# 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 = Ag2MoPt # 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 3.223615694e+02 3.223615694e+02 1.30 2.992868086e+02 2.992868086e+02 1.32 2.778215951e+02 2.778215951e+02 1.34 2.578684747e+02 2.578684747e+02 1.36 2.393408731e+02 2.393408731e+02 1.38 2.221498336e+02 2.221498336e+02 1.40 2.061978101e+02 2.061978101e+02 1.42 1.913818095e+02 1.913818095e+02 1.44 1.776013146e+02 1.776013146e+02 1.46 1.647654330e+02 1.647654330e+02 1.48 1.527961210e+02 1.527961210e+02 1.50 1.416270472e+02 1.416270472e+02 1.52 1.311999091e+02 1.311999091e+02 1.54 1.214609026e+02 1.214609026e+02 1.56 1.123589955e+02 1.123589955e+02 1.58 1.038458269e+02 1.038458269e+02 1.60 9.587622107e+01 9.587622107e+01 1.62 8.840871360e+01 8.840871360e+01 1.64 8.140606937e+01 8.140606937e+01 1.66 7.483583542e+01 7.483583542e+01 1.68 6.867069122e+01 6.867069122e+01 1.70 6.288820287e+01 6.288820287e+01 1.72 5.747082091e+01 5.747082091e+01 1.74 5.243115951e+01 5.243115951e+01 1.76 4.779455862e+01 4.779455862e+01 1.78 4.353368612e+01 4.353368612e+01 1.80 3.961802672e+01 3.961802672e+01 1.82 3.601788078e+01 3.601788078e+01 1.84 3.270546345e+01 3.270546345e+01 1.86 2.965547930e+01 2.965547930e+01 1.88 2.684520860e+01 2.684520860e+01 1.90 2.425432987e+01 2.425432987e+01 1.92 2.186468035e+01 2.186468035e+01 1.94 1.966004405e+01 1.966004405e+01 1.96 1.762596296e+01 1.762596296e+01 1.98 1.574953138e+01 1.574953138e+01 2.00 1.401914751e+01 1.401914751e+01 2.02 1.242423682e+01 1.242423682e+01 2.04 1.095499639e+01 1.095499639e+01 2.06 9.602207705e+00 9.602207705e+00 2.08 8.357132558e+00 8.357132558e+00 2.10 7.211476132e+00 7.211476132e+00 2.12 6.157393611e+00 6.157393611e+00 2.14 5.187523996e+00 5.187523996e+00 2.16 4.295039567e+00 4.295039567e+00 2.18 3.473696090e+00 3.473696090e+00 2.20 2.717865117e+00 2.717865117e+00 2.22 2.022533825e+00 2.022533825e+00 2.24 1.383269129e+00 1.383269129e+00 2.26 7.961538984e-01 7.961538984e-01 2.28 2.577082758e-01 2.577082758e-01 2.30 -2.351919222e-01 -2.351919222e-01 2.32 -6.853920418e-01 -6.853920418e-01 2.34 -1.095526695e+00 -1.095526695e+00 2.36 -1.468077272e+00 -1.468077272e+00 2.38 -1.805417224e+00 -1.805417224e+00 2.40 -2.109843426e+00 -2.109843426e+00 2.42 -2.383592635e+00 -2.383592635e+00 2.44 -2.628844179e+00 -2.628844179e+00 2.46 -2.847683993e+00 -2.847683993e+00 2.48 -3.043207320e+00 -3.043207320e+00 2.50 -3.217744632e+00 -3.217744632e+00 2.52 -3.372898221e+00 -3.372898221e+00 2.54 -3.510209056e+00 -3.510209056e+00 2.56 -3.631139562e+00 -3.631139562e+00 2.58 -3.737052298e+00 -3.737052298e+00 2.60 -3.829188500e+00 -3.829188500e+00 2.62 -3.908642750e+00 -3.908642750e+00 2.64 -3.976240470e+00 -3.976240470e+00 2.66 -4.032609699e+00 -4.032609699e+00 2.68 -4.078295263e+00 -4.078295263e+00 2.70 -4.113769432e+00 -4.113769432e+00 2.72 -4.139444368e+00 -4.139444368e+00 2.74 -4.155686975e+00 -4.155686975e+00 2.76 -4.162834084e+00 -4.162834084e+00 2.78 -4.161206486e+00 -4.161206486e+00 2.80 -4.151121488e+00 -4.151121488e+00 2.82 -4.132904651e+00 -4.132904651e+00 2.84 -4.106902077e+00 -4.106902077e+00 2.86 -4.073494262e+00 -4.073494262e+00 2.88 -4.033111720e+00 -4.033111720e+00 2.90 -3.986251041e+00 -3.986251041e+00 2.92 -3.933488407e+00 -3.933488407e+00 2.94 -3.875486282e+00 -3.875486282e+00 2.96 -3.812988780e+00 -3.812988780e+00 2.98 -3.746802725e+00 -3.746802725e+00 3.00 -3.677792156e+00 -3.677792156e+00 3.02 -3.606943397e+00 -3.606943397e+00 3.04 -3.534904767e+00 -3.534904767e+00 3.06 -3.462192258e+00 -3.462192258e+00 3.08 -3.389222675e+00 -3.389222675e+00 3.10 -3.316359099e+00 -3.316359099e+00 3.12 -3.244048714e+00 -3.244048714e+00 3.14 -3.172561137e+00 -3.172561137e+00 3.16 -3.101968624e+00 -3.101968624e+00 3.18 -3.032212781e+00 -3.032212781e+00 3.20 -2.963167407e+00 -2.963167407e+00 3.22 -2.894666727e+00 -2.894666727e+00 3.24 -2.826533007e+00 -2.826533007e+00 3.26 -2.758599193e+00 -2.758599193e+00 3.28 -2.690724739e+00 -2.690724739e+00 3.30 -2.622806368e+00 -2.622806368e+00 3.32 -2.554785035e+00 -2.554785035e+00 3.34 -2.486649927e+00 -2.486649927e+00 3.36 -2.418439889e+00 -2.418439889e+00 3.38 -2.350242388e+00 -2.350242388e+00 3.40 -2.282189993e+00 -2.282189993e+00 3.42 -2.214454365e+00 -2.214454365e+00 3.44 -2.147237917e+00 -2.147237917e+00 3.46 -2.080763553e+00 -2.080763553e+00 3.48 -2.015263173e+00 -2.015263173e+00 3.50 -1.950965791e+00 -1.950965791e+00 3.52 -1.888086269e+00 -1.888086269e+00 3.54 -1.826815539e+00 -1.826815539e+00 3.56 -1.767313037e+00 -1.767313037e+00 3.58 -1.709701764e+00 -1.709701764e+00 3.60 -1.654066047e+00 -1.654066047e+00 3.62 -1.600451807e+00 -1.600451807e+00 3.64 -1.548868897e+00 -1.548868897e+00 3.66 -1.499294967e+00 -1.499294967e+00 3.68 -1.451680283e+00 -1.451680283e+00 3.70 -1.405952981e+00 -1.405952981e+00 3.72 -1.362024321e+00 -1.362024321e+00 3.74 -1.319793641e+00 -1.319793641e+00 3.76 -1.279152803e+00 -1.279152803e+00 3.78 -1.239990017e+00 -1.239990017e+00 3.80 -1.202193008e+00 -1.202193008e+00 3.82 -1.165651527e+00 -1.165651527e+00 3.84 -1.130259258e+00 -1.130259258e+00 3.86 -1.095915163e+00 -1.095915163e+00 3.88 -1.062524371e+00 -1.062524371e+00 3.90 -1.029998681e+00 -1.029998681e+00 3.92 -9.982568051e-01 -9.982568051e-01 3.94 -9.672244524e-01 -9.672244524e-01 3.96 -9.368343618e-01 -9.368343618e-01 3.98 -9.070264171e-01 -9.070264171e-01 4.00 -8.777479081e-01 -8.777479081e-01 4.02 -8.489540087e-01 -8.489540087e-01 4.04 -8.206084863e-01 -8.206084863e-01 4.06 -7.926846026e-01 -7.926846026e-01 4.08 -7.651661103e-01 -7.651661103e-01 4.10 -7.380481791e-01 -7.380481791e-01 4.12 -7.113380767e-01 -7.113380767e-01 4.14 -6.850553013e-01 -6.850553013e-01 4.16 -6.592310598e-01 -6.592310598e-01 4.18 -6.339068689e-01 -6.339068689e-01 4.20 -6.091322789e-01 -6.091322789e-01 4.22 -5.849618227e-01 -5.849618227e-01 4.24 -5.614514295e-01 -5.614514295e-01 4.26 -5.386546493e-01 -5.386546493e-01 4.28 -5.166190646e-01 -5.166190646e-01 4.30 -4.953832349e-01 -4.953832349e-01 4.32 -4.749744189e-01 -4.749744189e-01 4.34 -4.554071941e-01 -4.554071941e-01 4.36 -4.366829653e-01 -4.366829653e-01 4.38 -4.187902618e-01 -4.187902618e-01 4.40 -4.017056631e-01 -4.017056631e-01 4.42 -3.853951807e-01 -3.853951807e-01 4.44 -3.698159296e-01 -3.698159296e-01 4.46 -3.549179490e-01 -3.549179490e-01 4.48 -3.406460584e-01 -3.406460584e-01 4.50 -3.269416636e-01 -3.269416636e-01 4.52 -3.137444533e-01 -3.137444533e-01 4.54 -3.009939502e-01 -3.009939502e-01 4.56 -2.886309060e-01 -2.886309060e-01 4.58 -2.765985450e-01 -2.765985450e-01 4.60 -2.648436759e-01 -2.648436759e-01 4.62 -2.533176998e-01 -2.533176998e-01 4.64 -2.419775391e-01 -2.419775391e-01 4.66 -2.307865049e-01 -2.307865049e-01 4.68 -2.197151041e-01 -2.197151041e-01 4.70 -2.087417707e-01 -2.087417707e-01 4.72 -1.978534797e-01 -1.978534797e-01 4.74 -1.870461872e-01 -1.870461872e-01 4.76 -1.763250239e-01 -1.763250239e-01 4.78 -1.657041678e-01 -1.657041678e-01 4.80 -1.552063322e-01 -1.552063322e-01 4.82 -1.448618393e-01 -1.448618393e-01 4.84 -1.347072598e-01 -1.347072598e-01 4.86 -1.247836982e-01 -1.247836982e-01 4.88 -1.151347997e-01 -1.151347997e-01 4.90 -1.058046206e-01 -1.058046206e-01 4.92 -9.683552040e-02 -9.683552040e-02 4.94 -8.826622925e-02 -8.826622925e-02 4.96 -8.013022240e-02 -8.013022240e-02 4.98 -7.245449446e-02 -7.245449446e-02 5.00 -6.525877608e-02 -6.525877608e-02 5.02 -5.855519455e-02 -5.855519455e-02 5.04 -5.234833349e-02 -5.234833349e-02 5.06 -4.663562602e-02 -4.663562602e-02 5.08 -4.140800660e-02 -4.140800660e-02 5.10 -3.665073949e-02 -3.665073949e-02 5.12 -3.234436559e-02 -3.234436559e-02 5.14 -2.846568414e-02 -2.846568414e-02 5.16 -2.498865750e-02 -2.498865750e-02 5.18 -2.188500048e-02 -2.188500048e-02 5.20 -1.912636918e-02 -1.912636918e-02 5.22 -1.668422137e-02 -1.668422137e-02 5.24 -1.452974345e-02 -1.452974345e-02 5.26 -1.263501811e-02 -1.263501811e-02 5.28 -1.097344862e-02 -1.097344862e-02 5.30 -9.520039492e-03 -9.520039492e-03 5.32 -8.251576166e-03 -8.251576166e-03 5.34 -7.146719567e-03 -7.146719567e-03 5.36 -6.186031547e-03 -6.186031547e-03 5.38 -5.351946048e-03 -5.351946048e-03 5.40 -4.628699619e-03 -4.628699619e-03 5.42 -4.002233211e-03 -4.002233211e-03 5.44 -3.460075330e-03 -3.460075330e-03 5.46 -2.991214794e-03 -2.991214794e-03 5.48 -2.585969565e-03 -2.585969565e-03 5.50 -2.235856577e-03 -2.235856577e-03 5.52 -1.933466080e-03 -1.933466080e-03 5.54 -1.672342916e-03 -1.672342916e-03 5.56 -1.446876214e-03 -1.446876214e-03 5.58 -1.252198281e-03 -1.252198281e-03 5.60 -1.084092959e-03 -1.084092959e-03 5.62 -9.389133070e-04 -9.389133070e-04 5.64 -8.135082296e-04 -8.135082296e-04 5.66 -7.051574889e-04 -7.051574889e-04 5.68 -6.115144548e-04 -6.115144548e-04 5.70 -5.305558954e-04 -5.305558954e-04 5.72 -4.605381106e-04 -4.605381106e-04 5.74 -3.999587280e-04 -3.999587280e-04 5.76 -3.475235196e-04 -3.475235196e-04 5.78 -3.021176434e-04 -3.021176434e-04 5.80 -2.627807678e-04 -2.627807678e-04 5.82 -2.286855853e-04 -2.286855853e-04 5.84 -1.991192795e-04 -1.991192795e-04 5.86 -1.734675535e-04 -1.734675535e-04 5.88 -1.512008788e-04 -1.512008788e-04 5.90 -1.318626627e-04 -1.318626627e-04 5.92 -1.150590707e-04 -1.150590707e-04 5.94 -1.004502771e-04 -1.004502771e-04 5.96 -8.774294338e-05 -8.774294338e-05 5.98 -7.668375405e-05 -7.668375405e-05 6.00 -6.705386064e-05 -6.705386064e-05