78 7.732710695e+01 7.732710695e+01 1.80 7.165202886e+01 7.165202886e+01 1.82 6.637302242e+01 6.637302242e+01 1.84 6.146066395e+01 6.146066395e+01 1.86 5.688781492e+01 5.688781492e+01 1.88 5.262978839e+01 5.262978839e+01 1.90 4.866428169e+01 4.866428169e+01 1.92 4.497112790e+01 4.497112790e+01 1.94 4.153196433e+01 4.153196433e+01 1.96 3.832990014e+01 3.832990014e+01 1.98 3.534924672e+01 3.534924672e+01 2.00 3.257531224e+01 3.257531224e+01 2.02 2.999425250e+01 2.999425250e+01 2.04 2.759296693e+01 2.759296693e+01 2.06 2.535903405e+01 2.535903405e+01 2.08 2.328067805e+01 2.328067805e+01 2.10 2.134676716e+01 2.134676716e+01 2.12 1.954683222e+01 1.954683222e+01 2.14 1.787109745e+01 1.787109745e+01 2.16 1.631051570e+01 1.631051570e+01 2.18 1.485678895e+01 1.485678895e+01 2.20 1.350236186e+01 1.350236186e+01 2.22 1.224038337e+01 1.224038337e+01 2.24 1.106464288e+01 1.106464288e+01 2.26 9.969537439e+00 9.969537439e+00 2.28 8.949953906e+00 8.949953906e+00 2.30 8.000998348e+00 8.000998348e+00 2.32 7.118134364e+00 7.118134364e+00 2.34 6.297136080e+00 6.297136080e+00 2.36 5.534031578e+00 5.534031578e+00 2.38 4.825071916e+00 4.825071916e+00 2.40 4.166727920e+00 4.166727920e+00 2.42 3.555867377e+00 3.555867377e+00 2.44 2.989645895e+00 2.989645895e+00 2.46 2.465332610e+00 2.465332610e+00 2.48 1.980327478e+00 1.980327478e+00 2.50 1.532174299e+00 1.532174299e+00 2.52 1.118564958e+00 1.118564958e+00 2.54 7.373367647e-01 7.373367647e-01 2.56 3.864654797e-01 3.864654797e-01 2.58 6.405621517e-02 6.405621517e-02 2.60 -2.316665562e-01 -2.316665562e-01 2.62 -5.023685399e-01 -5.023685399e-01 2.64 -7.496193741e-01 -7.496193741e-01 2.66 -9.748966510e-01 -9.748966510e-01 2.68 -1.179598254e+00 -1.179598254e+00 2.70 -1.365047607e+00 -1.365047607e+00 2.72 -1.532497787e+00 -1.532497787e+00 2.74 -1.683133419e+00 -1.683133419e+00 2.76 -1.818070720e+00 -1.818070720e+00 2.78 -1.938356074e+00 -1.938356074e+00 2.80 -2.044966427e+00 -2.044966427e+00 2.82 -2.138806365e+00 -2.138806365e+00 2.84 -2.220711190e+00 -2.220711190e+00 2.86 -2.291449775e+00 -2.291449775e+00 2.88 -2.351730255e+00 -2.351730255e+00 2.90 -2.402207935e+00 -2.402207935e+00 2.92 -2.443495042e+00 -2.443495042e+00 2.94 -2.476171596e+00 -2.476171596e+00 2.96 -2.500796381e+00 -2.500796381e+00 2.98 -2.517916787e+00 -2.517916787e+00 3.00 -2.528076268e+00 -2.528076268e+00 3.02 -2.531818389e+00 -2.531818389e+00 3.04 -2.529707630e+00 -2.529707630e+00 3.06 -2.522331679e+00 -2.522331679e+00 3.08 -2.510088466e+00 -2.510088466e+00 3.10 -2.493396049e+00 -2.493396049e+00 3.12 -2.472694988e+00 -2.472694988e+00 3.14 -2.448428562e+00 -2.448428562e+00 3.16 -2.420993525e+00 -2.420993525e+00 3.18 -2.390755218e+00 -2.390755218e+00 3.20 -2.358061101e+00 -2.358061101e+00 3.22 -2.323231977e+00 -2.323231977e+00 3.24 -2.286557934e+00 -2.286557934e+00 3.26 -2.248298351e+00 -2.248298351e+00 3.28 -2.208684662e+00 -2.208684662e+00 3.30 -2.167924589e+00 -2.167924589e+00 3.32 -2.126206799e+00 -2.126206799e+00 3.34 -2.083705316e+00 -2.083705316e+00 3.36 -2.040608724e+00 -2.040608724e+00 3.38 -1.997102227e+00 -1.997102227e+00 3.40 -1.953245756e+00 -1.953245756e+00 3.42 -1.909109317e+00 -1.909109317e+00 3.44 -1.864780795e+00 -1.864780795e+00 3.46 -1.820367254e+00 -1.820367254e+00 3.48 -1.775924173e+00 -1.775924173e+00 3.50 -1.731360244e+00 -1.731360244e+00 3.52 -1.686633589e+00 -1.686633589e+00 3.54 -1.641776883e+00 -1.641776883e+00 3.56 -1.596882148e+00 -1.596882148e+00 3.58 -1.552083650e+00 -1.552083650e+00 3.60 -1.507540672e+00 -1.507540672e+00 3.62 -1.463421778e+00 -1.463421778e+00 3.64 -1.419891762e+00 -1.419891762e+00 3.66 -1.377101897e+00 -1.377101897e+00 3.68 -1.335183582e+00 -1.335183582e+00 3.70 -1.294245031e+00 -1.294245031e+00 3.72 -1.254370399e+00 -1.254370399e+00 3.74 -1.215620661e+00 -1.215620661e+00 3.76 -1.178035587e+00 -1.178035587e+00 3.78 -1.141636314e+00 -1.141636314e+00 3.80 -1.106428132e+00 -1.106428132e+00 3.82 -1.072403257e+00 -1.072403257e+00 3.84 -1.039543435e+00 -1.039543435e+00 3.86 -1.007822281e+00 -1.007822281e+00 3.88 -9.772072992e-01 -9.772072992e-01 3.90 -9.476615704e-01 -9.476615704e-01 3.92 -9.191444281e-01 -9.191444281e-01 3.94 -8.916154588e-01 -8.916154588e-01 3.96 -8.650308654e-01 -8.650308654e-01 3.98 -8.393474696e-01 -8.393474696e-01 4.00 -8.145225572e-01 -8.145225572e-01 4.02 -7.905144924e-01 -7.905144924e-01 4.04 -7.672832340e-01 -7.672832340e-01 4.06 -7.447907394e-01 -7.447907394e-01 4.08 -7.230012413e-01 -7.230012413e-01 4.10 -7.018795607e-01 -7.018795607e-01 4.12 -6.813988483e-01 -6.813988483e-01 4.14 -6.615283998e-01 -6.615283998e-01 4.16 -6.422420705e-01 -6.422420705e-01 4.18 -6.235158496e-01 -6.235158496e-01 4.20 -6.053276761e-01 -6.053276761e-01 4.22 -5.876572482e-01 -5.876572482e-01 4.24 -5.704858383e-01 -5.704858383e-01 4.26 -5.537961203e-01 -5.537961203e-01 4.28 -5.375720136e-01 -5.375720136e-01 4.30 -5.217985446e-01 -5.217985446e-01 4.32 -5.064617265e-01 -5.064617265e-01 4.34 -4.915484526e-01 -4.915484526e-01 4.36 -4.770464033e-01 -4.770464033e-01 4.38 -4.629439619e-01 -4.629439619e-01 4.40 -4.492301375e-01 -4.492301375e-01 4.42 -4.358944937e-01 -4.358944937e-01 4.44 -4.229270799e-01 -4.229270799e-01 4.46 -4.103183665e-01 -4.103183665e-01 4.48 -3.980591834e-01 -3.980591834e-01 4.50 -3.861406621e-01 -3.861406621e-01 4.52 -3.745541823e-01 -3.745541823e-01 4.54 -3.632913244e-01 -3.632913244e-01 4.56 -3.523438288e-01 -3.523438288e-01 4.58 -3.417035621e-01 -3.417035621e-01 4.60 -3.313624913e-01 -3.313624913e-01 4.62 -3.213126662e-01 -3.213126662e-01 4.64 -3.115462093e-01 -3.115462093e-01 4.66 -3.020553126e-01 -3.020553126e-01 4.68 -2.928322407e-01 -2.928322407e-01 4.70 -2.838693383e-01 -2.838693383e-01 4.72 -2.751590407e-01 -2.751590407e-01 4.74 -2.666938863e-01 -2.666938863e-01 4.76 -2.584665287e-01 -2.584665287e-01 4.78 -2.504697471e-01 -2.504697471e-01 4.80 -2.426953092e-01 -2.426953092e-01 4.82 -2.351387508e-01 -2.351387508e-01 4.84 -2.277919025e-01 -2.277919025e-01 4.86 -2.206481118e-01 -2.206481118e-01 4.88 -2.137008692e-01 -2.137008692e-01 4.90 -2.069438088e-01 -2.069438088e-01 4.92 -2.003707094e-01 -2.003707094e-01 4.94 -1.939754992e-01 -1.939754992e-01 4.96 -1.877522655e-01 -1.877522655e-01 4.98 -1.816952683e-01 -1.816952683e-01 5.00 -1.757989617e-01 -1.757989617e-01 5.02 -1.700580205e-01 -1.700580205e-01 5.04 -1.644673734e-01 -1.644673734e-01 5.06 -1.590222408e-01 -1.590222408e-01 5.08 -1.537181761e-01 -1.537181761e-01 5.10 -1.485511074e-01 -1.485511074e-01 5.12 -1.435173776e-01 -1.435173776e-01 5.14 -1.386137775e-01 -1.386137775e-01 5.16 -1.338375695e-01 -1.338375695e-01 5.18 -1.291864975e-01 -1.291864975e-01 5.20 -1.246587796e-01 -1.246587796e-01 5.22 -1.202530808e-01 -1.202530808e-01 5.24 -1.159684654e-01 -1.159684654e-01 5.26 -1.118043297e-01 -1.118043297e-01 5.28 -1.077603180e-01 -1.077603180e-01 5.30 -1.038362277e-01 -1.038362277e-01 5.32 -1.000319072e-01 -1.000319072e-01 5.34 -9.634715666e-02 -9.634715666e-02 5.36 -9.278163466e-02 -9.278163466e-02 5.38 -8.933477717e-02 -8.933477717e-02 5.40 -8.600573130e-02 -8.600573130e-02 5.42 -8.279330518e-02 -8.279330518e-02 5.44 -7.969593282e-02 -7.969593282e-02 5.46 -7.671165237e-02 -7.671165237e-02 5.48 -7.383809567e-02 -7.383809567e-02 5.50 -7.107248735e-02 -7.107248735e-02 5.52 -6.841165315e-02 -6.841165315e-02 5.54 -6.585203714e-02 -6.585203714e-02 5.56 -6.338972864e-02 -6.338972864e-02 5.58 -6.102049907e-02 -6.102049907e-02 5.60 -5.873984887e-02 -5.873984887e-02 5.62 -5.654306350e-02 -5.654306350e-02 5.64 -5.442527777e-02 -5.442527777e-02 5.66 -5.238153908e-02 -5.238153908e-02 5.68 -5.040687764e-02 -5.040687764e-02 5.70 -4.849637400e-02 -4.849637400e-02 5.72 -4.664522207e-02 -4.664522207e-02 5.74 -4.484878602e-02 -4.484878602e-02 5.76 -4.310260276e-02 -4.310260276e-02 5.78 -4.140249421e-02 -4.140249421e-02 5.80 -3.974461625e-02 -3.974461625e-02 5.82 -3.812548428e-02 -3.812548428e-02 5.84 -3.654197748e-02 -3.654197748e-02 5.86 -3.499136273e-02 -3.499136273e-02 5.88 -3.347131497e-02 -3.347131497e-02 5.90 -3.197993341e-02 -3.197993341e-02 5.92 -3.051575306e-02 -3.051575306e-02 5.94 -2.907771686e-02 -2.907771686e-02 5.96 -2.766488387e-02 -2.766488387e-02 5.98 -2.627709506e-02 -2.627709506e-02 6.00 -2.491472126e-02 -2.491472126e-02