# 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 = MgPb2Ta # 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 4.767205945e+02 4.767205945e+02 1.30 4.448321504e+02 4.448321504e+02 1.32 4.152126116e+02 4.152126116e+02 1.34 3.876863268e+02 3.876863268e+02 1.36 3.620874402e+02 3.620874402e+02 1.38 3.382613360e+02 3.382613360e+02 1.40 3.160662945e+02 3.160662945e+02 1.42 2.953741183e+02 2.953741183e+02 1.44 2.760693264e+02 2.760693264e+02 1.46 2.580474845e+02 2.580474845e+02 1.48 2.412137163e+02 2.412137163e+02 1.50 2.254819583e+02 2.254819583e+02 1.52 2.107745345e+02 2.107745345e+02 1.54 1.970213395e+02 1.970213395e+02 1.56 1.841583293e+02 1.841583293e+02 1.58 1.721259015e+02 1.721259015e+02 1.60 1.608678074e+02 1.608678074e+02 1.62 1.503308627e+02 1.503308627e+02 1.64 1.404651176e+02 1.404651176e+02 1.66 1.312241326e+02 1.312241326e+02 1.68 1.225650602e+02 1.225650602e+02 1.70 1.144484507e+02 1.144484507e+02 1.72 1.068378863e+02 1.068378863e+02 1.74 9.970011335e+01 9.970011335e+01 1.76 9.300747206e+01 9.300747206e+01 1.78 8.673082174e+01 8.673082174e+01 1.80 8.084206154e+01 8.084206154e+01 1.82 7.532038325e+01 7.532038325e+01 1.84 7.014907830e+01 7.014907830e+01 1.86 6.530455607e+01 6.530455607e+01 1.88 6.076501630e+01 6.076501630e+01 1.90 5.651049682e+01 5.651049682e+01 1.92 5.252282162e+01 5.252282162e+01 1.94 4.878557682e+01 4.878557682e+01 1.96 4.528402411e+01 4.528402411e+01 1.98 4.200491868e+01 4.200491868e+01 2.00 3.893619406e+01 3.893619406e+01 2.02 3.606656708e+01 3.606656708e+01 2.04 3.338516110e+01 3.338516110e+01 2.06 3.088125268e+01 3.088125268e+01 2.08 2.854419426e+01 2.854419426e+01 2.10 2.636347834e+01 2.636347834e+01 2.12 2.432889255e+01 2.432889255e+01 2.14 2.243067024e+01 2.243067024e+01 2.16 2.065960259e+01 2.065960259e+01 2.18 1.900709376e+01 1.900709376e+01 2.20 1.746516128e+01 1.746516128e+01 2.22 1.602640624e+01 1.602640624e+01 2.24 1.468396365e+01 1.468396365e+01 2.26 1.343144642e+01 1.343144642e+01 2.28 1.226289186e+01 1.226289186e+01 2.30 1.117270769e+01 1.117270769e+01 2.32 1.015562433e+01 1.015562433e+01 2.34 9.206671531e+00 9.206671531e+00 2.36 8.321154047e+00 8.321154047e+00 2.38 7.494650772e+00 7.494650772e+00 2.40 6.723022683e+00 6.723022683e+00 2.42 6.002444805e+00 6.002444805e+00 2.44 5.329492241e+00 5.329492241e+00 2.46 4.700823516e+00 4.700823516e+00 2.48 4.113394912e+00 4.113394912e+00 2.50 3.564490654e+00 3.564490654e+00 2.52 3.051683311e+00 3.051683311e+00 2.54 2.572787905e+00 2.572787905e+00 2.56 2.125816531e+00 2.125816531e+00 2.58 1.709002019e+00 1.709002019e+00 2.60 1.320846084e+00 1.320846084e+00 2.62 9.599155556e-01 9.599155556e-01 2.64 6.248056198e-01 6.248056198e-01 2.66 3.141516225e-01 3.141516225e-01 2.68 2.662624755e-02 2.662624755e-02 2.70 -2.390562229e-01 -2.390562229e-01 2.72 -4.841371481e-01 -4.841371481e-01 2.74 -7.098106163e-01 -7.098106163e-01 2.76 -9.172205749e-01 -9.172205749e-01 2.78 -1.107458133e+00 -1.107458133e+00 2.80 -1.281560783e+00 -1.281560783e+00 2.82 -1.440510203e+00 -1.440510203e+00 2.84 -1.585233652e+00 -1.585233652e+00 2.86 -1.716604978e+00 -1.716604978e+00 2.88 -1.835446608e+00 -1.835446608e+00 2.90 -1.942531983e+00 -1.942531983e+00 2.92 -2.038588226e+00 -2.038588226e+00 2.94 -2.124298889e+00 -2.124298889e+00 2.96 -2.200306715e+00 -2.200306715e+00 2.98 -2.267216431e+00 -2.267216431e+00 3.00 -2.325597603e+00 -2.325597603e+00 3.02 -2.375987641e+00 -2.375987641e+00 3.04 -2.418894376e+00 -2.418894376e+00 3.06 -2.454802098e+00 -2.454802098e+00 3.08 -2.484170995e+00 -2.484170995e+00 3.10 -2.507443741e+00 -2.507443741e+00 3.12 -2.525046678e+00 -2.525046678e+00 3.14 -2.537398524e+00 -2.537398524e+00 3.16 -2.544902448e+00 -2.544902448e+00 3.18 -2.547952927e+00 -2.547952927e+00 3.20 -2.546932397e+00 -2.546932397e+00 3.22 -2.542208516e+00 -2.542208516e+00 3.24 -2.534130887e+00 -2.534130887e+00 3.26 -2.523028082e+00 -2.523028082e+00 3.28 -2.509205542e+00 -2.509205542e+00 3.30 -2.492944546e+00 -2.492944546e+00 3.32 -2.474502022e+00 -2.474502022e+00 3.34 -2.454110793e+00 -2.454110793e+00 3.36 -2.431979877e+00 -2.431979877e+00 3.38 -2.408348107e+00 -2.408348107e+00 3.40 -2.383410196e+00 -2.383410196e+00 3.42 -2.357200903e+00 -2.357200903e+00 3.44 -2.329753447e+00 -2.329753447e+00 3.46 -2.301101695e+00 -2.301101695e+00 3.48 -2.271276459e+00 -2.271276459e+00 3.50 -2.240302411e+00 -2.240302411e+00 3.52 -2.208172328e+00 -2.208172328e+00 3.54 -2.174845895e+00 -2.174845895e+00 3.56 -2.140272352e+00 -2.140272352e+00 3.58 -2.104403695e+00 -2.104403695e+00 3.60 -2.067203614e+00 -2.067203614e+00 3.62 -2.028646987e+00 -2.028646987e+00 3.64 -1.988721388e+00 -1.988721388e+00 3.66 -1.947430043e+00 -1.947430043e+00 3.68 -1.904795728e+00 -1.904795728e+00 3.70 -1.860865038e+00 -1.860865038e+00 3.72 -1.815712427e+00 -1.815712427e+00 3.74 -1.769443371e+00 -1.769443371e+00 3.76 -1.722196073e+00 -1.722196073e+00 3.78 -1.674141250e+00 -1.674141250e+00 3.80 -1.625479709e+00 -1.625479709e+00 3.82 -1.576437677e+00 -1.576437677e+00 3.84 -1.527260086e+00 -1.527260086e+00 3.86 -1.478202259e+00 -1.478202259e+00 3.88 -1.429520625e+00 -1.429520625e+00 3.90 -1.381463248e+00 -1.381463248e+00 3.92 -1.334260066e+00 -1.334260066e+00 3.94 -1.288118878e+00 -1.288118878e+00 3.96 -1.243213980e+00 -1.243213980e+00 3.98 -1.199686522e+00 -1.199686522e+00 4.00 -1.157642104e+00 -1.157642104e+00 4.02 -1.117151465e+00 -1.117151465e+00 4.04 -1.078252846e+00 -1.078252846e+00 4.06 -1.040955592e+00 -1.040955592e+00 4.08 -1.005244503e+00 -1.005244503e+00 4.10 -9.710818641e-01 -9.710818641e-01 4.12 -9.384230258e-01 -9.384230258e-01 4.14 -9.072034245e-01 -9.072034245e-01 4.16 -8.773544812e-01 -8.773544812e-01 4.18 -8.488036004e-01 -8.488036004e-01 4.20 -8.214767722e-01 -8.214767722e-01 4.22 -7.953006004e-01 -7.953006004e-01 4.24 -7.702038121e-01 -7.702038121e-01 4.26 -7.461183206e-01 -7.461183206e-01 4.28 -7.229799194e-01 -7.229799194e-01 4.30 -7.007286797e-01 -7.007286797e-01 4.32 -6.793091189e-01 -6.793091189e-01 4.34 -6.586701972e-01 -6.586701972e-01 4.36 -6.387651889e-01 -6.387651889e-01 4.38 -6.195514689e-01 -6.195514689e-01 4.40 -6.009902428e-01 -6.009902428e-01 4.42 -5.830462444e-01 -5.830462444e-01 4.44 -5.656874196e-01 -5.656874196e-01 4.46 -5.488846075e-01 -5.488846075e-01 4.48 -5.326112305e-01 -5.326112305e-01 4.50 -5.168429994e-01 -5.168429994e-01 4.52 -5.015576381e-01 -5.015576381e-01 4.54 -4.867346318e-01 -4.867346318e-01 4.56 -4.723549986e-01 -4.723549986e-01 4.58 -4.584010883e-01 -4.584010883e-01 4.60 -4.448564046e-01 -4.448564046e-01 4.62 -4.317054526e-01 -4.317054526e-01 4.64 -4.189336087e-01 -4.189336087e-01 4.66 -4.065270113e-01 -4.065270113e-01 4.68 -3.944724702e-01 -3.944724702e-01 4.70 -3.827573922e-01 -3.827573922e-01 4.72 -3.713697195e-01 -3.713697195e-01 4.74 -3.602978792e-01 -3.602978792e-01 4.76 -3.495307415e-01 -3.495307415e-01 4.78 -3.390575834e-01 -3.390575834e-01 4.80 -3.288663550e-01 -3.288663550e-01 4.82 -3.189507372e-01 -3.189507372e-01 4.84 -3.092990351e-01 -3.092990351e-01 4.86 -2.999018871e-01 -2.999018871e-01 4.88 -2.907502196e-01 -2.907502196e-01 4.90 -2.818352372e-01 -2.818352372e-01 4.92 -2.731484209e-01 -2.731484209e-01 4.94 -2.646815346e-01 -2.646815346e-01 4.96 -2.564266420e-01 -2.564266420e-01 4.98 -2.483761346e-01 -2.483761346e-01 5.00 -2.405227716e-01 -2.405227716e-01 5.02 -2.328597310e-01 -2.328597310e-01 5.04 -2.253806710e-01 -2.253806710e-01 5.06 -2.180797996e-01 -2.180797996e-01 5.08 -2.109519478e-01 -2.109519478e-01 5.10 -2.039926433e-01 -2.039926433e-01 5.12 -1.971981765e-01 -1.971981765e-01 5.14 -1.905656535e-01 -1.905656535e-01 5.16 -1.840930255e-01 -1.840930255e-01 5.18 -1.777790887e-01 -1.777790887e-01 5.20 -1.716234492e-01 -1.716234492e-01 5.22 -1.656264455e-01 -1.656264455e-01 5.24 -1.597890286e-01 -1.597890286e-01 5.26 -1.541126014e-01 -1.541126014e-01 5.28 -1.485988240e-01 -1.485988240e-01 5.30 -1.432493981e-01 -1.432493981e-01 5.32 -1.380658410e-01 -1.380658410e-01 5.34 -1.330492670e-01 -1.330492670e-01 5.36 -1.282001928e-01 -1.282001928e-01 5.38 -1.235183789e-01 -1.235183789e-01 5.40 -1.190027162e-01 -1.190027162e-01 5.42 -1.146511626e-01 -1.146511626e-01 5.44 -1.104607278e-01 -1.104607278e-01 5.46 -1.064275034e-01 -1.064275034e-01 5.48 -1.025467289e-01 -1.025467289e-01 5.50 -9.881288471e-02 -9.881288471e-02 5.52 -9.521974378e-02 -9.521974378e-02 5.54 -9.176034761e-02 -9.176034761e-02 5.56 -8.842768057e-02 -8.842768057e-02 5.58 -8.521446432e-02 -8.521446432e-02 5.60 -8.211322538e-02 -8.211322538e-02 5.62 -7.911640982e-02 -7.911640982e-02 5.64 -7.621648755e-02 -7.621648755e-02 5.66 -7.340604562e-02 -7.340604562e-02 5.68 -7.067787109e-02 -7.067787109e-02 5.70 -6.802502385e-02 -6.802502385e-02 5.72 -6.544090093e-02 -6.544090093e-02 5.74 -6.291929328e-02 -6.291929328e-02 5.76 -6.045443698e-02 -6.045443698e-02 5.78 -5.804106036e-02 -5.804106036e-02 5.80 -5.567442711e-02 -5.567442711e-02 5.82 -5.335037829e-02 -5.335037829e-02 5.84 -5.106537240e-02 -5.106537240e-02 5.86 -4.881652322e-02 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