# 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 = AuMo2Ta # 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 3.671051385e+02 3.671051385e+02 1.30 3.406373953e+02 3.406373953e+02 1.32 3.161037777e+02 3.161037777e+02 1.34 2.933396759e+02 2.933396759e+02 1.36 2.721999167e+02 2.721999167e+02 1.38 2.525564651e+02 2.525564651e+02 1.40 2.342954142e+02 2.342954142e+02 1.42 2.173139507e+02 2.173139507e+02 1.44 2.015181829e+02 2.015181829e+02 1.46 1.868220220e+02 1.868220220e+02 1.48 1.731465679e+02 1.731465679e+02 1.50 1.604194088e+02 1.604194088e+02 1.52 1.485737059e+02 1.485737059e+02 1.54 1.375473632e+02 1.375473632e+02 1.56 1.272825518e+02 1.272825518e+02 1.58 1.177254920e+02 1.177254920e+02 1.60 1.088261830e+02 1.088261830e+02 1.62 1.005379194e+02 1.005379194e+02 1.64 9.281672489e+01 9.281672489e+01 1.66 8.562096765e+01 8.562096765e+01 1.68 7.891133745e+01 7.891133745e+01 1.70 7.265116051e+01 7.265116051e+01 1.72 6.680686007e+01 6.680686007e+01 1.74 6.134832443e+01 6.134832443e+01 1.76 5.624900639e+01 5.624900639e+01 1.78 5.148568250e+01 5.148568250e+01 1.80 4.703791398e+01 4.703791398e+01 1.82 4.288735223e+01 4.288735223e+01 1.84 3.901706951e+01 3.901706951e+01 1.86 3.541344860e+01 3.541344860e+01 1.88 3.206563761e+01 3.206563761e+01 1.90 2.897065271e+01 2.897065271e+01 1.92 2.611615775e+01 2.611615775e+01 1.94 2.348498090e+01 2.348498090e+01 1.96 2.106050764e+01 2.106050764e+01 1.98 1.882671542e+01 1.882671542e+01 2.00 1.676826698e+01 1.676826698e+01 2.02 1.487065007e+01 1.487065007e+01 2.04 1.312031572e+01 1.312031572e+01 2.06 1.150476859e+01 1.150476859e+01 2.08 1.001259109e+01 1.001259109e+01 2.10 8.633415900e+00 8.633415900e+00 2.12 7.357876442e+00 7.357876442e+00 2.14 6.177557497e+00 6.177557497e+00 2.16 5.084949106e+00 5.084949106e+00 2.18 4.073392621e+00 4.073392621e+00 2.20 3.137006397e+00 3.137006397e+00 2.22 2.270587341e+00 2.270587341e+00 2.24 1.469495043e+00 1.469495043e+00 2.26 7.295313558e-01 7.295313558e-01 2.28 4.682905241e-02 4.682905241e-02 2.30 -5.822394613e-01 -5.822394613e-01 2.32 -1.161126454e+00 -1.161126454e+00 2.34 -1.693143738e+00 -1.693143738e+00 2.36 -2.181470346e+00 -2.181470346e+00 2.38 -2.629139623e+00 -2.629139623e+00 2.40 -3.039015406e+00 -3.039015406e+00 2.42 -3.413767658e+00 -3.413767658e+00 2.44 -3.755855764e+00 -3.755855764e+00 2.46 -4.067523676e+00 -4.067523676e+00 2.48 -4.350806838e+00 -4.350806838e+00 2.50 -4.607547889e+00 -4.607547889e+00 2.52 -4.839417256e+00 -4.839417256e+00 2.54 -5.047935338e+00 -5.047935338e+00 2.56 -5.234421044e+00 -5.234421044e+00 2.58 -5.400155560e+00 -5.400155560e+00 2.60 -5.546422791e+00 -5.546422791e+00 2.62 -5.674403647e+00 -5.674403647e+00 2.64 -5.785188578e+00 -5.785188578e+00 2.66 -5.879787276e+00 -5.879787276e+00 2.68 -5.959137932e+00 -5.959137932e+00 2.70 -6.023948546e+00 -6.023948546e+00 2.72 -6.074970734e+00 -6.074970734e+00 2.74 -6.113105702e+00 -6.113105702e+00 2.76 -6.139156102e+00 -6.139156102e+00 2.78 -6.153914254e+00 -6.153914254e+00 2.80 -6.158164564e+00 -6.158164564e+00 2.82 -6.152683594e+00 -6.152683594e+00 2.84 -6.138238900e+00 -6.138238900e+00 2.86 -6.115408115e+00 -6.115408115e+00 2.88 -6.084326337e+00 -6.084326337e+00 2.90 -6.045130926e+00 -6.045130926e+00 2.92 -5.998038648e+00 -5.998038648e+00 2.94 -5.943340208e+00 -5.943340208e+00 2.96 -5.881407467e+00 -5.881407467e+00 2.98 -5.812725747e+00 -5.812725747e+00 3.00 -5.737679336e+00 -5.737679336e+00 3.02 -5.656659793e+00 -5.656659793e+00 3.04 -5.570069494e+00 -5.570069494e+00 3.06 -5.478297737e+00 -5.478297737e+00 3.08 -5.381699609e+00 -5.381699609e+00 3.10 -5.280579871e+00 -5.280579871e+00 3.12 -5.175176784e+00 -5.175176784e+00 3.14 -5.065655589e+00 -5.065655589e+00 3.16 -4.952125473e+00 -4.952125473e+00 3.18 -4.834652822e+00 -4.834652822e+00 3.20 -4.713278442e+00 -4.713278442e+00 3.22 -4.588038533e+00 -4.588038533e+00 3.24 -4.458987792e+00 -4.458987792e+00 3.26 -4.326222955e+00 -4.326222955e+00 3.28 -4.189905099e+00 -4.189905099e+00 3.30 -4.050278953e+00 -4.050278953e+00 3.32 -3.907687497e+00 -3.907687497e+00 3.34 -3.762580237e+00 -3.762580237e+00 3.36 -3.615513867e+00 -3.615513867e+00 3.38 -3.467144528e+00 -3.467144528e+00 3.40 -3.318211549e+00 -3.318211549e+00 3.42 -3.169513405e+00 -3.169513405e+00 3.44 -3.021877465e+00 -3.021877465e+00 3.46 -2.876125869e+00 -2.876125869e+00 3.48 -2.733040481e+00 -2.733040481e+00 3.50 -2.593330090e+00 -2.593330090e+00 3.52 -2.457602862e+00 -2.457602862e+00 3.54 -2.326346484e+00 -2.326346484e+00 3.56 -2.199917523e+00 -2.199917523e+00 3.58 -2.078540402e+00 -2.078540402e+00 3.60 -1.962315363e+00 -1.962315363e+00 3.62 -1.851233854e+00 -1.851233854e+00 3.64 -1.745199232e+00 -1.745199232e+00 3.66 -1.644050408e+00 -1.644050408e+00 3.68 -1.547586106e+00 -1.547586106e+00 3.70 -1.455587722e+00 -1.455587722e+00 3.72 -1.367839130e+00 -1.367839130e+00 3.74 -1.284142312e+00 -1.284142312e+00 3.76 -1.204328110e+00 -1.204328110e+00 3.78 -1.128261929e+00 -1.128261929e+00 3.80 -1.055844568e+00 -1.055844568e+00 3.82 -9.870088074e-01 -9.870088074e-01 3.84 -9.217126507e-01 -9.217126507e-01 3.86 -8.599303333e-01 -8.599303333e-01 3.88 -8.016423418e-01 -8.016423418e-01 3.90 -7.468256239e-01 -7.468256239e-01 3.92 -6.954450220e-01 -6.954450220e-01 3.94 -6.474466917e-01 -6.474466917e-01 3.96 -6.027539310e-01 -6.027539310e-01 3.98 -5.612655252e-01 -5.612655252e-01 4.00 -5.228564044e-01 -5.228564044e-01 4.02 -4.873802020e-01 -4.873802020e-01 4.04 -4.546731909e-01 -4.546731909e-01 4.06 -4.245590331e-01 -4.245590331e-01 4.08 -3.968536706e-01 -3.968536706e-01 4.10 -3.713705256e-01 -3.713705256e-01 4.12 -3.479251338e-01 -3.479251338e-01 4.14 -3.263386621e-01 -3.263386621e-01 4.16 -3.064410986e-01 -3.064410986e-01 4.18 -2.880736527e-01 -2.880736527e-01 4.20 -2.710903943e-01 -2.710903943e-01 4.22 -2.553591835e-01 -2.553591835e-01 4.24 -2.407619537e-01 -2.407619537e-01 4.26 -2.271944192e-01 -2.271944192e-01 4.28 -2.145652884e-01 -2.145652884e-01 4.30 -2.027950729e-01 -2.027950729e-01 4.32 -1.918145989e-01 -1.918145989e-01 4.34 -1.815633406e-01 -1.815633406e-01 4.36 -1.719877162e-01 -1.719877162e-01 4.38 -1.630394649e-01 -1.630394649e-01 4.40 -1.546742240e-01 -1.546742240e-01 4.42 -1.468503729e-01 -1.468503729e-01 4.44 -1.395281903e-01 -1.395281903e-01 4.46 -1.326693288e-01 -1.326693288e-01 4.48 -1.262364661e-01 -1.262364661e-01 4.50 -1.201933114e-01 -1.201933114e-01 4.52 -1.145050966e-01 -1.145050966e-01 4.54 -1.091383531e-01 -1.091383531e-01 4.56 -1.040611275e-01 -1.040611275e-01 4.58 -9.924319641e-02 -9.924319641e-02 4.60 -9.465623482e-02 -9.465623482e-02 4.62 -9.027393348e-02 -9.027393348e-02 4.64 -8.607206979e-02 -8.607206979e-02 4.66 -8.202854336e-02 -8.202854336e-02 4.68 -7.812339040e-02 -7.812339040e-02 4.70 -7.433879069e-02 -7.433879069e-02 4.72 -7.065907882e-02 -7.065907882e-02 4.74 -6.707076772e-02 -6.707076772e-02 4.76 -6.356258821e-02 -6.356258821e-02 4.78 -6.012554301e-02 -6.012554301e-02 4.80 -5.675296798e-02 -5.675296798e-02 4.82 -5.344059215e-02 -5.344059215e-02 4.84 -5.018657062e-02 -5.018657062e-02 4.86 -4.699148440e-02 -4.699148440e-02 4.88 -4.385827756e-02 -4.385827756e-02 4.90 -4.079210893e-02 -4.079210893e-02 4.92 -3.780010969e-02 -3.780010969e-02 4.94 -3.489103736e-02 -3.489103736e-02 4.96 -3.207483185e-02 -3.207483185e-02 4.98 -2.936208073e-02 -2.936208073e-02 5.00 -2.676343919e-02 -2.676343919e-02 5.02 -2.428903675e-02 -2.428903675e-02 5.04 -2.194791002e-02 -2.194791002e-02 5.06 -1.974750925e-02 -1.974750925e-02 5.08 -1.769331605e-02 -1.769331605e-02 5.10 -1.578838573e-02 -1.578838573e-02 5.12 -1.403353229e-02 -1.403353229e-02 5.14 -1.242766283e-02 -1.242766283e-02 5.16 -1.096750751e-02 -1.096750751e-02 5.18 -9.647896099e-03 -9.647896099e-03 5.20 -8.462100561e-03 -8.462100561e-03 5.22 -7.402206238e-03 -7.402206238e-03 5.24 -6.459481953e-03 -6.459481953e-03 5.26 -5.624725520e-03 -5.624725520e-03 5.28 -4.888568534e-03 -4.888568534e-03 5.30 -4.241731279e-03 -4.241731279e-03 5.32 -3.675224659e-03 -3.675224659e-03 5.34 -3.180500637e-03 -3.180500637e-03 5.36 -2.749555813e-03 -2.749555813e-03 5.38 -2.374994606e-03 -2.374994606e-03 5.40 -2.050059201e-03 -2.050059201e-03 5.42 -1.768633402e-03 -1.768633402e-03 5.44 -1.525226969e-03 -1.525226969e-03 5.46 -1.314946136e-03 -1.314946136e-03 5.48 -1.133455102e-03 -1.133455102e-03 5.50 -9.769322802e-04 -9.769322802e-04 5.52 -8.420242480e-04 -8.420242480e-04 5.54 -7.257995499e-04 -7.257995499e-04 5.56 -6.257038915e-04 -6.257038915e-04 5.58 -5.395177340e-04 -5.395177340e-04 5.60 -4.653169111e-04 -4.653169111e-04 5.62 -4.014365899e-04 -4.014365899e-04 5.64 -3.464386781e-04 -3.464386781e-04 5.66 -2.990826292e-04 -2.990826292e-04 5.68 -2.582994973e-04 -2.582994973e-04 5.70 -2.231690271e-04 -2.231690271e-04 5.72 -1.928995360e-04 -1.928995360e-04 5.74 -1.668103233e-04 -1.668103233e-04 5.76 -1.443163507e-04 -1.443163507e-04 5.78 -1.249149394e-04 -1.249149394e-04 5.80 -1.081742511e-04 -1.081742511e-04 5.82 -9.372333334e-05 -9.372333334e-05 5.84 -8.124353418e-05 -8.124353418e-05 5.86 -7.046110712e-05 -7.046110712e-05 5.88 -6.114085035e-05 -6.114085035e-05 5.90 -5.308064037e-05 -5.308064037e-05 5.92 -4.610673801e-05 -4.610673801e-05 5.94 -4.006976031e-05 -4.006976031e-05 5.96 -3.484122518e-05 -3.484122518e-05 5.98 -3.031058856e-05 -3.031058856e-05 6.00 -2.638270431e-05 -2.638270431e-05