# 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 = Cu2MgMo # 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 2.133012750e+02 2.133012750e+02 1.30 1.968050828e+02 1.968050828e+02 1.32 1.815997254e+02 1.815997254e+02 1.34 1.675751503e+02 1.675751503e+02 1.36 1.546284619e+02 1.546284619e+02 1.38 1.426648229e+02 1.426648229e+02 1.40 1.315986533e+02 1.315986533e+02 1.42 1.213544237e+02 1.213544237e+02 1.44 1.118660985e+02 1.118660985e+02 1.46 1.030753528e+02 1.030753528e+02 1.48 9.492958386e+01 9.492958386e+01 1.50 8.738062662e+01 8.738062662e+01 1.52 8.038432251e+01 8.038432251e+01 1.54 7.390039282e+01 7.390039282e+01 1.56 6.789211376e+01 6.789211376e+01 1.58 6.232586152e+01 6.232586152e+01 1.60 5.717214767e+01 5.717214767e+01 1.62 5.240463761e+01 5.240463761e+01 1.64 4.799745914e+01 4.799745914e+01 1.66 4.392660266e+01 4.392660266e+01 1.68 4.016957861e+01 4.016957861e+01 1.70 3.670482745e+01 3.670482745e+01 1.72 3.351109105e+01 3.351109105e+01 1.74 3.056721342e+01 3.056721342e+01 1.76 2.785228943e+01 2.785228943e+01 1.78 2.534610478e+01 2.534610478e+01 1.80 2.302971967e+01 2.302971967e+01 1.82 2.088601353e+01 2.088601353e+01 1.84 1.890001858e+01 1.890001858e+01 1.86 1.705896864e+01 1.705896864e+01 1.88 1.535207988e+01 1.535207988e+01 1.90 1.377016849e+01 1.377016849e+01 1.92 1.230522583e+01 1.230522583e+01 1.94 1.095005415e+01 1.095005415e+01 1.96 9.698008257e+00 9.698008257e+00 1.98 8.542837636e+00 8.542837636e+00 2.00 7.478586091e+00 7.478586091e+00 2.02 6.499512316e+00 6.499512316e+00 2.04 5.600021767e+00 5.600021767e+00 2.06 4.774618996e+00 4.774618996e+00 2.08 4.017894191e+00 4.017894191e+00 2.10 3.324552173e+00 3.324552173e+00 2.12 2.689478582e+00 2.689478582e+00 2.14 2.107824891e+00 2.107824891e+00 2.16 1.575087978e+00 1.575087978e+00 2.18 1.087159827e+00 1.087159827e+00 2.20 6.403380942e-01 6.403380942e-01 2.22 2.312988046e-01 2.312988046e-01 2.24 -1.429544712e-01 -1.429544712e-01 2.26 -4.850809463e-01 -4.850809463e-01 2.28 -7.975005184e-01 -7.975005184e-01 2.30 -1.082828686e+00 -1.082828686e+00 2.32 -1.343502904e+00 -1.343502904e+00 2.34 -1.581760453e+00 -1.581760453e+00 2.36 -1.799618545e+00 -1.799618545e+00 2.38 -1.998845569e+00 -1.998845569e+00 2.40 -2.180878677e+00 -2.180878677e+00 2.42 -2.346712501e+00 -2.346712501e+00 2.44 -2.497200596e+00 -2.497200596e+00 2.46 -2.633140046e+00 -2.633140046e+00 2.48 -2.755289452e+00 -2.755289452e+00 2.50 -2.864381284e+00 -2.864381284e+00 2.52 -2.961127045e+00 -2.961127045e+00 2.54 -3.046217557e+00 -3.046217557e+00 2.56 -3.120321695e+00 -3.120321695e+00 2.58 -3.184086237e+00 -3.184086237e+00 2.60 -3.238138296e+00 -3.238138296e+00 2.62 -3.283104185e+00 -3.283104185e+00 2.64 -3.319985258e+00 -3.319985258e+00 2.66 -3.349221206e+00 -3.349221206e+00 2.68 -3.371011690e+00 -3.371011690e+00 2.70 -3.385632800e+00 -3.385632800e+00 2.72 -3.393422742e+00 -3.393422742e+00 2.74 -3.394762909e+00 -3.394762909e+00 2.76 -3.390055791e+00 -3.390055791e+00 2.78 -3.379702903e+00 -3.379702903e+00 2.80 -3.364104424e+00 -3.364104424e+00 2.82 -3.343670049e+00 -3.343670049e+00 2.84 -3.318773535e+00 -3.318773535e+00 2.86 -3.289751076e+00 -3.289751076e+00 2.88 -3.256912352e+00 -3.256912352e+00 2.90 -3.220551615e+00 -3.220551615e+00 2.92 -3.180956370e+00 -3.180956370e+00 2.94 -3.138412336e+00 -3.138412336e+00 2.96 -3.093204419e+00 -3.093204419e+00 2.98 -3.045614187e+00 -3.045614187e+00 3.00 -2.995914793e+00 -2.995914793e+00 3.02 -2.944364526e+00 -2.944364526e+00 3.04 -2.891223496e+00 -2.891223496e+00 3.06 -2.836697625e+00 -2.836697625e+00 3.08 -2.780900935e+00 -2.780900935e+00 3.10 -2.723939588e+00 -2.723939588e+00 3.12 -2.665906665e+00 -2.665906665e+00 3.14 -2.606871564e+00 -2.606871564e+00 3.16 -2.546817981e+00 -2.546817981e+00 3.18 -2.485707520e+00 -2.485707520e+00 3.20 -2.423527705e+00 -2.423527705e+00 3.22 -2.360284950e+00 -2.360284950e+00 3.24 -2.296002069e+00 -2.296002069e+00 3.26 -2.230720012e+00 -2.230720012e+00 3.28 -2.164502482e+00 -2.164502482e+00 3.30 -2.097441852e+00 -2.097441852e+00 3.32 -2.029664875e+00 -2.029664875e+00 3.34 -1.961336826e+00 -1.961336826e+00 3.36 -1.892663075e+00 -1.892663075e+00 3.38 -1.823887446e+00 -1.823887446e+00 3.40 -1.755287047e+00 -1.755287047e+00 3.42 -1.687164034e+00 -1.687164034e+00 3.44 -1.619834029e+00 -1.619834029e+00 3.46 -1.553613216e+00 -1.553613216e+00 3.48 -1.488804429e+00 -1.488804429e+00 3.50 -1.425683910e+00 -1.425683910e+00 3.52 -1.364489932e+00 -1.364489932e+00 3.54 -1.305414296e+00 -1.305414296e+00 3.56 -1.248597298e+00 -1.248597298e+00 3.58 -1.194126359e+00 -1.194126359e+00 3.60 -1.142038068e+00 -1.142038068e+00 3.62 -1.092323082e+00 -1.092323082e+00 3.64 -1.044933146e+00 -1.044933146e+00 3.66 -9.997894397e-01 -9.997894397e-01 3.68 -9.567914777e-01 -9.567914777e-01 3.70 -9.158259121e-01 -9.158259121e-01 3.72 -8.767746854e-01 -8.767746854e-01 3.74 -8.395220999e-01 -8.395220999e-01 3.76 -8.039604586e-01 -8.039604586e-01 3.78 -7.699940160e-01 -7.699940160e-01 3.80 -7.375410735e-01 -7.375410735e-01 3.82 -7.065341759e-01 -7.065341759e-01 3.84 -6.769185392e-01 -6.769185392e-01 3.86 -6.486490312e-01 -6.486490312e-01 3.88 -6.216862196e-01 -6.216862196e-01 3.90 -5.959921222e-01 -5.959921222e-01 3.92 -5.715261818e-01 -5.715261818e-01 3.94 -5.482428037e-01 -5.482428037e-01 3.96 -5.260887171e-01 -5.260887171e-01 3.98 -5.050030897e-01 -5.050030897e-01 4.00 -4.849180042e-01 -4.849180042e-01 4.02 -4.657599138e-01 -4.657599138e-01 4.04 -4.474515466e-01 -4.474515466e-01 4.06 -4.299139251e-01 -4.299139251e-01 4.08 -4.130682504e-01 -4.130682504e-01 4.10 -3.968372361e-01 -3.968372361e-01 4.12 -3.811475542e-01 -3.811475542e-01 4.14 -3.659290042e-01 -3.659290042e-01 4.16 -3.511165905e-01 -3.511165905e-01 4.18 -3.366508386e-01 -3.366508386e-01 4.20 -3.224784239e-01 -3.224784239e-01 4.22 -3.085528426e-01 -3.085528426e-01 4.24 -2.948351693e-01 -2.948351693e-01 4.26 -2.812949088e-01 -2.812949088e-01 4.28 -2.679109097e-01 -2.679109097e-01 4.30 -2.546722613e-01 -2.546722613e-01 4.32 -2.415790537e-01 -2.415790537e-01 4.34 -2.286428473e-01 -2.286428473e-01 4.36 -2.158866817e-01 -2.158866817e-01 4.38 -2.033444668e-01 -2.033444668e-01 4.40 -1.910596413e-01 -1.910596413e-01 4.42 -1.790830660e-01 -1.790830660e-01 4.44 -1.674702230e-01 -1.674702230e-01 4.46 -1.562779072e-01 -1.562779072e-01 4.48 -1.455606963e-01 -1.455606963e-01 4.50 -1.353675422e-01 -1.353675422e-01 4.52 -1.257388296e-01 -1.257388296e-01 4.54 -1.167041861e-01 -1.167041861e-01 4.56 -1.082812199e-01 -1.082812199e-01 4.58 -1.004752308e-01 -1.004752308e-01 4.60 -9.327981216e-02 -9.327981216e-02 4.62 -8.667816965e-02 -8.667816965e-02 4.64 -8.064490967e-02 -8.064490967e-02 4.66 -7.514806032e-02 -7.514806032e-02 4.68 -7.015115013e-02 -7.015115013e-02 4.70 -6.561511672e-02 -6.561511672e-02 4.72 -6.149908148e-02 -6.149908148e-02 4.74 -5.776357589e-02 -5.776357589e-02 4.76 -5.437122975e-02 -5.437122975e-02 4.78 -5.128640163e-02 -5.128640163e-02 4.80 -4.847562653e-02 -4.847562653e-02 4.82 -4.590883716e-02 -4.590883716e-02 4.84 -4.355815369e-02 -4.355815369e-02 4.86 -4.139882018e-02 -4.139882018e-02 4.88 -3.940883715e-02 -3.940883715e-02 4.90 -3.756877980e-02 -3.756877980e-02 4.92 -3.586158051e-02 -3.586158051e-02 4.94 -3.427225626e-02 -3.427225626e-02 4.96 -3.278773952e-02 -3.278773952e-02 4.98 -3.139667550e-02 -3.139667550e-02 5.00 -3.008916367e-02 -3.008916367e-02 5.02 -2.885657103e-02 -2.885657103e-02 5.04 -2.769136400e-02 -2.769136400e-02 5.06 -2.658695931e-02 -2.658695931e-02 5.08 -2.553759336e-02 -2.553759336e-02 5.10 -2.453820886e-02 -2.453820886e-02 5.12 -2.358435757e-02 -2.358435757e-02 5.14 -2.267211777e-02 -2.267211777e-02 5.16 -2.179802481e-02 -2.179802481e-02 5.18 -2.095901375e-02 -2.095901375e-02 5.20 -2.015237245e-02 -2.015237245e-02 5.22 -1.937570418e-02 -1.937570418e-02 5.24 -1.862689827e-02 -1.862689827e-02 5.26 -1.790410775e-02 -1.790410775e-02 5.28 -1.720573255e-02 -1.720573255e-02 5.30 -1.653040684e-02 -1.653040684e-02 5.32 -1.587698889e-02 -1.587698889e-02 5.34 -1.524455130e-02 -1.524455130e-02 5.36 -1.463234824e-02 -1.463234824e-02 5.38 -1.403984005e-02 -1.403984005e-02 5.40 -1.346667544e-02 -1.346667544e-02 5.42 -1.291265285e-02 -1.291265285e-02 5.44 -1.237769161e-02 -1.237769161e-02 5.46 -1.186179775e-02 -1.186179775e-02 5.48 -1.136502562e-02 -1.136502562e-02 5.50 -1.088743771e-02 -1.088743771e-02 5.52 -1.042906532e-02 -1.042906532e-02 5.54 -9.989873207e-03 -9.989873207e-03 5.56 -9.569730833e-03 -9.569730833e-03 5.58 -9.168392400e-03 -9.168392400e-03 5.60 -8.785486591e-03 -8.785486591e-03 5.62 -8.420516060e-03 -8.420516060e-03 5.64 -8.072865574e-03 -8.072865574e-03 5.66 -7.741816997e-03 -7.741816997e-03 5.68 -7.426568880e-03 -7.426568880e-03 5.70 -7.126258378e-03 -7.126258378e-03 5.72 -6.839983415e-03 -6.839983415e-03 5.74 -6.566823468e-03 -6.566823468e-03 5.76 -6.305857850e-03 -6.305857850e-03 5.78 -6.056180844e-03 -6.056180844e-03 5.80 -5.816913525e-03 -5.816913525e-03 5.82 -5.587212395e-03 -5.587212395e-03 5.84 -5.366275209e-03 -5.366275209e-03 5.86 -5.153344497e-03 -5.153344497e-03 5.88 -4.947709313e-03 -4.947709313e-03 5.90 -4.748705763e-03 -4.748705763e-03 5.92 -4.555716802e-03 -4.555716802e-03 5.94 -4.368171727e-03 -4.368171727e-03 5.96 -4.185545733e-03 -4.185545733e-03 5.98 -4.007359790e-03 -4.007359790e-03 6.00 -3.833181060e-03 -3.833181060e-03