# 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 = Mo2NiPb # 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 3.046946990e+02 3.046946990e+02 1.30 2.830699733e+02 2.830699733e+02 1.32 2.630172351e+02 2.630172351e+02 1.34 2.444070235e+02 2.444070235e+02 1.36 2.271235262e+02 2.271235262e+02 1.38 2.110633281e+02 2.110633281e+02 1.40 1.961334996e+02 1.961334996e+02 1.42 1.822493601e+02 1.822493601e+02 1.44 1.693326858e+02 1.693326858e+02 1.46 1.573107224e+02 1.573107224e+02 1.48 1.461159444e+02 1.461159444e+02 1.50 1.356862567e+02 1.356862567e+02 1.52 1.259652698e+02 1.259652698e+02 1.54 1.169022230e+02 1.169022230e+02 1.56 1.084513229e+02 1.084513229e+02 1.58 1.005706784e+02 1.005706784e+02 1.60 9.322127391e+01 9.322127391e+01 1.62 8.636633675e+01 8.636633675e+01 1.64 7.997108557e+01 7.997108557e+01 1.66 7.400270842e+01 7.400270842e+01 1.68 6.843043049e+01 6.843043049e+01 1.70 6.322567971e+01 6.322567971e+01 1.72 5.836230400e+01 5.836230400e+01 1.74 5.381674749e+01 5.381674749e+01 1.76 4.957101813e+01 4.957101813e+01 1.78 4.560923290e+01 4.560923290e+01 1.80 4.192021749e+01 4.192021749e+01 1.82 3.849117685e+01 3.849117685e+01 1.84 3.530631893e+01 3.530631893e+01 1.86 3.235050227e+01 3.235050227e+01 1.88 2.960907831e+01 2.960907831e+01 1.90 2.706784592e+01 2.706784592e+01 1.92 2.471309861e+01 2.471309861e+01 1.94 2.253171420e+01 2.253171420e+01 1.96 2.051123461e+01 2.051123461e+01 1.98 1.863991733e+01 1.863991733e+01 2.00 1.690673843e+01 1.690673843e+01 2.02 1.530135314e+01 1.530135314e+01 2.04 1.381402986e+01 1.381402986e+01 2.06 1.243558708e+01 1.243558708e+01 2.08 1.115735697e+01 1.115735697e+01 2.10 9.971191510e+00 9.971191510e+00 2.12 8.869506184e+00 8.869506184e+00 2.14 7.845342553e+00 7.845342553e+00 2.16 6.892426966e+00 6.892426966e+00 2.18 6.005199165e+00 6.005199165e+00 2.20 5.178792046e+00 5.178792046e+00 2.22 4.408966500e+00 4.408966500e+00 2.24 3.692009483e+00 3.692009483e+00 2.26 3.024616063e+00 3.024616063e+00 2.28 2.403771097e+00 2.403771097e+00 2.30 1.826655829e+00 1.826655829e+00 2.32 1.290574278e+00 1.290574278e+00 2.34 7.929276534e-01 7.929276534e-01 2.36 3.312127155e-01 3.312127155e-01 2.38 -9.695058419e-02 -9.695058419e-02 2.40 -4.937848597e-01 -4.937848597e-01 2.42 -8.613289180e-01 -8.613289180e-01 2.44 -1.201428946e+00 -1.201428946e+00 2.46 -1.515744829e+00 -1.515744829e+00 2.48 -1.805766437e+00 -1.805766437e+00 2.50 -2.072779880e+00 -2.072779880e+00 2.52 -2.317770873e+00 -2.317770873e+00 2.54 -2.542030557e+00 -2.542030557e+00 2.56 -2.746772677e+00 -2.746772677e+00 2.58 -2.933085757e+00 -2.933085757e+00 2.60 -3.101956751e+00 -3.101956751e+00 2.62 -3.254293383e+00 -3.254293383e+00 2.64 -3.390949397e+00 -3.390949397e+00 2.66 -3.512738355e+00 -3.512738355e+00 2.68 -3.620256077e+00 -3.620256077e+00 2.70 -3.713821732e+00 -3.713821732e+00 2.72 -3.793803483e+00 -3.793803483e+00 2.74 -3.860638674e+00 -3.860638674e+00 2.76 -3.914819625e+00 -3.914819625e+00 2.78 -3.956877193e+00 -3.956877193e+00 2.80 -3.987366934e+00 -3.987366934e+00 2.82 -4.006859765e+00 -4.006859765e+00 2.84 -4.015940469e+00 -4.015940469e+00 2.86 -4.015208123e+00 -4.015208123e+00 2.88 -4.005218004e+00 -4.005218004e+00 2.90 -3.986521793e+00 -3.986521793e+00 2.92 -3.959740439e+00 -3.959740439e+00 2.94 -3.925563800e+00 -3.925563800e+00 2.96 -3.884740989e+00 -3.884740989e+00 2.98 -3.838062763e+00 -3.838062763e+00 3.00 -3.786336738e+00 -3.786336738e+00 3.02 -3.730357827e+00 -3.730357827e+00 3.04 -3.670877010e+00 -3.670877010e+00 3.06 -3.608575372e+00 -3.608575372e+00 3.08 -3.544039394e+00 -3.544039394e+00 3.10 -3.477750251e+00 -3.477750251e+00 3.12 -3.410078563e+00 -3.410078563e+00 3.14 -3.341292924e+00 -3.341292924e+00 3.16 -3.271564151e+00 -3.271564151e+00 3.18 -3.200983982e+00 -3.200983982e+00 3.20 -3.129579403e+00 -3.129579403e+00 3.22 -3.057328163e+00 -3.057328163e+00 3.24 -2.984173786e+00 -2.984173786e+00 3.26 -2.910063477e+00 -2.910063477e+00 3.28 -2.834951467e+00 -2.834951467e+00 3.30 -2.758662536e+00 -2.758662536e+00 3.32 -2.681051004e+00 -2.681051004e+00 3.34 -2.602029887e+00 -2.602029887e+00 3.36 -2.521582363e+00 -2.521582363e+00 3.38 -2.439728198e+00 -2.439728198e+00 3.40 -2.356556238e+00 -2.356556238e+00 3.42 -2.272266811e+00 -2.272266811e+00 3.44 -2.187167258e+00 -2.187167258e+00 3.46 -2.101659807e+00 -2.101659807e+00 3.48 -2.016220492e+00 -2.016220492e+00 3.50 -1.931371931e+00 -1.931371931e+00 3.52 -1.847652554e+00 -1.847652554e+00 3.54 -1.765585584e+00 -1.765585584e+00 3.56 -1.685651004e+00 -1.685651004e+00 3.58 -1.608263170e+00 -1.608263170e+00 3.60 -1.533755705e+00 -1.533755705e+00 3.62 -1.462374210e+00 -1.462374210e+00 3.64 -1.394276261e+00 -1.394276261e+00 3.66 -1.329537423e+00 -1.329537423e+00 3.68 -1.268161540e+00 -1.268161540e+00 3.70 -1.210093524e+00 -1.210093524e+00 3.72 -1.155233000e+00 -1.155233000e+00 3.74 -1.103447535e+00 -1.103447535e+00 3.76 -1.054584547e+00 -1.054584547e+00 3.78 -1.008481414e+00 -1.008481414e+00 3.80 -9.649735220e-01 -9.649735220e-01 3.82 -9.239002641e-01 -9.239002641e-01 3.84 -8.851090423e-01 -8.851090423e-01 3.86 -8.484574415e-01 -8.484574415e-01 3.88 -8.138137907e-01 -8.138137907e-01 3.90 -7.810564243e-01 -7.810564243e-01 3.92 -7.500716594e-01 -7.500716594e-01 3.94 -7.207533703e-01 -7.207533703e-01 3.96 -6.929984009e-01 -6.929984009e-01 3.98 -6.667067804e-01 -6.667067804e-01 4.00 -6.417802877e-01 -6.417802877e-01 4.02 -6.181221853e-01 -6.181221853e-01 4.04 -5.956375263e-01 -5.956375263e-01 4.06 -5.742338471e-01 -5.742338471e-01 4.08 -5.538220416e-01 -5.538220416e-01 4.10 -5.343158118e-01 -5.343158118e-01 4.12 -5.156381035e-01 -5.156381035e-01 4.14 -4.977125184e-01 -4.977125184e-01 4.16 -4.804691719e-01 -4.804691719e-01 4.18 -4.638449119e-01 -4.638449119e-01 4.20 -4.477826596e-01 -4.477826596e-01 4.22 -4.322305424e-01 -4.322305424e-01 4.24 -4.171420366e-01 -4.171420366e-01 4.26 -4.024760658e-01 -4.024760658e-01 4.28 -3.881971225e-01 -3.881971225e-01 4.30 -3.742754440e-01 -3.742754440e-01 4.32 -3.606872396e-01 -3.606872396e-01 4.34 -3.474149354e-01 -3.474149354e-01 4.36 -3.344473787e-01 -3.344473787e-01 4.38 -3.217799213e-01 -3.217799213e-01 4.40 -3.094142927e-01 -3.094142927e-01 4.42 -2.973581794e-01 -2.973581794e-01 4.44 -2.856244487e-01 -2.856244487e-01 4.46 -2.742299977e-01 -2.742299977e-01 4.48 -2.631942665e-01 -2.631942665e-01 4.50 -2.525375114e-01 -2.525375114e-01 4.52 -2.422789924e-01 -2.422789924e-01 4.54 -2.324352502e-01 -2.324352502e-01 4.56 -2.230186534e-01 -2.230186534e-01 4.58 -2.140363550e-01 -2.140363550e-01 4.60 -2.054897401e-01 -2.054897401e-01 4.62 -1.973743731e-01 -1.973743731e-01 4.64 -1.896803906e-01 -1.896803906e-01 4.66 -1.823932339e-01 -1.823932339e-01 4.68 -1.754945963e-01 -1.754945963e-01 4.70 -1.689634580e-01 -1.689634580e-01 4.72 -1.627771022e-01 -1.627771022e-01 4.74 -1.569120322e-01 -1.569120322e-01 4.76 -1.513447431e-01 -1.513447431e-01 4.78 -1.460523276e-01 -1.460523276e-01 4.80 -1.410121214e-01 -1.410121214e-01 4.82 -1.362053059e-01 -1.362053059e-01 4.84 -1.316118988e-01 -1.316118988e-01 4.86 -1.272144337e-01 -1.272144337e-01 4.88 -1.229970083e-01 -1.229970083e-01 4.90 -1.189452303e-01 -1.189452303e-01 4.92 -1.150461327e-01 -1.150461327e-01 4.94 -1.112880715e-01 -1.112880715e-01 4.96 -1.076606196e-01 -1.076606196e-01 4.98 -1.041544622e-01 -1.041544622e-01 5.00 -1.007613008e-01 -1.007613008e-01 5.02 -9.747376799e-02 -9.747376799e-02 5.04 -9.428535434e-02 -9.428535434e-02 5.06 -9.119034778e-02 -9.119034778e-02 5.08 -8.818378304e-02 -8.818378304e-02 5.10 -8.526140001e-02 -8.526140001e-02 5.12 -8.241960727e-02 -8.241960727e-02 5.14 -7.965544739e-02 -7.965544739e-02 5.16 -7.696655998e-02 -7.696655998e-02 5.18 -7.435113871e-02 -7.435113871e-02 5.20 -7.180787891e-02 -7.180787891e-02 5.22 -6.933591324e-02 -6.933591324e-02 5.24 -6.693473431e-02 -6.693473431e-02 5.26 -6.460409084e-02 -6.460409084e-02 5.28 -6.234383342e-02 -6.234383342e-02 5.30 -6.015398069e-02 -6.015398069e-02 5.32 -5.803452528e-02 -5.803452528e-02 5.34 -5.598531234e-02 -5.598531234e-02 5.36 -5.400595178e-02 -5.400595178e-02 5.38 -5.209575006e-02 -5.209575006e-02 5.40 -5.025366240e-02 -5.025366240e-02 5.42 -4.847826918e-02 -4.847826918e-02 5.44 -4.676777544e-02 -4.676777544e-02 5.46 -4.512003115e-02 -4.512003115e-02 5.48 -4.353256819e-02 -4.353256819e-02 5.50 -4.200264940e-02 -4.200264940e-02 5.52 -4.052732478e-02 -4.052732478e-02 5.54 -3.910349027e-02 -3.910349027e-02 5.56 -3.772794538e-02 -3.772794538e-02 5.58 -3.639744689e-02 -3.639744689e-02 5.60 -3.510875691e-02 -3.510875691e-02 5.62 -3.385868451e-02 -3.385868451e-02 5.64 -3.264411952e-02 -3.264411952e-02 5.66 -3.146206225e-02 -3.146206225e-02 5.68 -3.030964744e-02 -3.030964744e-02 5.70 -2.918416431e-02 -2.918416431e-02 5.72 -2.808307399e-02 -2.808307399e-02 5.74 -2.700402549e-02 -2.700402549e-02 5.76 -2.594487121e-02 -2.594487121e-02 5.78 -2.490368267e-02 -2.490368267e-02 5.80 -2.387876712e-02 -2.387876712e-02 5.82 -2.286868492e-02 -2.286868492e-02 5.84 -2.187226776e-02 -2.187226776e-02 5.86 -2.088863689e-02 -2.088863689e-02 5.88 -1.991722056e-02 -1.991722056e-02 5.90 -1.895776939e-02 -1.895776939e-02 5.92 -1.801036795e-02 -1.801036795e-02 5.94 -1.707542461e-02 -1.707542461e-02 5.96 -1.615361167e-02 -1.615361167e-02 5.98 -1.524602893e-02 -1.524602893e-02 6.00 -1.435410099e-02 -1.435410099e-02