# 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 = MgPbPd2 # 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 3.671610944e+02 3.671610944e+02 1.30 3.413023362e+02 3.413023362e+02 1.32 3.173042474e+02 3.173042474e+02 1.34 2.950194758e+02 2.950194758e+02 1.36 2.743140593e+02 2.743140593e+02 1.38 2.550662110e+02 2.550662110e+02 1.40 2.371650111e+02 2.371650111e+02 1.42 2.205088829e+02 2.205088829e+02 1.44 2.050043310e+02 2.050043310e+02 1.46 1.905652935e+02 1.905652935e+02 1.48 1.771127778e+02 1.771127778e+02 1.50 1.645743267e+02 1.645743267e+02 1.52 1.528832692e+02 1.528832692e+02 1.54 1.419779441e+02 1.419779441e+02 1.56 1.318011358e+02 1.318011358e+02 1.58 1.222997372e+02 1.222997372e+02 1.60 1.134246105e+02 1.134246105e+02 1.62 1.051305406e+02 1.051305406e+02 1.64 9.737618716e+01 9.737618716e+01 1.66 9.012751043e+01 9.012751043e+01 1.68 8.338264921e+01 8.338264921e+01 1.70 7.711527068e+01 7.711527068e+01 1.72 7.129143621e+01 7.129143621e+01 1.74 6.587943065e+01 6.587943065e+01 1.76 6.084956303e+01 6.084956303e+01 1.78 5.617422610e+01 5.617422610e+01 1.80 5.182798888e+01 5.182798888e+01 1.82 4.778756239e+01 4.778756239e+01 1.84 4.403162524e+01 4.403162524e+01 1.86 4.054053334e+01 4.054053334e+01 1.88 3.729602305e+01 3.729602305e+01 1.90 3.428098564e+01 3.428098564e+01 1.92 3.147937315e+01 3.147937315e+01 1.94 2.887619232e+01 2.887619232e+01 1.96 2.645753259e+01 2.645753259e+01 1.98 2.421055216e+01 2.421055216e+01 2.00 2.212340471e+01 2.212340471e+01 2.02 2.018512726e+01 2.018512726e+01 2.04 1.838552310e+01 1.838552310e+01 2.06 1.671506809e+01 1.671506809e+01 2.08 1.516484884e+01 1.516484884e+01 2.10 1.372653384e+01 1.372653384e+01 2.12 1.239235769e+01 1.239235769e+01 2.14 1.115510991e+01 1.115510991e+01 2.16 1.000811607e+01 1.000811607e+01 2.18 8.945208357e+00 8.945208357e+00 2.20 7.960687523e+00 7.960687523e+00 2.22 7.049283037e+00 7.049283037e+00 2.24 6.206115152e+00 6.206115152e+00 2.26 5.426661105e+00 5.426661105e+00 2.28 4.706719530e+00 4.706719530e+00 2.30 4.042380728e+00 4.042380728e+00 2.32 3.429984604e+00 3.429984604e+00 2.34 2.866087959e+00 2.866087959e+00 2.36 2.347429642e+00 2.347429642e+00 2.38 1.870907719e+00 1.870907719e+00 2.40 1.433566707e+00 1.433566707e+00 2.42 1.032593417e+00 1.032593417e+00 2.44 6.653179625e-01 6.653179625e-01 2.46 3.292151444e-01 3.292151444e-01 2.48 2.190627541e-02 2.190627541e-02 2.50 -2.588369237e-01 -2.588369237e-01 2.52 -5.150844210e-01 -5.150844210e-01 2.54 -7.487373645e-01 -7.487373645e-01 2.56 -9.615200407e-01 -9.615200407e-01 2.58 -1.154980108e+00 -1.154980108e+00 2.60 -1.330499856e+00 -1.330499856e+00 2.62 -1.489474277e+00 -1.489474277e+00 2.64 -1.633563340e+00 -1.633563340e+00 2.66 -1.763539711e+00 -1.763539711e+00 2.68 -1.880072348e+00 -1.880072348e+00 2.70 -1.983823968e+00 -1.983823968e+00 2.72 -2.075450723e+00 -2.075450723e+00 2.74 -2.155600224e+00 -2.155600224e+00 2.76 -2.224909241e+00 -2.224909241e+00 2.78 -2.284002672e+00 -2.284002672e+00 2.80 -2.333531417e+00 -2.333531417e+00 2.82 -2.374192663e+00 -2.374192663e+00 2.84 -2.406667224e+00 -2.406667224e+00 2.86 -2.431619385e+00 -2.431619385e+00 2.88 -2.449702539e+00 -2.449702539e+00 2.90 -2.461561005e+00 -2.461561005e+00 2.92 -2.467826587e+00 -2.467826587e+00 2.94 -2.469109720e+00 -2.469109720e+00 2.96 -2.465986835e+00 -2.465986835e+00 2.98 -2.458987076e+00 -2.458987076e+00 3.00 -2.448581899e+00 -2.448581899e+00 3.02 -2.435180203e+00 -2.435180203e+00 3.04 -2.419129223e+00 -2.419129223e+00 3.06 -2.400723765e+00 -2.400723765e+00 3.08 -2.380212337e+00 -2.380212337e+00 3.10 -2.357816916e+00 -2.357816916e+00 3.12 -2.333759510e+00 -2.333759510e+00 3.14 -2.308193419e+00 -2.308193419e+00 3.16 -2.281255491e+00 -2.281255491e+00 3.18 -2.253083455e+00 -2.253083455e+00 3.20 -2.223814201e+00 -2.223814201e+00 3.22 -2.193581923e+00 -2.193581923e+00 3.24 -2.162515722e+00 -2.162515722e+00 3.26 -2.130737302e+00 -2.130737302e+00 3.28 -2.098369036e+00 -2.098369036e+00 3.30 -2.065506367e+00 -2.065506367e+00 3.32 -2.032218449e+00 -2.032218449e+00 3.34 -1.998571200e+00 -1.998571200e+00 3.36 -1.964627278e+00 -1.964627278e+00 3.38 -1.930446274e+00 -1.930446274e+00 3.40 -1.896084787e+00 -1.896084787e+00 3.42 -1.861597483e+00 -1.861597483e+00 3.44 -1.827035871e+00 -1.827035871e+00 3.46 -1.792440865e+00 -1.792440865e+00 3.48 -1.757833568e+00 -1.757833568e+00 3.50 -1.723235534e+00 -1.723235534e+00 3.52 -1.688670598e+00 -1.688670598e+00 3.54 -1.654163934e+00 -1.654163934e+00 3.56 -1.619741256e+00 -1.619741256e+00 3.58 -1.585428206e+00 -1.585428206e+00 3.60 -1.551249933e+00 -1.551249933e+00 3.62 -1.517230862e+00 -1.517230862e+00 3.64 -1.483394607e+00 -1.483394607e+00 3.66 -1.449763984e+00 -1.449763984e+00 3.68 -1.416361054e+00 -1.416361054e+00 3.70 -1.383207124e+00 -1.383207124e+00 3.72 -1.350322670e+00 -1.350322670e+00 3.74 -1.317727134e+00 -1.317727134e+00 3.76 -1.285438643e+00 -1.285438643e+00 3.78 -1.253473675e+00 -1.253473675e+00 3.80 -1.221846773e+00 -1.221846773e+00 3.82 -1.190570373e+00 -1.190570373e+00 3.84 -1.159654800e+00 -1.159654800e+00 3.86 -1.129108449e+00 -1.129108449e+00 3.88 -1.098938146e+00 -1.098938146e+00 3.90 -1.069149637e+00 -1.069149637e+00 3.92 -1.039747793e+00 -1.039747793e+00 3.94 -1.010738981e+00 -1.010738981e+00 3.96 -9.821291595e-01 -9.821291595e-01 3.98 -9.539265311e-01 -9.539265311e-01 4.00 -9.261418133e-01 -9.261418133e-01 4.02 -8.987889139e-01 -8.987889139e-01 4.04 -8.718854016e-01 -8.718854016e-01 4.06 -8.454526573e-01 -8.454526573e-01 4.08 -8.195155957e-01 -8.195155957e-01 4.10 -7.941006625e-01 -7.941006625e-01 4.12 -7.692397071e-01 -7.692397071e-01 4.14 -7.449601808e-01 -7.449601808e-01 4.16 -7.212888877e-01 -7.212888877e-01 4.18 -6.982484822e-01 -6.982484822e-01 4.20 -6.758556881e-01 -6.758556881e-01 4.22 -6.541199403e-01 -6.541199403e-01 4.24 -6.330426000e-01 -6.330426000e-01 4.26 -6.126167947e-01 -6.126167947e-01 4.28 -5.928278438e-01 -5.928278438e-01 4.30 -5.736541512e-01 -5.736541512e-01 4.32 -5.550684061e-01 -5.550684061e-01 4.34 -5.370389282e-01 -5.370389282e-01 4.36 -5.195310118e-01 -5.195310118e-01 4.38 -5.025081679e-01 -5.025081679e-01 4.40 -4.859332021e-01 -4.859332021e-01 4.42 -4.697691115e-01 -4.697691115e-01 4.44 -4.539798137e-01 -4.539798137e-01 4.46 -4.385307406e-01 -4.385307406e-01 4.48 -4.233893417e-01 -4.233893417e-01 4.50 -4.085255441e-01 -4.085255441e-01 4.52 -3.939122083e-01 -3.939122083e-01 4.54 -3.795256119e-01 -3.795256119e-01 4.56 -3.653459780e-01 -3.653459780e-01 4.58 -3.513580451e-01 -3.513580451e-01 4.60 -3.375516608e-01 -3.375516608e-01 4.62 -3.239223548e-01 -3.239223548e-01 4.64 -3.104718321e-01 -3.104718321e-01 4.66 -2.972083095e-01 -2.972083095e-01 4.68 -2.841466093e-01 -2.841466093e-01 4.70 -2.713079314e-01 -2.713079314e-01 4.72 -2.587192386e-01 -2.587192386e-01 4.74 -2.464122266e-01 -2.464122266e-01 4.76 -2.344218950e-01 -2.344218950e-01 4.78 -2.227847887e-01 -2.227847887e-01 4.80 -2.115360750e-01 -2.115360750e-01 4.82 -2.007115195e-01 -2.007115195e-01 4.84 -1.903393699e-01 -1.903393699e-01 4.86 -1.804431275e-01 -1.804431275e-01 4.88 -1.710392604e-01 -1.710392604e-01 4.90 -1.621365720e-01 -1.621365720e-01 4.92 -1.537360989e-01 -1.537360989e-01 4.94 -1.458314923e-01 -1.458314923e-01 4.96 -1.384097936e-01 -1.384097936e-01 4.98 -1.314524958e-01 -1.314524958e-01 5.00 -1.249367583e-01 -1.249367583e-01 5.02 -1.188366642e-01 -1.188366642e-01 5.04 -1.131244219e-01 -1.131244219e-01 5.06 -1.077714522e-01 -1.077714522e-01 5.08 -1.027493154e-01 -1.027493154e-01 5.10 -9.803046113e-02 -9.803046113e-02 5.12 -9.358879885e-02 -9.358879885e-02 5.14 -8.939997080e-02 -8.939997080e-02 5.16 -8.544162883e-02 -8.544162883e-02 5.18 -8.169409273e-02 -8.169409273e-02 5.20 -7.813988360e-02 -7.813988360e-02 5.22 -7.476365878e-02 -7.476365878e-02 5.24 -7.155209817e-02 -7.155209817e-02 5.26 -6.849373356e-02 -6.849373356e-02 5.28 -6.557873914e-02 -6.557873914e-02 5.30 -6.279850396e-02 -6.279850396e-02 5.32 -6.014540288e-02 -6.014540288e-02 5.34 -5.761339935e-02 -5.761339935e-02 5.36 -5.519713055e-02 -5.519713055e-02 5.38 -5.289168956e-02 -5.289168956e-02 5.40 -5.069247527e-02 -5.069247527e-02 5.42 -4.859507192e-02 -4.859507192e-02 5.44 -4.659515790e-02 -4.659515790e-02 5.46 -4.468844140e-02 -4.468844140e-02 5.48 -4.287061894e-02 -4.287061894e-02 5.50 -4.113735276e-02 -4.113735276e-02 5.52 -3.948426306e-02 -3.948426306e-02 5.54 -3.790693213e-02 -3.790693213e-02 5.56 -3.640091625e-02 -3.640091625e-02 5.58 -3.496176593e-02 -3.496176593e-02 5.60 -3.358505131e-02 -3.358505131e-02 5.62 -3.226639128e-02 -3.226639128e-02 5.64 -3.100148476e-02 -3.100148476e-02 5.66 -2.978614285e-02 -2.978614285e-02 5.68 -2.861632024e-02 -2.861632024e-02 5.70 -2.748814470e-02 -2.748814470e-02 5.72 -2.639794392e-02 -2.639794392e-02 5.74 -2.534226909e-02 -2.534226909e-02 5.76 -2.431791501e-02 -2.431791501e-02 5.78 -2.332193736e-02 -2.332193736e-02 5.80 -2.235166814e-02 -2.235166814e-02 5.82 -2.140472705e-02 -2.140472705e-02 5.84 -2.047903181e-02 -2.047903181e-02 5.86 -1.957280673e-02 -1.957280673e-02 5.88 -1.868458957e-02 -1.868458957e-02 5.90 -1.781323630e-02 -1.781323630e-02 5.92 -1.695792306e-02 -1.695792306e-02 5.94 -1.611814465e-02 -1.611814465e-02 5.96 -1.529370841e-02 -1.529370841e-02 5.98 -1.448472263e-02 -1.448472263e-02 6.00 -1.369157851e-02 -1.369157851e-02