# 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 = MgMoW2 # 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 4.845467378e+02 4.845467378e+02 1.30 4.480979827e+02 4.480979827e+02 1.32 4.144705747e+02 4.144705747e+02 1.34 3.834205876e+02 3.834205876e+02 1.36 3.547189470e+02 3.547189470e+02 1.38 3.281540645e+02 3.281540645e+02 1.40 3.035358256e+02 3.035358256e+02 1.42 2.806979075e+02 2.806979075e+02 1.44 2.594968889e+02 2.594968889e+02 1.46 2.398087427e+02 2.398087427e+02 1.48 2.215244731e+02 2.215244731e+02 1.50 2.045464417e+02 2.045464417e+02 1.52 1.887859989e+02 1.887859989e+02 1.54 1.741621675e+02 1.741621675e+02 1.56 1.606007657e+02 1.606007657e+02 1.58 1.480334702e+02 1.480334702e+02 1.60 1.363966575e+02 1.363966575e+02 1.62 1.256301627e+02 1.256301627e+02 1.64 1.156762178e+02 1.156762178e+02 1.66 1.064787612e+02 1.064787612e+02 1.68 9.798316498e+01 9.798316498e+01 1.70 9.013630493e+01 9.013630493e+01 1.72 8.288683579e+01 8.288683579e+01 1.74 7.618556747e+01 7.618556747e+01 1.76 6.998588459e+01 6.998588459e+01 1.78 6.424419402e+01 6.424419402e+01 1.80 5.892038538e+01 5.892038538e+01 1.82 5.397827079e+01 5.397827079e+01 1.84 4.938610414e+01 4.938610414e+01 1.86 4.511751164e+01 4.511751164e+01 1.88 4.114910174e+01 4.114910174e+01 1.90 3.746210973e+01 3.746210973e+01 1.92 3.404051352e+01 3.404051352e+01 1.94 3.086817970e+01 3.086817970e+01 1.96 2.793030542e+01 2.793030542e+01 1.98 2.521278714e+01 2.521278714e+01 2.00 2.270189563e+01 2.270189563e+01 2.02 2.038412749e+01 2.038412749e+01 2.04 1.824614673e+01 1.824614673e+01 2.06 1.627478439e+01 1.627478439e+01 2.08 1.445709052e+01 1.445709052e+01 2.10 1.278044705e+01 1.278044705e+01 2.12 1.123274269e+01 1.123274269e+01 2.14 9.802588491e+00 9.802588491e+00 2.16 8.479531363e+00 8.479531363e+00 2.18 7.254211780e+00 7.254211780e+00 2.20 6.118428572e+00 6.118428572e+00 2.22 5.065098957e+00 5.065098957e+00 2.24 4.088135642e+00 4.088135642e+00 2.26 3.182276799e+00 3.182276799e+00 2.28 2.342905596e+00 2.342905596e+00 2.30 1.565889027e+00 1.565889027e+00 2.32 8.474459632e-01 8.474459632e-01 2.34 1.840544582e-01 1.840544582e-01 2.36 -4.276111123e-01 -4.276111123e-01 2.38 -9.907151184e-01 -9.907151184e-01 2.40 -1.508277185e+00 -1.508277185e+00 2.42 -1.983176879e+00 -1.983176879e+00 2.44 -2.418150547e+00 -2.418150547e+00 2.46 -2.815785146e+00 -2.815785146e+00 2.48 -3.178380062e+00 -3.178380062e+00 2.50 -3.508211685e+00 -3.508211685e+00 2.52 -3.807536326e+00 -3.807536326e+00 2.54 -4.078415639e+00 -4.078415639e+00 2.56 -4.322724553e+00 -4.322724553e+00 2.58 -4.542163644e+00 -4.542163644e+00 2.60 -4.738276103e+00 -4.738276103e+00 2.62 -4.912468384e+00 -4.912468384e+00 2.64 -5.065913390e+00 -5.065913390e+00 2.66 -5.199245231e+00 -5.199245231e+00 2.68 -5.313012248e+00 -5.313012248e+00 2.70 -5.407810820e+00 -5.407810820e+00 2.72 -5.484189773e+00 -5.484189773e+00 2.74 -5.542818540e+00 -5.542818540e+00 2.76 -5.584513246e+00 -5.584513246e+00 2.78 -5.610092376e+00 -5.610092376e+00 2.80 -5.620372877e+00 -5.620372877e+00 2.82 -5.616167902e+00 -5.616167902e+00 2.84 -5.598290077e+00 -5.598290077e+00 2.86 -5.567558635e+00 -5.567558635e+00 2.88 -5.524804294e+00 -5.524804294e+00 2.90 -5.470770703e+00 -5.470770703e+00 2.92 -5.406163206e+00 -5.406163206e+00 2.94 -5.331770683e+00 -5.331770683e+00 2.96 -5.248463689e+00 -5.248463689e+00 2.98 -5.157178752e+00 -5.157178752e+00 3.00 -5.058892572e+00 -5.058892572e+00 3.02 -4.954587490e+00 -4.954587490e+00 3.04 -4.845211554e+00 -4.845211554e+00 3.06 -4.731639135e+00 -4.731639135e+00 3.08 -4.614634902e+00 -4.614634902e+00 3.10 -4.494829355e+00 -4.494829355e+00 3.12 -4.372705725e+00 -4.372705725e+00 3.14 -4.248601860e+00 -4.248601860e+00 3.16 -4.122721338e+00 -4.122721338e+00 3.18 -3.995157318e+00 -3.995157318e+00 3.20 -3.865921263e+00 -3.865921263e+00 3.22 -3.734975493e+00 -3.734975493e+00 3.24 -3.602266674e+00 -3.602266674e+00 3.26 -3.467758242e+00 -3.467758242e+00 3.28 -3.331460260e+00 -3.331460260e+00 3.30 -3.193455499e+00 -3.193455499e+00 3.32 -3.053920730e+00 -3.053920730e+00 3.34 -2.913151122e+00 -2.913151122e+00 3.36 -2.771587223e+00 -2.771587223e+00 3.38 -2.629649389e+00 -2.629649389e+00 3.40 -2.487868316e+00 -2.487868316e+00 3.42 -2.346889813e+00 -2.346889813e+00 3.44 -2.207233106e+00 -2.207233106e+00 3.46 -2.069338505e+00 -2.069338505e+00 3.48 -1.933791915e+00 -1.933791915e+00 3.50 -1.801293828e+00 -1.801293828e+00 3.52 -1.672609999e+00 -1.672609999e+00 3.54 -1.548517751e+00 -1.548517751e+00 3.56 -1.429752977e+00 -1.429752977e+00 3.58 -1.316963016e+00 -1.316963016e+00 3.60 -1.210669767e+00 -1.210669767e+00 3.62 -1.111245786e+00 -1.111245786e+00 3.64 -1.018904192e+00 -1.018904192e+00 3.66 -9.337013834e-01 -9.337013834e-01 3.68 -8.555502115e-01 -8.555502115e-01 3.70 -7.842405049e-01 -7.842405049e-01 3.72 -7.194637178e-01 -7.194637178e-01 3.74 -6.608387860e-01 -6.608387860e-01 3.76 -6.079369023e-01 -6.079369023e-01 3.78 -5.603036295e-01 -5.603036295e-01 3.80 -5.174774516e-01 -5.174774516e-01 3.82 -4.790044252e-01 -4.790044252e-01 3.84 -4.444490087e-01 -4.444490087e-01 3.86 -4.134014309e-01 -4.134014309e-01 3.88 -3.854821149e-01 -3.854821149e-01 3.90 -3.603437485e-01 -3.603437485e-01 3.92 -3.376714587e-01 -3.376714587e-01 3.94 -3.171824687e-01 -3.171824687e-01 3.96 -2.986235201e-01 -2.986235201e-01 3.98 -2.817694208e-01 -2.817694208e-01 4.00 -2.664206085e-01 -2.664206085e-01 4.02 -2.524008674e-01 -2.524008674e-01 4.04 -2.395550862e-01 -2.395550862e-01 4.06 -2.277471206e-01 -2.277471206e-01 4.08 -2.168578025e-01 -2.168578025e-01 4.10 -2.067825311e-01 -2.067825311e-01 4.12 -1.974304473e-01 -1.974304473e-01 4.14 -1.887227048e-01 -1.887227048e-01 4.16 -1.805911465e-01 -1.805911465e-01 4.18 -1.729761919e-01 -1.729761919e-01 4.20 -1.658258405e-01 -1.658258405e-01 4.22 -1.590947299e-01 -1.590947299e-01 4.24 -1.527432745e-01 -1.527432745e-01 4.26 -1.467368931e-01 -1.467368931e-01 4.28 -1.410453276e-01 -1.410453276e-01 4.30 -1.356420473e-01 -1.356420473e-01 4.32 -1.305037322e-01 -1.305037322e-01 4.34 -1.256098273e-01 -1.256098273e-01 4.36 -1.209421601e-01 -1.209421601e-01 4.38 -1.164846108e-01 -1.164846108e-01 4.40 -1.122228312e-01 -1.122228312e-01 4.42 -1.081440036e-01 -1.081440036e-01 4.44 -1.042366345e-01 -1.042366345e-01 4.46 -1.004903791e-01 -1.004903791e-01 4.48 -9.689589000e-02 -9.689589000e-02 4.50 -9.344468861e-02 -9.344468861e-02 4.52 -9.012905467e-02 -9.012905467e-02 4.54 -8.694193073e-02 -8.694193073e-02 4.56 -8.387684149e-02 -8.387684149e-02 4.58 -8.092782397e-02 -8.092782397e-02 4.60 -7.808936731e-02 -7.808936731e-02 4.62 -7.535636091e-02 -7.535636091e-02 4.64 -7.272404954e-02 -7.272404954e-02 4.66 -7.018799457e-02 -7.018799457e-02 4.68 -6.774404030e-02 -6.774404030e-02 4.70 -6.538828462e-02 -6.538828462e-02 4.72 -6.311705352e-02 -6.311705352e-02 4.74 -6.092687874e-02 -6.092687874e-02 4.76 -5.881447812e-02 -5.881447812e-02 4.78 -5.677673841e-02 -5.677673841e-02 4.80 -5.481049428e-02 -5.481049428e-02 4.82 -5.291337433e-02 -5.291337433e-02 4.84 -5.108243248e-02 -5.108243248e-02 4.86 -4.931507049e-02 -4.931507049e-02 4.88 -4.760882704e-02 -4.760882704e-02 4.90 -4.596134291e-02 -4.596134291e-02 4.92 -4.437034901e-02 -4.437034901e-02 4.94 -4.283365968e-02 -4.283365968e-02 4.96 -4.134916668e-02 -4.134916668e-02 4.98 -3.991483365e-02 -3.991483365e-02 5.00 -3.852869140e-02 -3.852869140e-02 5.02 -3.718883387e-02 -3.718883387e-02 5.04 -3.589341473e-02 -3.589341473e-02 5.06 -3.464064472e-02 -3.464064472e-02 5.08 -3.342878989e-02 -3.342878989e-02 5.10 -3.225617068e-02 -3.225617068e-02 5.12 -3.112116215e-02 -3.112116215e-02 5.14 -3.002219538e-02 -3.002219538e-02 5.16 -2.895776017e-02 -2.895776017e-02 5.18 -2.792640921e-02 -2.792640921e-02 5.20 -2.692676378e-02 -2.692676378e-02 5.22 -2.595752089e-02 -2.595752089e-02 5.24 -2.501746193e-02 -2.501746193e-02 5.26 -2.410546231e-02 -2.410546231e-02 5.28 -2.322050185e-02 -2.322050185e-02 5.30 -2.236167498e-02 -2.236167498e-02 5.32 -2.152819999e-02 -2.152819999e-02 5.34 -2.071942547e-02 -2.071942547e-02 5.36 -1.993480568e-02 -1.993480568e-02 5.38 -1.917394614e-02 -1.917394614e-02 5.40 -1.843659549e-02 -1.843659549e-02 5.42 -1.772261112e-02 -1.772261112e-02 5.44 -1.703193719e-02 -1.703193719e-02 5.46 -1.636457626e-02 -1.636457626e-02 5.48 -1.572055574e-02 -1.572055574e-02 5.50 -1.509989173e-02 -1.509989173e-02 5.52 -1.450255309e-02 -1.450255309e-02 5.54 -1.392842889e-02 -1.392842889e-02 5.56 -1.337730201e-02 -1.337730201e-02 5.58 -1.284883114e-02 -1.284883114e-02 5.60 -1.234254205e-02 -1.234254205e-02 5.62 -1.185782846e-02 -1.185782846e-02 5.64 -1.139396125e-02 -1.139396125e-02 5.66 -1.095010431e-02 -1.095010431e-02 5.68 -1.052533484e-02 -1.052533484e-02 5.70 -1.011866589e-02 -1.011866589e-02 5.72 -9.729068986e-03 -9.729068986e-03 5.74 -9.355495320e-03 -9.355495320e-03 5.76 -8.996894376e-03 -8.996894376e-03 5.78 -8.652229394e-03 -8.652229394e-03 5.80 -8.320489501e-03 -8.320489501e-03 5.82 -8.000698673e-03 -8.000698673e-03 5.84 -7.691921940e-03 -7.691921940e-03 5.86 -7.393269345e-03 -7.393269345e-03 5.88 -7.103898228e-03 -7.103898228e-03 5.90 -6.823014421e-03 -6.823014421e-03 5.92 -6.549872856e-03 -6.549872856e-03 5.94 -6.283778061e-03 -6.283778061e-03 5.96 -6.024084914e-03 -6.024084914e-03 5.98 -5.770199958e-03 -5.770199958e-03 6.00 -5.521583496e-03 -5.521583496e-03