# 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 = AuPt2W # 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 4.764992974e+02 4.764992974e+02 1.30 4.447388525e+02 4.447388525e+02 1.32 4.150679391e+02 4.150679391e+02 1.34 3.873403562e+02 3.873403562e+02 1.36 3.614354838e+02 3.614354838e+02 1.38 3.372486905e+02 3.372486905e+02 1.40 3.146830483e+02 3.146830483e+02 1.42 2.936436813e+02 2.936436813e+02 1.44 2.740328976e+02 2.740328976e+02 1.46 2.557479720e+02 2.557479720e+02 1.48 2.386841577e+02 2.386841577e+02 1.50 2.227400896e+02 2.227400896e+02 1.52 2.078210205e+02 2.078210205e+02 1.54 1.938392932e+02 1.938392932e+02 1.56 1.807141519e+02 1.807141519e+02 1.58 1.683720062e+02 1.683720062e+02 1.60 1.567467554e+02 1.567467554e+02 1.62 1.457797035e+02 1.457797035e+02 1.64 1.354191632e+02 1.354191632e+02 1.66 1.256201193e+02 1.256201193e+02 1.68 1.163441923e+02 1.163441923e+02 1.70 1.075597293e+02 1.075597293e+02 1.72 9.924143858e+01 9.924143858e+01 1.74 9.136901923e+01 9.136901923e+01 1.76 8.392499866e+01 8.392499866e+01 1.78 7.689280565e+01 7.689280565e+01 1.80 7.025593954e+01 7.025593954e+01 1.82 6.399837737e+01 6.399837737e+01 1.84 5.810498816e+01 5.810498816e+01 1.86 5.256753345e+01 5.256753345e+01 1.88 4.738915056e+01 4.738915056e+01 1.90 4.265009367e+01 4.265009367e+01 1.92 3.833663428e+01 3.833663428e+01 1.94 3.441076080e+01 3.441076080e+01 1.96 3.083541576e+01 3.083541576e+01 1.98 2.757561437e+01 2.757561437e+01 2.00 2.459941698e+01 2.459941698e+01 2.02 2.187839981e+01 2.187839981e+01 2.04 1.938762819e+01 1.938762819e+01 2.06 1.710532835e+01 1.710532835e+01 2.08 1.501244380e+01 1.501244380e+01 2.10 1.309217965e+01 1.309217965e+01 2.12 1.132958539e+01 1.132958539e+01 2.14 9.711214704e+00 9.711214704e+00 2.16 8.224892615e+00 8.224892615e+00 2.18 6.859589975e+00 6.859589975e+00 2.20 5.605367910e+00 5.605367910e+00 2.22 4.453339575e+00 4.453339575e+00 2.24 3.395611173e+00 3.395611173e+00 2.26 2.425191432e+00 2.425191432e+00 2.28 1.535878511e+00 1.535878511e+00 2.30 7.221394161e-01 7.221394161e-01 2.32 -2.100588122e-02 -2.100588122e-02 2.34 -6.980892698e-01 -6.980892698e-01 2.36 -1.313286653e+00 -1.313286653e+00 2.38 -1.870498458e+00 -1.870498458e+00 2.40 -2.373419954e+00 -2.373419954e+00 2.42 -2.825601260e+00 -2.825601260e+00 2.44 -3.230494499e+00 -3.230494499e+00 2.46 -3.591472183e+00 -3.591472183e+00 2.48 -3.911786922e+00 -3.911786922e+00 2.50 -4.194767952e+00 -4.194767952e+00 2.52 -4.443685643e+00 -4.443685643e+00 2.54 -4.661686453e+00 -4.661686453e+00 2.56 -4.851747799e+00 -4.851747799e+00 2.58 -5.016627586e+00 -5.016627586e+00 2.60 -5.158819235e+00 -5.158819235e+00 2.62 -5.280516408e+00 -5.280516408e+00 2.64 -5.383471966e+00 -5.383471966e+00 2.66 -5.469314176e+00 -5.469314176e+00 2.68 -5.541429377e+00 -5.541429377e+00 2.70 -5.600848938e+00 -5.600848938e+00 2.72 -5.647909182e+00 -5.647909182e+00 2.74 -5.682954592e+00 -5.682954592e+00 2.76 -5.706338489e+00 -5.706338489e+00 2.78 -5.718422215e+00 -5.718422215e+00 2.80 -5.719573841e+00 -5.719573841e+00 2.82 -5.710168176e+00 -5.710168176e+00 2.84 -5.690590057e+00 -5.690590057e+00 2.86 -5.661242419e+00 -5.661242419e+00 2.88 -5.622560788e+00 -5.622560788e+00 2.90 -5.575111880e+00 -5.575111880e+00 2.92 -5.519406648e+00 -5.519406648e+00 2.94 -5.455966452e+00 -5.455966452e+00 2.96 -5.385416765e+00 -5.385416765e+00 2.98 -5.308475984e+00 -5.308475984e+00 3.00 -5.225928089e+00 -5.225928089e+00 3.02 -5.138582139e+00 -5.138582139e+00 3.04 -5.047219035e+00 -5.047219035e+00 3.06 -4.952548476e+00 -4.952548476e+00 3.08 -4.855188801e+00 -4.855188801e+00 3.10 -4.755650052e+00 -4.755650052e+00 3.12 -4.654330205e+00 -4.654330205e+00 3.14 -4.551522736e+00 -4.551522736e+00 3.16 -4.447431547e+00 -4.447431547e+00 3.18 -4.342189720e+00 -4.342189720e+00 3.20 -4.235879274e+00 -4.235879274e+00 3.22 -4.128550247e+00 -4.128550247e+00 3.24 -4.020238203e+00 -4.020238203e+00 3.26 -3.910979835e+00 -3.910979835e+00 3.28 -3.800826595e+00 -3.800826595e+00 3.30 -3.689856322e+00 -3.689856322e+00 3.32 -3.578182770e+00 -3.578182770e+00 3.34 -3.465962750e+00 -3.465962750e+00 3.36 -3.353400518e+00 -3.353400518e+00 3.38 -3.240748961e+00 -3.240748961e+00 3.40 -3.128307225e+00 -3.128307225e+00 3.42 -3.016459215e+00 -3.016459215e+00 3.44 -2.905910676e+00 -2.905910676e+00 3.46 -2.797436168e+00 -2.797436168e+00 3.48 -2.691713490e+00 -2.691713490e+00 3.50 -2.589309144e+00 -2.589309144e+00 3.52 -2.490668861e+00 -2.490668861e+00 3.54 -2.396114084e+00 -2.396114084e+00 3.56 -2.305844850e+00 -2.305844850e+00 3.58 -2.219948588e+00 -2.219948588e+00 3.60 -2.138413598e+00 -2.138413598e+00 3.62 -2.061145567e+00 -2.061145567e+00 3.64 -1.987985390e+00 -1.987985390e+00 3.66 -1.918726729e+00 -1.918726729e+00 3.68 -1.853132132e+00 -1.853132132e+00 3.70 -1.790946956e+00 -1.790946956e+00 3.72 -1.731910719e+00 -1.731910719e+00 3.74 -1.675765877e+00 -1.675765877e+00 3.76 -1.622264212e+00 -1.622264212e+00 3.78 -1.571171181e+00 -1.571171181e+00 3.80 -1.522268580e+00 -1.522268580e+00 3.82 -1.475355922e+00 -1.475355922e+00 3.84 -1.430250857e+00 -1.430250857e+00 3.86 -1.386788918e+00 -1.386788918e+00 3.88 -1.344822828e+00 -1.344822828e+00 3.90 -1.304221554e+00 -1.304221554e+00 3.92 -1.264869248e+00 -1.264869248e+00 3.94 -1.226664199e+00 -1.226664199e+00 3.96 -1.189517850e+00 -1.189517850e+00 3.98 -1.153353976e+00 -1.153353976e+00 4.00 -1.118108016e+00 -1.118108016e+00 4.02 -1.083726571e+00 -1.083726571e+00 4.04 -1.050167019e+00 -1.050167019e+00 4.06 -1.017397185e+00 -1.017397185e+00 4.08 -9.853949420e-01 -9.853949420e-01 4.10 -9.541476303e-01 -9.541476303e-01 4.12 -9.236512082e-01 -9.236512082e-01 4.14 -8.939089287e-01 -8.939089287e-01 4.16 -8.649296640e-01 -8.649296640e-01 4.18 -8.367257983e-01 -8.367257983e-01 4.20 -8.093108661e-01 -8.093108661e-01 4.22 -7.826971209e-01 -7.826971209e-01 4.24 -7.568932605e-01 -7.568932605e-01 4.26 -7.319025165e-01 -7.319025165e-01 4.28 -7.077212544e-01 -7.077212544e-01 4.30 -6.843381416e-01 -6.843381416e-01 4.32 -6.617338547e-01 -6.617338547e-01 4.34 -6.398812335e-01 -6.398812335e-01 4.36 -6.187457601e-01 -6.187457601e-01 4.38 -5.982862509e-01 -5.982862509e-01 4.40 -5.784556709e-01 -5.784556709e-01 4.42 -5.592020164e-01 -5.592020164e-01 4.44 -5.404692365e-01 -5.404692365e-01 4.46 -5.221981833e-01 -5.221981833e-01 4.48 -5.043275866e-01 -5.043275866e-01 4.50 -4.867950570e-01 -4.867950570e-01 4.52 -4.695381224e-01 -4.695381224e-01 4.54 -4.524953101e-01 -4.524953101e-01 4.56 -4.356072913e-01 -4.356072913e-01 4.58 -4.188181108e-01 -4.188181108e-01 4.60 -4.020765236e-01 -4.020765236e-01 4.62 -3.853374543e-01 -3.853374543e-01 4.64 -3.685635778e-01 -3.685635778e-01 4.66 -3.517269974e-01 -3.517269974e-01 4.68 -3.348109596e-01 -3.348109596e-01 4.70 -3.178115086e-01 -3.178115086e-01 4.72 -3.007389416e-01 -3.007389416e-01 4.74 -2.836188916e-01 -2.836188916e-01 4.76 -2.664928473e-01 -2.664928473e-01 4.78 -2.494179215e-01 -2.494179215e-01 4.80 -2.324657163e-01 -2.324657163e-01 4.82 -2.157202118e-01 -2.157202118e-01 4.84 -1.992746786e-01 -1.992746786e-01 4.86 -1.832277794e-01 -1.832277794e-01 4.88 -1.676790963e-01 -1.676790963e-01 4.90 -1.527244425e-01 -1.527244425e-01 4.92 -1.384513534e-01 -1.384513534e-01 4.94 -1.249351502e-01 -1.249351502e-01 4.96 -1.122358903e-01 -1.122358903e-01 4.98 -1.003964321e-01 -1.003964321e-01 5.00 -8.944167327e-02 -8.944167327e-02 5.02 -7.937889916e-02 -7.937889916e-02 5.04 -7.019909050e-02 -7.019909050e-02 5.06 -6.187894763e-02 -6.187894763e-02 5.08 -5.438336572e-02 -5.438336572e-02 5.10 -4.766866672e-02 -4.766866672e-02 5.12 -4.168459305e-02 -4.168459305e-02 5.14 -3.637575578e-02 -3.637575578e-02 5.16 -3.168510399e-02 -3.168510399e-02 5.18 -2.755569371e-02 -2.755569371e-02 5.20 -2.393206373e-02 -2.393206373e-02 5.22 -2.076126211e-02 -2.076126211e-02 5.24 -1.799355462e-02 -1.799355462e-02 5.26 -1.558275148e-02 -1.558275148e-02 5.28 -1.348628996e-02 -1.348628996e-02 5.30 -1.166621663e-02 -1.166621663e-02 5.32 -1.008832321e-02 -1.008832321e-02 5.34 -8.721956658e-03 -8.721956658e-03 5.36 -7.539848836e-03 -7.539848836e-03 5.38 -6.517888131e-03 -6.517888131e-03 5.40 -5.634860215e-03 -5.634860215e-03 5.42 -4.872177269e-03 -4.872177269e-03 5.44 -4.213609047e-03 -4.213609047e-03 5.46 -3.645024590e-03 -3.645024590e-03 5.48 -3.154150057e-03 -3.154150057e-03 5.50 -2.730345689e-03 -2.730345689e-03 5.52 -2.364403188e-03 -2.364403188e-03 5.54 -2.048363625e-03 -2.048363625e-03 5.56 -1.775355207e-03 -1.775355207e-03 5.58 -1.539449722e-03 -1.539449722e-03 5.60 -1.335536259e-03 -1.335536259e-03 5.62 -1.159210617e-03 -1.159210617e-03 5.64 -1.006678842e-03 -1.006678842e-03 5.66 -8.746733431e-04 -8.746733431e-04 5.68 -7.603801450e-04 -7.603801450e-04 5.70 -6.613759245e-04 -6.613759245e-04 5.72 -5.755736210e-04 -5.755736210e-04 5.74 -5.011755137e-04 -5.011755137e-04 5.76 -4.366327890e-04 -4.366327890e-04 5.78 -3.806107323e-04 -3.806107323e-04 5.80 -3.319587830e-04 -3.319587830e-04 5.82 -2.896847865e-04 -2.896847865e-04 5.84 -2.529328639e-04 -2.529328639e-04 5.86 -2.209643957e-04 -2.209643957e-04 5.88 -1.931416832e-04 -1.931416832e-04 5.90 -1.689139123e-04 -1.689139123e-04 5.92 -1.478050933e-04 -1.478050933e-04 5.94 -1.294036983e-04 -1.294036983e-04 5.96 -1.133537558e-04 -1.133537558e-04 5.98 -9.934719517e-05 -9.934719517e-05 6.00 -8.711726431e-05 -8.711726431e-05