# 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 = MgNi2Pd # 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 2.240902406e+02 2.240902406e+02 1.30 2.067709672e+02 2.067709672e+02 1.32 1.907786891e+02 1.907786891e+02 1.34 1.760060436e+02 1.760060436e+02 1.36 1.623554503e+02 1.623554503e+02 1.38 1.497369886e+02 1.497369886e+02 1.40 1.380673156e+02 1.380673156e+02 1.42 1.272698637e+02 1.272698637e+02 1.44 1.172753299e+02 1.172753299e+02 1.46 1.080214744e+02 1.080214744e+02 1.48 9.945215608e+01 9.945215608e+01 1.50 9.151613305e+01 9.151613305e+01 1.52 8.416605302e+01 8.416605302e+01 1.54 7.735775040e+01 7.735775040e+01 1.56 7.104978083e+01 7.104978083e+01 1.58 6.520319090e+01 6.520319090e+01 1.60 5.978201599e+01 5.978201599e+01 1.62 5.476636823e+01 5.476636823e+01 1.64 5.013082357e+01 5.013082357e+01 1.66 4.584648666e+01 4.584648666e+01 1.68 4.188752647e+01 4.188752647e+01 1.70 3.823033583e+01 3.823033583e+01 1.72 3.485287120e+01 3.485287120e+01 1.74 3.173430075e+01 3.173430075e+01 1.76 2.885498092e+01 2.885498092e+01 1.78 2.619661733e+01 2.619661733e+01 1.80 2.374238882e+01 2.374238882e+01 1.82 2.147691093e+01 2.147691093e+01 1.84 1.938606279e+01 1.938606279e+01 1.86 1.745679075e+01 1.745679075e+01 1.88 1.567696146e+01 1.567696146e+01 1.90 1.403529050e+01 1.403529050e+01 1.92 1.252131783e+01 1.252131783e+01 1.94 1.112540009e+01 1.112540009e+01 1.96 9.838691893e+00 9.838691893e+00 1.98 8.653109026e+00 8.653109026e+00 2.00 7.561267817e+00 7.561267817e+00 2.02 6.556403862e+00 6.556403862e+00 2.04 5.632285495e+00 5.632285495e+00 2.06 4.783138987e+00 4.783138987e+00 2.08 4.003595949e+00 4.003595949e+00 2.10 3.288662586e+00 3.288662586e+00 2.12 2.633703904e+00 2.633703904e+00 2.14 2.034430101e+00 2.034430101e+00 2.16 1.486876750e+00 1.486876750e+00 2.18 9.873728087e-01 9.873728087e-01 2.20 5.325010616e-01 5.325010616e-01 2.22 1.190571976e-01 1.190571976e-01 2.24 -2.559818850e-01 -2.559818850e-01 2.26 -5.954784923e-01 -5.954784923e-01 2.28 -9.021487176e-01 -9.021487176e-01 2.30 -1.178577233e+00 -1.178577233e+00 2.32 -1.427236903e+00 -1.427236903e+00 2.34 -1.650498926e+00 -1.650498926e+00 2.36 -1.850625874e+00 -1.850625874e+00 2.38 -2.029741177e+00 -2.029741177e+00 2.40 -2.189790969e+00 -2.189790969e+00 2.42 -2.332513776e+00 -2.332513776e+00 2.44 -2.459442392e+00 -2.459442392e+00 2.46 -2.571931318e+00 -2.571931318e+00 2.48 -2.671189812e+00 -2.671189812e+00 2.50 -2.758553200e+00 -2.758553200e+00 2.52 -2.835148601e+00 -2.835148601e+00 2.54 -2.901664733e+00 -2.901664733e+00 2.56 -2.958570484e+00 -2.958570484e+00 2.58 -3.006136082e+00 -3.006136082e+00 2.60 -3.044657628e+00 -3.044657628e+00 2.62 -3.074462104e+00 -3.074462104e+00 2.64 -3.095906987e+00 -3.095906987e+00 2.66 -3.109403885e+00 -3.109403885e+00 2.68 -3.115434418e+00 -3.115434418e+00 2.70 -3.114512994e+00 -3.114512994e+00 2.72 -3.107184855e+00 -3.107184855e+00 2.74 -3.094021546e+00 -3.094021546e+00 2.76 -3.075608357e+00 -3.075608357e+00 2.78 -3.052525266e+00 -3.052525266e+00 2.80 -3.025326652e+00 -3.025326652e+00 2.82 -2.994523661e+00 -2.994523661e+00 2.84 -2.960576287e+00 -2.960576287e+00 2.86 -2.923894018e+00 -2.923894018e+00 2.88 -2.884843421e+00 -2.884843421e+00 2.90 -2.843758007e+00 -2.843758007e+00 2.92 -2.800946163e+00 -2.800946163e+00 2.94 -2.756694723e+00 -2.756694723e+00 2.96 -2.711268127e+00 -2.711268127e+00 2.98 -2.664904954e+00 -2.664904954e+00 3.00 -2.617814329e+00 -2.617814329e+00 3.02 -2.570174310e+00 -2.570174310e+00 3.04 -2.522133005e+00 -2.522133005e+00 3.06 -2.473813425e+00 -2.473813425e+00 3.08 -2.425317661e+00 -2.425317661e+00 3.10 -2.376741275e+00 -2.376741275e+00 3.12 -2.328174920e+00 -2.328174920e+00 3.14 -2.279674465e+00 -2.279674465e+00 3.16 -2.231295050e+00 -2.231295050e+00 3.18 -2.183094381e+00 -2.183094381e+00 3.20 -2.135132058e+00 -2.135132058e+00 3.22 -2.087468701e+00 -2.087468701e+00 3.24 -2.040164928e+00 -2.040164928e+00 3.26 -1.993278561e+00 -1.993278561e+00 3.28 -1.946844251e+00 -1.946844251e+00 3.30 -1.900883396e+00 -1.900883396e+00 3.32 -1.855420376e+00 -1.855420376e+00 3.34 -1.810480458e+00 -1.810480458e+00 3.36 -1.766087635e+00 -1.766087635e+00 3.38 -1.722262890e+00 -1.722262890e+00 3.40 -1.679022960e+00 -1.679022960e+00 3.42 -1.636379891e+00 -1.636379891e+00 3.44 -1.594340660e+00 -1.594340660e+00 3.46 -1.552907618e+00 -1.552907618e+00 3.48 -1.512078920e+00 -1.512078920e+00 3.50 -1.471849141e+00 -1.471849141e+00 3.52 -1.432209933e+00 -1.432209933e+00 3.54 -1.393150708e+00 -1.393150708e+00 3.56 -1.354659290e+00 -1.354659290e+00 3.58 -1.316722532e+00 -1.316722532e+00 3.60 -1.279326865e+00 -1.279326865e+00 3.62 -1.242458786e+00 -1.242458786e+00 3.64 -1.206105324e+00 -1.206105324e+00 3.66 -1.170254521e+00 -1.170254521e+00 3.68 -1.134896005e+00 -1.134896005e+00 3.70 -1.100021741e+00 -1.100021741e+00 3.72 -1.065626988e+00 -1.065626988e+00 3.74 -1.031711460e+00 -1.031711460e+00 3.76 -9.982806180e-01 -9.982806180e-01 3.78 -9.653469018e-01 -9.653469018e-01 3.80 -9.329306630e-01 -9.329306630e-01 3.82 -9.010604918e-01 -9.010604918e-01 3.84 -8.697726568e-01 -8.697726568e-01 3.86 -8.391094797e-01 -8.391094797e-01 3.88 -8.091166506e-01 -8.091166506e-01 3.90 -7.798397227e-01 -7.798397227e-01 3.92 -7.513201592e-01 -7.513201592e-01 3.94 -7.235920913e-01 -7.235920913e-01 3.96 -6.966788986e-01 -6.966788986e-01 3.98 -6.705920814e-01 -6.705920814e-01 4.00 -6.453309924e-01 -6.453309924e-01 4.02 -6.208839758e-01 -6.208839758e-01 4.04 -5.972304487e-01 -5.972304487e-01 4.06 -5.743434514e-01 -5.743434514e-01 4.08 -5.521921898e-01 -5.521921898e-01 4.10 -5.307438945e-01 -5.307438945e-01 4.12 -5.099665351e-01 -5.099665351e-01 4.14 -4.898277083e-01 -4.898277083e-01 4.16 -4.702961469e-01 -4.702961469e-01 4.18 -4.513410739e-01 -4.513410739e-01 4.20 -4.329317197e-01 -4.329317197e-01 4.22 -4.150369012e-01 -4.150369012e-01 4.24 -3.976248758e-01 -3.976248758e-01 4.26 -3.806636105e-01 -3.806636105e-01 4.28 -3.641215140e-01 -3.641215140e-01 4.30 -3.479685922e-01 -3.479685922e-01 4.32 -3.321779167e-01 -3.321779167e-01 4.34 -3.167272400e-01 -3.167272400e-01 4.36 -3.016005634e-01 -3.016005634e-01 4.38 -2.867894498e-01 -2.867894498e-01 4.40 -2.722938830e-01 -2.722938830e-01 4.42 -2.581225045e-01 -2.581225045e-01 4.44 -2.442921157e-01 -2.442921157e-01 4.46 -2.308264135e-01 -2.308264135e-01 4.48 -2.177540310e-01 -2.177540310e-01 4.50 -2.051060597e-01 -2.051060597e-01 4.52 -1.929133241e-01 -1.929133241e-01 4.54 -1.812037289e-01 -1.812037289e-01 4.56 -1.700000006e-01 -1.700000006e-01 4.58 -1.593180799e-01 -1.593180799e-01 4.60 -1.491663163e-01 -1.491663163e-01 4.62 -1.395454859e-01 -1.395454859e-01 4.64 -1.304495318e-01 -1.304495318e-01 4.66 -1.218668272e-01 -1.218668272e-01 4.68 -1.137817034e-01 -1.137817034e-01 4.70 -1.061760544e-01 -1.061760544e-01 4.72 -9.903075670e-02 -9.903075670e-02 4.74 -9.232592435e-02 -9.232592435e-02 4.76 -8.604332109e-02 -8.604332109e-02 4.78 -8.016668636e-02 -8.016668636e-02 4.80 -7.468018570e-02 -7.468018570e-02 4.82 -6.956921808e-02 -6.956921808e-02 4.84 -6.481878630e-02 -6.481878630e-02 4.86 -6.041407737e-02 -6.041407737e-02 4.88 -5.633986049e-02 -5.633986049e-02 4.90 -5.258022890e-02 -5.258022890e-02 4.92 -4.911847466e-02 -4.911847466e-02 4.94 -4.593709334e-02 -4.593709334e-02 4.96 -4.301792673e-02 -4.301792673e-02 4.98 -4.034243296e-02 -4.034243296e-02 5.00 -3.789193770e-02 -3.789193770e-02 5.02 -3.564793509e-02 -3.564793509e-02 5.04 -3.359237503e-02 -3.359237503e-02 5.06 -3.170791346e-02 -3.170791346e-02 5.08 -2.997811287e-02 -2.997811287e-02 5.10 -2.838758745e-02 -2.838758745e-02 5.12 -2.692209533e-02 -2.692209533e-02 5.14 -2.556858305e-02 -2.556858305e-02 5.16 -2.431518996e-02 -2.431518996e-02 5.18 -2.315122131e-02 -2.315122131e-02 5.20 -2.206709882e-02 -2.206709882e-02 5.22 -2.105429615e-02 -2.105429615e-02 5.24 -2.010526578e-02 -2.010526578e-02 5.26 -1.921336228e-02 -1.921336228e-02 5.28 -1.837276551e-02 -1.837276551e-02 5.30 -1.757840629e-02 -1.757840629e-02 5.32 -1.682589557e-02 -1.682589557e-02 5.34 -1.611145768e-02 -1.611145768e-02 5.36 -1.543186719e-02 -1.543186719e-02 5.38 -1.478436071e-02 -1.478436071e-02 5.40 -1.416661409e-02 -1.416661409e-02 5.42 -1.357671147e-02 -1.357671147e-02 5.44 -1.301305308e-02 -1.301305308e-02 5.46 -1.247429998e-02 -1.247429998e-02 5.48 -1.195931992e-02 -1.195931992e-02 5.50 -1.146713536e-02 -1.146713536e-02 5.52 -1.099687536e-02 -1.099687536e-02 5.54 -1.054773294e-02 -1.054773294e-02 5.56 -1.011892952e-02 -1.011892952e-02 5.58 -9.709687611e-03 -9.709687611e-03 5.60 -9.319212101e-03 -9.319212101e-03 5.62 -8.946679964e-03 -8.946679964e-03 5.64 -8.591237358e-03 -8.591237358e-03 5.66 -8.252002694e-03 -8.252002694e-03 5.68 -7.928073950e-03 -7.928073950e-03 5.70 -7.618538497e-03 -7.618538497e-03 5.72 -7.322483880e-03 -7.322483880e-03 5.74 -7.039008310e-03 -7.039008310e-03 5.76 -6.767230004e-03 -6.767230004e-03 5.78 -6.506294855e-03 -6.506294855e-03 5.80 -6.255382251e-03 -6.255382251e-03 5.82 -6.013709095e-03 -6.013709095e-03 5.84 -5.780532237e-03 -5.780532237e-03 5.86 -5.555149655e-03 -5.555149655e-03 5.88 -5.336900730e-03 -5.336900730e-03 5.90 -5.125165987e-03 -5.125165987e-03 5.92 -4.919366643e-03 -4.919366643e-03 5.94 -4.718964243e-03 -4.718964243e-03 5.96 -4.523460659e-03 -4.523460659e-03 5.98 -4.332398614e-03 -4.332398614e-03 6.00 -4.145362891e-03 -4.145362891e-03