# 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 = AuMgPb2 # 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 4.269751807e+02 4.269751807e+02 1.30 3.980487849e+02 3.980487849e+02 1.32 3.711755995e+02 3.711755995e+02 1.34 3.461927181e+02 3.461927181e+02 1.36 3.229519282e+02 3.229519282e+02 1.38 3.013184730e+02 3.013184730e+02 1.40 2.811696373e+02 2.811696373e+02 1.42 2.623934142e+02 2.623934142e+02 1.44 2.448873699e+02 2.448873699e+02 1.46 2.285577311e+02 2.285577311e+02 1.48 2.133186093e+02 2.133186093e+02 1.50 1.990912402e+02 1.990912402e+02 1.52 1.858031654e+02 1.858031654e+02 1.54 1.733875131e+02 1.733875131e+02 1.56 1.617824073e+02 1.617824073e+02 1.58 1.509305444e+02 1.509305444e+02 1.60 1.407789094e+02 1.407789094e+02 1.62 1.312786145e+02 1.312786145e+02 1.64 1.223847178e+02 1.223847178e+02 1.66 1.140559653e+02 1.140559653e+02 1.68 1.062544111e+02 1.062544111e+02 1.70 9.895068912e+01 9.895068912e+01 1.72 9.212162716e+01 9.212162716e+01 1.74 8.574675420e+01 8.574675420e+01 1.76 7.979662876e+01 7.979662876e+01 1.78 7.424225940e+01 7.424225940e+01 1.80 6.905669330e+01 6.905669330e+01 1.82 6.421481958e+01 6.421481958e+01 1.84 5.969323471e+01 5.969323471e+01 1.86 5.547014425e+01 5.547014425e+01 1.88 5.152528401e+01 5.152528401e+01 1.90 4.783981627e+01 4.783981627e+01 1.92 4.439621625e+01 4.439621625e+01 1.94 4.117819963e+01 4.117819963e+01 1.96 3.817067535e+01 3.817067535e+01 1.98 3.535970305e+01 3.535970305e+01 2.00 3.273241609e+01 3.273241609e+01 2.02 3.027690830e+01 3.027690830e+01 2.04 2.798210914e+01 2.798210914e+01 2.06 2.583768345e+01 2.583768345e+01 2.08 2.383397347e+01 2.383397347e+01 2.10 2.196196264e+01 2.196196264e+01 2.12 2.021325343e+01 2.021325343e+01 2.14 1.858003059e+01 1.858003059e+01 2.16 1.705501292e+01 1.705501292e+01 2.18 1.563139922e+01 1.563139922e+01 2.20 1.430281418e+01 1.430281418e+01 2.22 1.306326803e+01 1.306326803e+01 2.24 1.190712824e+01 1.190712824e+01 2.26 1.082910238e+01 1.082910238e+01 2.28 9.824228438e+00 9.824228438e+00 2.30 8.887859460e+00 8.887859460e+00 2.32 8.015645410e+00 8.015645410e+00 2.34 7.203515104e+00 7.203515104e+00 2.36 6.447647403e+00 6.447647403e+00 2.38 5.744447255e+00 5.744447255e+00 2.40 5.090524240e+00 5.090524240e+00 2.42 4.482677361e+00 4.482677361e+00 2.44 3.917887034e+00 3.917887034e+00 2.46 3.393313561e+00 3.393313561e+00 2.48 2.906298811e+00 2.906298811e+00 2.50 2.454367532e+00 2.454367532e+00 2.52 2.035225179e+00 2.035225179e+00 2.54 1.646750643e+00 1.646750643e+00 2.56 1.286983821e+00 1.286983821e+00 2.58 9.541092844e-01 9.541092844e-01 2.60 6.464381822e-01 6.464381822e-01 2.62 3.623916742e-01 3.623916742e-01 2.64 1.004829126e-01 1.004829126e-01 2.66 -1.406879661e-01 -1.406879661e-01 2.68 -3.624446306e-01 -3.624446306e-01 2.70 -5.660374209e-01 -5.660374209e-01 2.72 -7.526573177e-01 -7.526573177e-01 2.74 -9.234748884e-01 -9.234748884e-01 2.76 -1.079486576e+00 -1.079486576e+00 2.78 -1.221616464e+00 -1.221616464e+00 2.80 -1.350739942e+00 -1.350739942e+00 2.82 -1.467681570e+00 -1.467681570e+00 2.84 -1.573218093e+00 -1.573218093e+00 2.86 -1.668079652e+00 -1.668079652e+00 2.88 -1.752952054e+00 -1.752952054e+00 2.90 -1.828479135e+00 -1.828479135e+00 2.92 -1.895261867e+00 -1.895261867e+00 2.94 -1.953865145e+00 -1.953865145e+00 2.96 -2.004824921e+00 -2.004824921e+00 2.98 -2.048652436e+00 -2.048652436e+00 3.00 -2.085838230e+00 -2.085838230e+00 3.02 -2.116855471e+00 -2.116855471e+00 3.04 -2.142161409e+00 -2.142161409e+00 3.06 -2.162201278e+00 -2.162201278e+00 3.08 -2.177402661e+00 -2.177402661e+00 3.10 -2.188177367e+00 -2.188177367e+00 3.12 -2.194917319e+00 -2.194917319e+00 3.14 -2.197997334e+00 -2.197997334e+00 3.16 -2.197766200e+00 -2.197766200e+00 3.18 -2.194561543e+00 -2.194561543e+00 3.20 -2.188748286e+00 -2.188748286e+00 3.22 -2.180553923e+00 -2.180553923e+00 3.24 -2.170171392e+00 -2.170171392e+00 3.26 -2.157781728e+00 -2.157781728e+00 3.28 -2.143552220e+00 -2.143552220e+00 3.30 -2.127635961e+00 -2.127635961e+00 3.32 -2.110172553e+00 -2.110172553e+00 3.34 -2.091289432e+00 -2.091289432e+00 3.36 -2.071099626e+00 -2.071099626e+00 3.38 -2.049706152e+00 -2.049706152e+00 3.40 -2.027185583e+00 -2.027185583e+00 3.42 -2.003606525e+00 -2.003606525e+00 3.44 -1.979038104e+00 -1.979038104e+00 3.46 -1.953550904e+00 -1.953550904e+00 3.48 -1.927216003e+00 -1.927216003e+00 3.50 -1.900104384e+00 -1.900104384e+00 3.52 -1.872286406e+00 -1.872286406e+00 3.54 -1.843831377e+00 -1.843831377e+00 3.56 -1.814803360e+00 -1.814803360e+00 3.58 -1.785249258e+00 -1.785249258e+00 3.60 -1.755214113e+00 -1.755214113e+00 3.62 -1.724746530e+00 -1.724746530e+00 3.64 -1.693898484e+00 -1.693898484e+00 3.66 -1.662725291e+00 -1.662725291e+00 3.68 -1.631285504e+00 -1.631285504e+00 3.70 -1.599640577e+00 -1.599640577e+00 3.72 -1.567854195e+00 -1.567854195e+00 3.74 -1.535991209e+00 -1.535991209e+00 3.76 -1.504116234e+00 -1.504116234e+00 3.78 -1.472292047e+00 -1.472292047e+00 3.80 -1.440577978e+00 -1.440577978e+00 3.82 -1.409028539e+00 -1.409028539e+00 3.84 -1.377692432e+00 -1.377692432e+00 3.86 -1.346612032e+00 -1.346612032e+00 3.88 -1.315823334e+00 -1.315823334e+00 3.90 -1.285356274e+00 -1.285356274e+00 3.92 -1.255234477e+00 -1.255234477e+00 3.94 -1.225479373e+00 -1.225479373e+00 3.96 -1.196105525e+00 -1.196105525e+00 3.98 -1.167125092e+00 -1.167125092e+00 4.00 -1.138547435e+00 -1.138547435e+00 4.02 -1.110379628e+00 -1.110379628e+00 4.04 -1.082626903e+00 -1.082626903e+00 4.06 -1.055293021e+00 -1.055293021e+00 4.08 -1.028380599e+00 -1.028380599e+00 4.10 -1.001889226e+00 -1.001889226e+00 4.12 -9.758248930e-01 -9.758248930e-01 4.14 -9.501859299e-01 -9.501859299e-01 4.16 -9.249733933e-01 -9.249733933e-01 4.18 -9.001887102e-01 -9.001887102e-01 4.20 -8.758339736e-01 -8.758339736e-01 4.22 -8.519121901e-01 -8.519121901e-01 4.24 -8.284274475e-01 -8.284274475e-01 4.26 -8.053849657e-01 -8.053849657e-01 4.28 -7.827910002e-01 -7.827910002e-01 4.30 -7.606525867e-01 -7.606525867e-01 4.32 -7.389771308e-01 -7.389771308e-01 4.34 -7.177718752e-01 -7.177718752e-01 4.36 -6.970432981e-01 -6.970432981e-01 4.38 -6.767965076e-01 -6.767965076e-01 4.40 -6.570347054e-01 -6.570347054e-01 4.42 -6.377587754e-01 -6.377587754e-01 4.44 -6.189670375e-01 -6.189670375e-01 4.46 -6.006551784e-01 -6.006551784e-01 4.48 -5.828163469e-01 -5.828163469e-01 4.50 -5.654413803e-01 -5.654413803e-01 4.52 -5.485191236e-01 -5.485191236e-01 4.54 -5.320367943e-01 -5.320367943e-01 4.56 -5.159803597e-01 -5.159803597e-01 4.58 -5.003348961e-01 -5.003348961e-01 4.60 -4.850849165e-01 -4.850849165e-01 4.62 -4.702146588e-01 -4.702146588e-01 4.64 -4.557083377e-01 -4.557083377e-01 4.66 -4.415503659e-01 -4.415503659e-01 4.68 -4.277255550e-01 -4.277255550e-01 4.70 -4.142193048e-01 -4.142193048e-01 4.72 -4.010177897e-01 -4.010177897e-01 4.74 -3.881081471e-01 -3.881081471e-01 4.76 -3.754786696e-01 -3.754786696e-01 4.78 -3.631189997e-01 -3.631189997e-01 4.80 -3.510186547e-01 -3.510186547e-01 4.82 -3.391741253e-01 -3.391741253e-01 4.84 -3.275781920e-01 -3.275781920e-01 4.86 -3.162275694e-01 -3.162275694e-01 4.88 -3.051209547e-01 -3.051209547e-01 4.90 -2.942589727e-01 -2.942589727e-01 4.92 -2.836440240e-01 -2.836440240e-01 4.94 -2.732800302e-01 -2.732800302e-01 4.96 -2.631720811e-01 -2.631720811e-01 4.98 -2.533260001e-01 -2.533260001e-01 5.00 -2.437478565e-01 -2.437478565e-01 5.02 -2.344434648e-01 -2.344434648e-01 5.04 -2.254179106e-01 -2.254179106e-01 5.06 -2.166751488e-01 -2.166751488e-01 5.08 -2.082177069e-01 -2.082177069e-01 5.10 -2.000465162e-01 -2.000465162e-01 5.12 -1.921608772e-01 -1.921608772e-01 5.14 -1.845585497e-01 -1.845585497e-01 5.16 -1.772359418e-01 -1.772359418e-01 5.18 -1.701883656e-01 -1.701883656e-01 5.20 -1.634103210e-01 -1.634103210e-01 5.22 -1.568957708e-01 -1.568957708e-01 5.24 -1.506383726e-01 -1.506383726e-01 5.26 -1.446316550e-01 -1.446316550e-01 5.28 -1.388691241e-01 -1.388691241e-01 5.30 -1.333442994e-01 -1.333442994e-01 5.32 -1.280506924e-01 -1.280506924e-01 5.34 -1.229817445e-01 -1.229817445e-01 5.36 -1.181307410e-01 -1.181307410e-01 5.38 -1.134907224e-01 -1.134907224e-01 5.40 -1.090544112e-01 -1.090544112e-01 5.42 -1.048141637e-01 -1.048141637e-01 5.44 -1.007619520e-01 -1.007619520e-01 5.46 -9.688937780e-02 -9.688937780e-02 5.48 -9.318771384e-02 -9.318771384e-02 5.50 -8.964796737e-02 -8.964796737e-02 5.52 -8.626095827e-02 -8.626095827e-02 5.54 -8.301728450e-02 -8.301728450e-02 5.56 -7.990741194e-02 -7.990741194e-02 5.58 -7.692224949e-02 -7.692224949e-02 5.60 -7.405283449e-02 -7.405283449e-02 5.62 -7.129039489e-02 -7.129039489e-02 5.64 -6.862642223e-02 -6.862642223e-02 5.66 -6.605273373e-02 -6.605273373e-02 5.68 -6.356152459e-02 -6.356152459e-02 5.70 -6.114541159e-02 -6.114541159e-02 5.72 -5.879746969e-02 -5.879746969e-02 5.74 -5.651126316e-02 -5.651126316e-02 5.76 -5.428087306e-02 -5.428087306e-02 5.78 -5.210092235e-02 -5.210092235e-02 5.80 -4.996660010e-02 -4.996660010e-02 5.82 -4.787368536e-02 -4.787368536e-02 5.84 -4.581857100e-02 -4.581857100e-02 5.86 -4.379828721e-02 -4.379828721e-02 5.88 -4.181052339e-02 -4.181052339e-02 5.90 -3.985364681e-02 -3.985364681e-02 5.92 -3.792671559e-02 -3.792671559e-02 5.94 -3.602948357e-02 -3.602948357e-02 5.96 -3.416239447e-02 -3.416239447e-02 5.98 -3.232655620e-02 -3.232655620e-02 6.00 -3.052370425e-02 -3.052370425e-02