# 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 = MgPd2Ta # 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 3.977044299e+02 3.977044299e+02 1.30 3.689680897e+02 3.689680897e+02 1.32 3.423555183e+02 3.423555183e+02 1.34 3.176998207e+02 3.176998207e+02 1.36 2.948453853e+02 2.948453853e+02 1.38 2.736476806e+02 2.736476806e+02 1.40 2.539734145e+02 2.539734145e+02 1.42 2.357004762e+02 2.357004762e+02 1.44 2.187177647e+02 2.187177647e+02 1.46 2.029248474e+02 2.029248474e+02 1.48 1.882311373e+02 1.882311373e+02 1.50 1.745546989e+02 1.745546989e+02 1.52 1.618210413e+02 1.618210413e+02 1.54 1.499619906e+02 1.499619906e+02 1.56 1.389145901e+02 1.389145901e+02 1.58 1.286201372e+02 1.286201372e+02 1.60 1.190236496e+02 1.190236496e+02 1.62 1.100738652e+02 1.100738652e+02 1.64 1.017235391e+02 1.017235391e+02 1.66 9.392962316e+01 9.392962316e+01 1.68 8.665308240e+01 8.665308240e+01 1.70 7.985836105e+01 7.985836105e+01 1.72 7.351491220e+01 7.351491220e+01 1.74 6.759524653e+01 6.759524653e+01 1.76 6.207002434e+01 6.207002434e+01 1.78 5.691718589e+01 5.691718589e+01 1.80 5.213504205e+01 5.213504205e+01 1.82 4.769999810e+01 4.769999810e+01 1.84 4.358743759e+01 4.358743759e+01 1.86 3.977468492e+01 3.977468492e+01 1.88 3.624069652e+01 3.624069652e+01 1.90 3.296585102e+01 3.296585102e+01 1.92 2.993191075e+01 2.993191075e+01 1.94 2.712209551e+01 2.712209551e+01 1.96 2.452112382e+01 2.452112382e+01 1.98 2.211509759e+01 2.211509759e+01 2.00 1.989123189e+01 1.989123189e+01 2.02 1.783753186e+01 1.783753186e+01 2.04 1.594253871e+01 1.594253871e+01 2.06 1.419521051e+01 1.419521051e+01 2.08 1.258492965e+01 1.258492965e+01 2.10 1.110158488e+01 1.110158488e+01 2.12 9.735667587e+00 9.735667587e+00 2.14 8.478344144e+00 8.478344144e+00 2.16 7.321487111e+00 7.321487111e+00 2.18 6.257664970e+00 6.257664970e+00 2.20 5.280100505e+00 5.280100505e+00 2.22 4.382606772e+00 4.382606772e+00 2.24 3.559513214e+00 3.559513214e+00 2.26 2.805589454e+00 2.805589454e+00 2.28 2.115971819e+00 2.115971819e+00 2.30 1.486098726e+00 1.486098726e+00 2.32 9.116561311e-01 9.116561311e-01 2.34 3.885404515e-01 3.885404515e-01 2.36 -8.714583199e-02 -8.714583199e-02 2.38 -5.189824836e-01 -5.189824836e-01 2.40 -9.106504170e-01 -9.106504170e-01 2.42 -1.265665169e+00 -1.265665169e+00 2.44 -1.587272140e+00 -1.587272140e+00 2.46 -1.878452660e+00 -1.878452660e+00 2.48 -2.141932157e+00 -2.141932157e+00 2.50 -2.380001636e+00 -2.380001636e+00 2.52 -2.594498768e+00 -2.594498768e+00 2.54 -2.787158293e+00 -2.787158293e+00 2.56 -2.959596868e+00 -2.959596868e+00 2.58 -3.113282305e+00 -3.113282305e+00 2.60 -3.249527515e+00 -3.249527515e+00 2.62 -3.369504393e+00 -3.369504393e+00 2.64 -3.474269064e+00 -3.474269064e+00 2.66 -3.564787559e+00 -3.564787559e+00 2.68 -3.641958432e+00 -3.641958432e+00 2.70 -3.706628120e+00 -3.706628120e+00 2.72 -3.759600378e+00 -3.759600378e+00 2.74 -3.801641406e+00 -3.801641406e+00 2.76 -3.833482706e+00 -3.833482706e+00 2.78 -3.856079253e+00 -3.856079253e+00 2.80 -3.870515057e+00 -3.870515057e+00 2.82 -3.877161443e+00 -3.877161443e+00 2.84 -3.876394848e+00 -3.876394848e+00 2.86 -3.868622054e+00 -3.868622054e+00 2.88 -3.854279048e+00 -3.854279048e+00 2.90 -3.833828174e+00 -3.833828174e+00 2.92 -3.807751914e+00 -3.807751914e+00 2.94 -3.776543486e+00 -3.776543486e+00 2.96 -3.740730845e+00 -3.740730845e+00 2.98 -3.700870667e+00 -3.700870667e+00 3.00 -3.657470584e+00 -3.657470584e+00 3.02 -3.610977492e+00 -3.610977492e+00 3.04 -3.561776489e+00 -3.561776489e+00 3.06 -3.510196202e+00 -3.510196202e+00 3.08 -3.456514819e+00 -3.456514819e+00 3.10 -3.400970669e+00 -3.400970669e+00 3.12 -3.343771076e+00 -3.343771076e+00 3.14 -3.285101431e+00 -3.285101431e+00 3.16 -3.225130999e+00 -3.225130999e+00 3.18 -3.164019243e+00 -3.164019243e+00 3.20 -3.101919844e+00 -3.101919844e+00 3.22 -3.038983890e+00 -3.038983890e+00 3.24 -2.975362122e+00 -2.975362122e+00 3.26 -2.911206184e+00 -2.911206184e+00 3.28 -2.846669140e+00 -2.846669140e+00 3.30 -2.781935233e+00 -2.781935233e+00 3.32 -2.717127310e+00 -2.717127310e+00 3.34 -2.652337068e+00 -2.652337068e+00 3.36 -2.587662427e+00 -2.587662427e+00 3.38 -2.523202391e+00 -2.523202391e+00 3.40 -2.459038598e+00 -2.459038598e+00 3.42 -2.395163397e+00 -2.395163397e+00 3.44 -2.331557143e+00 -2.331557143e+00 3.46 -2.268225813e+00 -2.268225813e+00 3.48 -2.205189749e+00 -2.205189749e+00 3.50 -2.142474301e+00 -2.142474301e+00 3.52 -2.080103051e+00 -2.080103051e+00 3.54 -2.018093756e+00 -2.018093756e+00 3.56 -1.956456842e+00 -1.956456842e+00 3.58 -1.895196064e+00 -1.895196064e+00 3.60 -1.834310843e+00 -1.834310843e+00 3.62 -1.773799797e+00 -1.773799797e+00 3.64 -1.713664986e+00 -1.713664986e+00 3.66 -1.653916454e+00 -1.653916454e+00 3.68 -1.594576657e+00 -1.594576657e+00 3.70 -1.535684394e+00 -1.535684394e+00 3.72 -1.477297860e+00 -1.477297860e+00 3.74 -1.419496456e+00 -1.419496456e+00 3.76 -1.362381068e+00 -1.362381068e+00 3.78 -1.306072572e+00 -1.306072572e+00 3.80 -1.250708533e+00 -1.250708533e+00 3.82 -1.196438187e+00 -1.196438187e+00 3.84 -1.143416069e+00 -1.143416069e+00 3.86 -1.091794792e+00 -1.091794792e+00 3.88 -1.041717658e+00 -1.041717658e+00 3.90 -9.933118186e-01 -9.933118186e-01 3.92 -9.466825406e-01 -9.466825406e-01 3.94 -9.019098830e-01 -9.019098830e-01 3.96 -8.590460135e-01 -8.590460135e-01 3.98 -8.181160469e-01 -8.181160469e-01 4.00 -7.791199299e-01 -7.791199299e-01 4.02 -7.420358664e-01 -7.420358664e-01 4.04 -7.068245643e-01 -7.068245643e-01 4.06 -6.734337149e-01 -6.734337149e-01 4.08 -6.418021767e-01 -6.418021767e-01 4.10 -6.118631932e-01 -6.118631932e-01 4.12 -5.835480348e-01 -5.835480348e-01 4.14 -5.567857888e-01 -5.567857888e-01 4.16 -5.315052394e-01 -5.315052394e-01 4.18 -5.076345251e-01 -5.076345251e-01 4.20 -4.851007686e-01 -4.851007686e-01 4.22 -4.638296448e-01 -4.638296448e-01 4.24 -4.437451226e-01 -4.437451226e-01 4.26 -4.247695190e-01 -4.247695190e-01 4.28 -4.068238993e-01 -4.068238993e-01 4.30 -3.898287721e-01 -3.898287721e-01 4.32 -3.737049725e-01 -3.737049725e-01 4.34 -3.583746128e-01 -3.583746128e-01 4.36 -3.437619908e-01 -3.437619908e-01 4.38 -3.297943797e-01 -3.297943797e-01 4.40 -3.164026606e-01 -3.164026606e-01 4.42 -3.035217935e-01 -3.035217935e-01 4.44 -2.910911504e-01 -2.910911504e-01 4.46 -2.790547491e-01 -2.790547491e-01 4.48 -2.673614355e-01 -2.673614355e-01 4.50 -2.559650596e-01 -2.559650596e-01 4.52 -2.448246826e-01 -2.448246826e-01 4.54 -2.339048436e-01 -2.339048436e-01 4.56 -2.231758951e-01 -2.231758951e-01 4.58 -2.126144015e-01 -2.126144015e-01 4.60 -2.022035736e-01 -2.022035736e-01 4.62 -1.919336907e-01 -1.919336907e-01 4.64 -1.818024457e-01 -1.818024457e-01 4.66 -1.718151304e-01 -1.718151304e-01 4.68 -1.619845762e-01 -1.619845762e-01 4.70 -1.523307667e-01 -1.523307667e-01 4.72 -1.428800633e-01 -1.428800633e-01 4.74 -1.336640181e-01 -1.336640181e-01 4.76 -1.247177942e-01 -1.247177942e-01 4.78 -1.160782762e-01 -1.160782762e-01 4.80 -1.077817975e-01 -1.077817975e-01 4.82 -9.986287487e-02 -9.986287487e-02 4.84 -9.235097888e-02 -9.235097888e-02 4.86 -8.526984280e-02 -8.526984280e-02 4.88 -7.863608000e-02 -7.863608000e-02 4.90 -7.245857200e-02 -7.245857200e-02 4.92 -6.673839548e-02 -6.673839548e-02 4.94 -6.146924150e-02 -6.146924150e-02 4.96 -5.663819958e-02 -5.663819958e-02 4.98 -5.222684123e-02 -5.222684123e-02 5.00 -4.821244437e-02 -4.821244437e-02 5.02 -4.456923700e-02 -4.456923700e-02 5.04 -4.126895483e-02 -4.126895483e-02 5.06 -3.828290996e-02 -3.828290996e-02 5.08 -3.558339498e-02 -3.558339498e-02 5.10 -3.314310665e-02 -3.314310665e-02 5.12 -3.093580315e-02 -3.093580315e-02 5.14 -2.893671697e-02 -2.893671697e-02 5.16 -2.712284532e-02 -2.712284532e-02 5.18 -2.547327507e-02 -2.547327507e-02 5.20 -2.396906563e-02 -2.396906563e-02 5.22 -2.259321995e-02 -2.259321995e-02 5.24 -2.133061173e-02 -2.133061173e-02 5.26 -2.016787898e-02 -2.016787898e-02 5.28 -1.909329876e-02 -1.909329876e-02 5.30 -1.809665344e-02 -1.809665344e-02 5.32 -1.716909566e-02 -1.716909566e-02 5.34 -1.630301577e-02 -1.630301577e-02 5.36 -1.549190001e-02 -1.549190001e-02 5.38 -1.473023055e-02 -1.473023055e-02 5.40 -1.401337012e-02 -1.401337012e-02 5.42 -1.333743761e-02 -1.333743761e-02 5.44 -1.269919838e-02 -1.269919838e-02 5.46 -1.209595834e-02 -1.209595834e-02 5.48 -1.152546239e-02 -1.152546239e-02 5.50 -1.098579886e-02 -1.098579886e-02 5.52 -1.047531200e-02 -1.047531200e-02 5.54 -9.992524853e-03 -9.992524853e-03 5.56 -9.536074463e-03 -9.536074463e-03 5.58 -9.104660995e-03 -9.104660995e-03 5.60 -8.697011065e-03 -8.697011065e-03 5.62 -8.311854743e-03 -8.311854743e-03 5.64 -7.947914633e-03 -7.947914633e-03 5.66 -7.603904711e-03 -7.603904711e-03 5.68 -7.278536272e-03 -7.278536272e-03 5.70 -6.970528292e-03 -6.970528292e-03 5.72 -6.678619810e-03 -6.678619810e-03 5.74 -6.401582404e-03 -6.401582404e-03 5.76 -6.138231378e-03 -6.138231378e-03 5.78 -5.887434852e-03 -5.887434852e-03 5.80 -5.648120370e-03 -5.648120370e-03 5.82 -5.419279070e-03 -5.419279070e-03 5.84 -5.199967635e-03 -5.199967635e-03 5.86 -4.989308469e-03 -4.989308469e-03 5.88 -4.786488533e-03 -4.786488533e-03 5.90 -4.590757340e-03 -4.590757340e-03 5.92 -4.401424540e-03 -4.401424540e-03 5.94 -4.217857472e-03 -4.217857472e-03 5.96 -4.039479010e-03 -4.039479010e-03 5.98 -3.865765927e-03 -3.865765927e-03 6.00 -3.696247974e-03 -3.696247974e-03