# 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 = MgMo2Zr # 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 3.987633373e+02 3.987633373e+02 1.30 3.699104147e+02 3.699104147e+02 1.32 3.432044153e+02 3.432044153e+02 1.34 3.184657101e+02 3.184657101e+02 1.36 2.955286524e+02 2.955286524e+02 1.38 2.742422160e+02 2.742422160e+02 1.40 2.544705366e+02 2.544705366e+02 1.42 2.360922379e+02 2.360922379e+02 1.44 2.189989081e+02 2.189989081e+02 1.46 2.030935146e+02 2.030935146e+02 1.48 1.882890665e+02 1.882890665e+02 1.50 1.745073409e+02 1.745073409e+02 1.52 1.616776833e+02 1.616776833e+02 1.54 1.497359384e+02 1.497359384e+02 1.56 1.386236571e+02 1.386236571e+02 1.58 1.282873851e+02 1.282873851e+02 1.60 1.186777458e+02 1.186777458e+02 1.62 1.097482880e+02 1.097482880e+02 1.64 1.014544664e+02 1.014544664e+02 1.66 9.375306107e+01 9.375306107e+01 1.68 8.660212628e+01 8.660212628e+01 1.70 7.996137634e+01 7.996137634e+01 1.72 7.379260479e+01 7.379260479e+01 1.74 6.805998835e+01 6.805998835e+01 1.76 6.273019457e+01 6.273019457e+01 1.78 5.777237991e+01 5.777237991e+01 1.80 5.315811168e+01 5.315811168e+01 1.82 4.886130298e+01 4.886130298e+01 1.84 4.485818426e+01 4.485818426e+01 1.86 4.112779131e+01 4.112779131e+01 1.88 3.765360883e+01 3.765360883e+01 1.90 3.442048881e+01 3.442048881e+01 1.92 3.141255024e+01 3.141255024e+01 1.94 2.861552006e+01 2.861552006e+01 1.96 2.601619459e+01 2.601619459e+01 1.98 2.360213042e+01 2.360213042e+01 2.00 2.136147819e+01 2.136147819e+01 2.02 1.928288068e+01 1.928288068e+01 2.04 1.735540520e+01 1.735540520e+01 2.06 1.556849699e+01 1.556849699e+01 2.08 1.391195436e+01 1.391195436e+01 2.10 1.237596178e+01 1.237596178e+01 2.12 1.095117095e+01 1.095117095e+01 2.14 9.628820345e+00 9.628820345e+00 2.16 8.400863612e+00 8.400863612e+00 2.18 7.260043607e+00 7.260043607e+00 2.20 6.199900650e+00 6.199900650e+00 2.22 5.214699651e+00 5.214699651e+00 2.24 4.299328616e+00 4.299328616e+00 2.26 3.449198081e+00 3.449198081e+00 2.28 2.660143068e+00 2.660143068e+00 2.30 1.928377681e+00 1.928377681e+00 2.32 1.250407811e+00 1.250407811e+00 2.34 6.230021190e-01 6.230021190e-01 2.36 4.312637248e-02 4.312637248e-02 2.38 -4.920937207e-01 -4.920937207e-01 2.40 -9.854035807e-01 -9.854035807e-01 2.42 -1.439443847e+00 -1.439443847e+00 2.44 -1.856754572e+00 -1.856754572e+00 2.46 -2.239774855e+00 -2.239774855e+00 2.48 -2.590825673e+00 -2.590825673e+00 2.50 -2.912086472e+00 -2.912086472e+00 2.52 -3.205571867e+00 -3.205571867e+00 2.54 -3.473115110e+00 -3.473115110e+00 2.56 -3.716362314e+00 -3.716362314e+00 2.58 -3.936779163e+00 -3.936779163e+00 2.60 -4.135669838e+00 -4.135669838e+00 2.62 -4.314202898e+00 -4.314202898e+00 2.64 -4.473458222e+00 -4.473458222e+00 2.66 -4.614491372e+00 -4.614491372e+00 2.68 -4.738229329e+00 -4.738229329e+00 2.70 -4.845520393e+00 -4.845520393e+00 2.72 -4.937014854e+00 -4.937014854e+00 2.74 -5.013749271e+00 -5.013749271e+00 2.76 -5.076828347e+00 -5.076828347e+00 2.78 -5.127322768e+00 -5.127322768e+00 2.80 -5.166272799e+00 -5.166272799e+00 2.82 -5.194647387e+00 -5.194647387e+00 2.84 -5.213270127e+00 -5.213270127e+00 2.86 -5.222919598e+00 -5.222919598e+00 2.88 -5.224101027e+00 -5.224101027e+00 2.90 -5.216989498e+00 -5.216989498e+00 2.92 -5.201807689e+00 -5.201807689e+00 2.94 -5.178849890e+00 -5.178849890e+00 2.96 -5.148474583e+00 -5.148474583e+00 2.98 -5.111093679e+00 -5.111093679e+00 3.00 -5.067157934e+00 -5.067157934e+00 3.02 -5.017139157e+00 -5.017139157e+00 3.04 -4.961508818e+00 -4.961508818e+00 3.06 -4.900728351e+00 -4.900728351e+00 3.08 -4.835219384e+00 -4.835219384e+00 3.10 -4.765363227e+00 -4.765363227e+00 3.12 -4.691489814e+00 -4.691489814e+00 3.14 -4.613891231e+00 -4.613891231e+00 3.16 -4.532805780e+00 -4.532805780e+00 3.18 -4.448441704e+00 -4.448441704e+00 3.20 -4.360984618e+00 -4.360984618e+00 3.22 -4.270610906e+00 -4.270610906e+00 3.24 -4.177502152e+00 -4.177502152e+00 3.26 -4.081859333e+00 -4.081859333e+00 3.28 -3.983915072e+00 -3.983915072e+00 3.30 -3.883942120e+00 -3.883942120e+00 3.32 -3.782256798e+00 -3.782256798e+00 3.34 -3.679217319e+00 -3.679217319e+00 3.36 -3.575218143e+00 -3.575218143e+00 3.38 -3.470682212e+00 -3.470682212e+00 3.40 -3.366051635e+00 -3.366051635e+00 3.42 -3.261784066e+00 -3.261784066e+00 3.44 -3.158337331e+00 -3.158337331e+00 3.46 -3.056178408e+00 -3.056178408e+00 3.48 -2.955766354e+00 -2.955766354e+00 3.50 -2.857434538e+00 -2.857434538e+00 3.52 -2.761492903e+00 -2.761492903e+00 3.54 -2.668225088e+00 -2.668225088e+00 3.56 -2.577849060e+00 -2.577849060e+00 3.58 -2.490418147e+00 -2.490418147e+00 3.60 -2.405950045e+00 -2.405950045e+00 3.62 -2.324464566e+00 -2.324464566e+00 3.64 -2.245968706e+00 -2.245968706e+00 3.66 -2.170447366e+00 -2.170447366e+00 3.68 -2.097859296e+00 -2.097859296e+00 3.70 -2.028137393e+00 -2.028137393e+00 3.72 -1.961192204e+00 -1.961192204e+00 3.74 -1.896917510e+00 -1.896917510e+00 3.76 -1.835196896e+00 -1.835196896e+00 3.78 -1.775910426e+00 -1.775910426e+00 3.80 -1.718940634e+00 -1.718940634e+00 3.82 -1.664177234e+00 -1.664177234e+00 3.84 -1.611520093e+00 -1.611520093e+00 3.86 -1.560880252e+00 -1.560880252e+00 3.88 -1.512179021e+00 -1.512179021e+00 3.90 -1.465345517e+00 -1.465345517e+00 3.92 -1.420311795e+00 -1.420311795e+00 3.94 -1.377015643e+00 -1.377015643e+00 3.96 -1.335387783e+00 -1.335387783e+00 3.98 -1.295357148e+00 -1.295357148e+00 4.00 -1.256848626e+00 -1.256848626e+00 4.02 -1.219783852e+00 -1.219783852e+00 4.04 -1.184082798e+00 -1.184082798e+00 4.06 -1.149665729e+00 -1.149665729e+00 4.08 -1.116455120e+00 -1.116455120e+00 4.10 -1.084371626e+00 -1.084371626e+00 4.12 -1.053358848e+00 -1.053358848e+00 4.14 -1.023346749e+00 -1.023346749e+00 4.16 -9.942781703e-01 -9.942781703e-01 4.18 -9.661017694e-01 -9.661017694e-01 4.20 -9.387717043e-01 -9.387717043e-01 4.22 -9.122471714e-01 -9.122471714e-01 4.24 -8.864918634e-01 -8.864918634e-01 4.26 -8.614734051e-01 -8.614734051e-01 4.28 -8.371628043e-01 -8.371628043e-01 4.30 -8.135339417e-01 -8.135339417e-01 4.32 -7.905631132e-01 -7.905631132e-01 4.34 -7.682286318e-01 -7.682286318e-01 4.36 -7.465104876e-01 -7.465104876e-01 4.38 -7.253900638e-01 -7.253900638e-01 4.40 -7.048499022e-01 -7.048499022e-01 4.42 -6.848735134e-01 -6.848735134e-01 4.44 -6.654452232e-01 -6.654452232e-01 4.46 -6.465500506e-01 -6.465500506e-01 4.48 -6.281736102e-01 -6.281736102e-01 4.50 -6.103020359e-01 -6.103020359e-01 4.52 -5.929219193e-01 -5.929219193e-01 4.54 -5.760202613e-01 -5.760202613e-01 4.56 -5.595844336e-01 -5.595844336e-01 4.58 -5.436021470e-01 -5.436021470e-01 4.60 -5.280614261e-01 -5.280614261e-01 4.62 -5.129505875e-01 -5.129505875e-01 4.64 -4.982582219e-01 -4.982582219e-01 4.66 -4.839731781e-01 -4.839731781e-01 4.68 -4.700845492e-01 -4.700845492e-01 4.70 -4.565816592e-01 -4.565816592e-01 4.72 -4.434540516e-01 -4.434540516e-01 4.74 -4.306914776e-01 -4.306914776e-01 4.76 -4.182838848e-01 -4.182838848e-01 4.78 -4.062214065e-01 -4.062214065e-01 4.80 -3.944909911e-01 -3.944909911e-01 4.82 -3.830904020e-01 -3.830904020e-01 4.84 -3.720062240e-01 -3.720062240e-01 4.86 -3.612292147e-01 -3.612292147e-01 4.88 -3.507502863e-01 -3.507502863e-01 4.90 -3.405604686e-01 -3.405604686e-01 4.92 -3.306508941e-01 -3.306508941e-01 4.94 -3.210127872e-01 -3.210127872e-01 4.96 -3.116374538e-01 -3.116374538e-01 4.98 -3.025162713e-01 -3.025162713e-01 5.00 -2.936406806e-01 -2.936406806e-01 5.02 -2.850021790e-01 -2.850021790e-01 5.04 -2.765923167e-01 -2.765923167e-01 5.06 -2.684026964e-01 -2.684026964e-01 5.08 -2.604249779e-01 -2.604249779e-01 5.10 -2.526508897e-01 -2.526508897e-01 5.12 -2.450722471e-01 -2.450722471e-01 5.14 -2.376809819e-01 -2.376809819e-01 5.16 -2.304691823e-01 -2.304691823e-01 5.18 -2.234291469e-01 -2.234291469e-01 5.20 -2.165534541e-01 -2.165534541e-01 5.22 -2.098350475e-01 -2.098350475e-01 5.24 -2.032673374e-01 -2.032673374e-01 5.26 -1.968443179e-01 -1.968443179e-01 5.28 -1.905606954e-01 -1.905606954e-01 5.30 -1.844120230e-01 -1.844120230e-01 5.32 -1.783948337e-01 -1.783948337e-01 5.34 -1.725067584e-01 -1.725067584e-01 5.36 -1.667466176e-01 -1.667466176e-01 5.38 -1.611144692e-01 -1.611144692e-01 5.40 -1.556115986e-01 -1.556115986e-01 5.42 -1.502404370e-01 -1.502404370e-01 5.44 -1.450044020e-01 -1.450044020e-01 5.46 -1.399076609e-01 -1.399076609e-01 5.48 -1.349548160e-01 -1.349548160e-01 5.50 -1.301505443e-01 -1.301505443e-01 5.52 -1.254992190e-01 -1.254992190e-01 5.54 -1.210045349e-01 -1.210045349e-01 5.56 -1.166691762e-01 -1.166691762e-01 5.58 -1.124945545e-01 -1.124945545e-01 5.60 -1.084801855e-01 -1.084801855e-01 5.62 -1.046242977e-01 -1.046242977e-01 5.64 -1.009242833e-01 -1.009242833e-01 5.66 -9.737599790e-02 -9.737599790e-02 5.68 -9.397396127e-02 -9.397396127e-02 5.70 -9.071160154e-02 -9.071160154e-02 5.72 -8.758151410e-02 -8.758151410e-02 5.74 -8.457571426e-02 -8.457571426e-02 5.76 -8.168586789e-02 -8.168586789e-02 5.78 -7.890349035e-02 -7.890349035e-02 5.80 -7.622010948e-02 -7.622010948e-02 5.82 -7.362739235e-02 -7.362739235e-02 5.84 -7.111723913e-02 -7.111723913e-02 5.86 -6.868184877e-02 -6.868184877e-02 5.88 -6.631376251e-02 -6.631376251e-02 5.90 -6.400589131e-02 -6.400589131e-02 5.92 -6.175153318e-02 -6.175153318e-02 5.94 -5.954438555e-02 -5.954438555e-02 5.96 -5.737855753e-02 -5.737855753e-02 5.98 -5.524858568e-02 -5.524858568e-02 6.00 -5.314945643e-02 -5.314945643e-02