# 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 = Au2MoNi # 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 2.861719553e+02 2.861719553e+02 1.30 2.649769421e+02 2.649769421e+02 1.32 2.453487399e+02 2.453487399e+02 1.34 2.271620720e+02 2.271620720e+02 1.36 2.103054277e+02 2.103054277e+02 1.38 1.946782322e+02 1.946782322e+02 1.40 1.801884695e+02 1.801884695e+02 1.42 1.667506450e+02 1.667506450e+02 1.44 1.542844889e+02 1.542844889e+02 1.46 1.427146008e+02 1.427146008e+02 1.48 1.319707759e+02 1.319707759e+02 1.50 1.219885868e+02 1.219885868e+02 1.52 1.127096244e+02 1.127096244e+02 1.54 1.040809715e+02 1.040809715e+02 1.56 9.605417049e+01 9.605417049e+01 1.58 8.858428882e+01 8.858428882e+01 1.60 8.162938083e+01 8.162938083e+01 1.62 7.515025911e+01 7.515025911e+01 1.64 6.911036978e+01 6.911036978e+01 1.66 6.347568427e+01 6.347568427e+01 1.68 5.821469205e+01 5.821469205e+01 1.70 5.329859026e+01 5.329859026e+01 1.72 4.870161455e+01 4.870161455e+01 1.74 4.440133255e+01 4.440133255e+01 1.76 4.038619499e+01 4.038619499e+01 1.78 3.666482502e+01 3.666482502e+01 1.80 3.322256792e+01 3.322256792e+01 1.82 3.004340627e+01 3.004340627e+01 1.84 2.711159096e+01 2.711159096e+01 1.86 2.441130908e+01 2.441130908e+01 1.88 2.192674419e+01 2.192674419e+01 1.90 1.964233506e+01 1.964233506e+01 1.92 1.754304351e+01 1.754304351e+01 1.94 1.561452933e+01 1.561452933e+01 1.96 1.384322511e+01 1.384322511e+01 1.98 1.221636264e+01 1.221636264e+01 2.00 1.072200534e+01 1.072200534e+01 2.02 9.349097028e+00 9.349097028e+00 2.04 8.087495140e+00 8.087495140e+00 2.06 6.927954735e+00 6.927954735e+00 2.08 5.862062736e+00 5.862062736e+00 2.10 4.882151788e+00 4.882151788e+00 2.12 3.981225414e+00 3.981225414e+00 2.14 3.152907260e+00 3.152907260e+00 2.16 2.391407226e+00 2.391407226e+00 2.18 1.691489473e+00 1.691489473e+00 2.20 1.048432064e+00 1.048432064e+00 2.22 4.579779535e-01 4.579779535e-01 2.24 -8.371613509e-02 -8.371613509e-02 2.26 -5.801262402e-01 -5.801262402e-01 2.28 -1.034401383e+00 -1.034401383e+00 2.30 -1.449401075e+00 -1.449401075e+00 2.32 -1.827734893e+00 -1.827734893e+00 2.34 -2.171805100e+00 -2.171805100e+00 2.36 -2.483847911e+00 -2.483847911e+00 2.38 -2.765966441e+00 -2.765966441e+00 2.40 -3.020150872e+00 -3.020150872e+00 2.42 -3.248286662e+00 -3.248286662e+00 2.44 -3.452156120e+00 -3.452156120e+00 2.46 -3.633439243e+00 -3.633439243e+00 2.48 -3.793604479e+00 -3.793604479e+00 2.50 -3.934161487e+00 -3.934161487e+00 2.52 -4.056674385e+00 -4.056674385e+00 2.54 -4.162616263e+00 -4.162616263e+00 2.56 -4.253382140e+00 -4.253382140e+00 2.58 -4.330295045e+00 -4.330295045e+00 2.60 -4.394603933e+00 -4.394603933e+00 2.62 -4.447471808e+00 -4.447471808e+00 2.64 -4.489842003e+00 -4.489842003e+00 2.66 -4.522425257e+00 -4.522425257e+00 2.68 -4.545881306e+00 -4.545881306e+00 2.70 -4.560827316e+00 -4.560827316e+00 2.72 -4.567839740e+00 -4.567839740e+00 2.74 -4.567501465e+00 -4.567501465e+00 2.76 -4.560419378e+00 -4.560419378e+00 2.78 -4.546760372e+00 -4.546760372e+00 2.80 -4.526623086e+00 -4.526623086e+00 2.82 -4.500152043e+00 -4.500152043e+00 2.84 -4.467527912e+00 -4.467527912e+00 2.86 -4.428961239e+00 -4.428961239e+00 2.88 -4.384690312e+00 -4.384690312e+00 2.90 -4.334981731e+00 -4.334981731e+00 2.92 -4.280123393e+00 -4.280123393e+00 2.94 -4.220429150e+00 -4.220429150e+00 2.96 -4.156250793e+00 -4.156250793e+00 2.98 -4.087976756e+00 -4.087976756e+00 3.00 -4.016026946e+00 -4.016026946e+00 3.02 -3.940843833e+00 -3.940843833e+00 3.04 -3.862880005e+00 -3.862880005e+00 3.06 -3.782583004e+00 -3.782583004e+00 3.08 -3.700379003e+00 -3.700379003e+00 3.10 -3.616657396e+00 -3.616657396e+00 3.12 -3.531758513e+00 -3.531758513e+00 3.14 -3.445966227e+00 -3.445966227e+00 3.16 -3.359506347e+00 -3.359506347e+00 3.18 -3.272550601e+00 -3.272550601e+00 3.20 -3.185225117e+00 -3.185225117e+00 3.22 -3.097621827e+00 -3.097621827e+00 3.24 -3.009811232e+00 -3.009811232e+00 3.26 -2.921855202e+00 -2.921855202e+00 3.28 -2.833818902e+00 -2.833818902e+00 3.30 -2.745781194e+00 -2.745781194e+00 3.32 -2.657843096e+00 -2.657843096e+00 3.34 -2.570133918e+00 -2.570133918e+00 3.36 -2.482814731e+00 -2.482814731e+00 3.38 -2.396078871e+00 -2.396078871e+00 3.40 -2.310149298e+00 -2.310149298e+00 3.42 -2.225272853e+00 -2.225272853e+00 3.44 -2.141711750e+00 -2.141711750e+00 3.46 -2.059732987e+00 -2.059732987e+00 3.48 -1.979596628e+00 -1.979596628e+00 3.50 -1.901544106e+00 -1.901544106e+00 3.52 -1.825787687e+00 -1.825787687e+00 3.54 -1.752502074e+00 -1.752502074e+00 3.56 -1.681818820e+00 -1.681818820e+00 3.58 -1.613823825e+00 -1.613823825e+00 3.60 -1.548557816e+00 -1.548557816e+00 3.62 -1.486019398e+00 -1.486019398e+00 3.64 -1.426170058e+00 -1.426170058e+00 3.66 -1.368940449e+00 -1.368940449e+00 3.68 -1.314237299e+00 -1.314237299e+00 3.70 -1.261950408e+00 -1.261950408e+00 3.72 -1.211959307e+00 -1.211959307e+00 3.74 -1.164139285e+00 -1.164139285e+00 3.76 -1.118366601e+00 -1.118366601e+00 3.78 -1.074522725e+00 -1.074522725e+00 3.80 -1.032497520e+00 -1.032497520e+00 3.82 -9.921912849e-01 -9.921912849e-01 3.84 -9.535156135e-01 -9.535156135e-01 3.86 -9.163930809e-01 -9.163930809e-01 3.88 -8.807558842e-01 -8.807558842e-01 3.90 -8.465436653e-01 -8.465436653e-01 3.92 -8.137008661e-01 -8.137008661e-01 3.94 -7.821740300e-01 -7.821740300e-01 3.96 -7.519094417e-01 -7.519094417e-01 3.98 -7.228514280e-01 -7.228514280e-01 4.00 -6.949414717e-01 -6.949414717e-01 4.02 -6.681181434e-01 -6.681181434e-01 4.04 -6.423177196e-01 -6.423177196e-01 4.06 -6.174752826e-01 -6.174752826e-01 4.08 -5.935260784e-01 -5.935260784e-01 4.10 -5.704069425e-01 -5.704069425e-01 4.12 -5.480576653e-01 -5.480576653e-01 4.14 -5.264221863e-01 -5.264221863e-01 4.16 -5.054496176e-01 -5.054496176e-01 4.18 -4.850950469e-01 -4.850950469e-01 4.20 -4.653201288e-01 -4.653201288e-01 4.22 -4.460934467e-01 -4.460934467e-01 4.24 -4.273906343e-01 -4.273906343e-01 4.26 -4.091942370e-01 -4.091942370e-01 4.28 -3.914933078e-01 -3.914933078e-01 4.30 -3.742827470e-01 -3.742827470e-01 4.32 -3.575624246e-01 -3.575624246e-01 4.34 -3.413361453e-01 -3.413361453e-01 4.36 -3.256105365e-01 -3.256105365e-01 4.38 -3.103939376e-01 -3.103939376e-01 4.40 -2.956953525e-01 -2.956953525e-01 4.42 -2.815234974e-01 -2.815234974e-01 4.44 -2.678859463e-01 -2.678859463e-01 4.46 -2.547883511e-01 -2.547883511e-01 4.48 -2.422337169e-01 -2.422337169e-01 4.50 -2.302217226e-01 -2.302217226e-01 4.52 -2.187481134e-01 -2.187481134e-01 4.54 -2.078042126e-01 -2.078042126e-01 4.56 -1.973766214e-01 -1.973766214e-01 4.58 -1.874471673e-01 -1.874471673e-01 4.60 -1.779931346e-01 -1.779931346e-01 4.62 -1.689877830e-01 -1.689877830e-01 4.64 -1.604011163e-01 -1.604011163e-01 4.66 -1.522008232e-01 -1.522008232e-01 4.68 -1.443528996e-01 -1.443528996e-01 4.70 -1.368238110e-01 -1.368238110e-01 4.72 -1.295811014e-01 -1.295811014e-01 4.74 -1.225940109e-01 -1.225940109e-01 4.76 -1.158344161e-01 -1.158344161e-01 4.78 -1.092776150e-01 -1.092776150e-01 4.80 -1.029029544e-01 -1.029029544e-01 4.82 -9.669430586e-02 -9.669430586e-02 4.84 -9.064037201e-02 -9.064037201e-02 4.86 -8.473483346e-02 -8.473483346e-02 4.88 -7.897630820e-02 -7.897630820e-02 4.90 -7.336811428e-02 -7.336811428e-02 4.92 -6.791782439e-02 -6.791782439e-02 4.94 -6.263661238e-02 -6.263661238e-02 4.96 -5.753840774e-02 -5.753840774e-02 4.98 -5.263889413e-02 -5.263889413e-02 5.00 -4.795440835e-02 -4.795440835e-02 5.02 -4.350081134e-02 -4.350081134e-02 5.04 -3.929241654e-02 -3.929241654e-02 5.06 -3.534105214e-02 -3.534105214e-02 5.08 -3.165532149e-02 -3.165532149e-02 5.10 -2.824011628e-02 -2.824011628e-02 5.12 -2.509639039e-02 -2.509639039e-02 5.14 -2.222120203e-02 -2.222120203e-02 5.16 -1.960798448e-02 -1.960798448e-02 5.18 -1.724698819e-02 -1.724698819e-02 5.20 -1.512581007e-02 -1.512581007e-02 5.22 -1.322968482e-02 -1.322968482e-02 5.24 -1.154303163e-02 -1.154303163e-02 5.26 -1.004955268e-02 -1.004955268e-02 5.28 -8.732573328e-03 -8.732573328e-03 5.30 -7.575525703e-03 -7.575525703e-03 5.32 -6.562330162e-03 -6.562330162e-03 5.34 -5.677678542e-03 -5.677678542e-03 5.36 -4.907228880e-03 -4.907228880e-03 5.38 -4.237724335e-03 -4.237724335e-03 5.40 -3.657050206e-03 -3.657050206e-03 5.42 -3.154242601e-03 -3.154242601e-03 5.44 -2.719461116e-03 -2.719461116e-03 5.46 -2.343936186e-03 -2.343936186e-03 5.48 -2.019899904e-03 -2.019899904e-03 5.50 -1.740507313e-03 -1.740507313e-03 5.52 -1.499753530e-03 -1.499753530e-03 5.54 -1.292390619e-03 -1.292390619e-03 5.56 -1.113846995e-03 -1.113846995e-03 5.58 -9.601511908e-04 -9.601511908e-04 5.60 -8.278610864e-04 -8.278610864e-04 5.62 -7.139991801e-04 -7.139991801e-04 5.64 -6.159940788e-04 -6.159940788e-04 5.66 -5.316281110e-04 -5.316281110e-04 5.68 -4.589907881e-04 -4.589907881e-04 5.70 -3.964377281e-04 -3.964377281e-04 5.72 -3.425545942e-04 -3.425545942e-04 5.74 -2.961255776e-04 -2.961255776e-04 5.76 -2.561059536e-04 -2.561059536e-04 5.78 -2.215982604e-04 -2.215982604e-04 5.80 -1.918316747e-04 -1.918316747e-04 5.82 -1.661441951e-04 -1.661441951e-04 5.84 -1.439672773e-04 -1.439672773e-04 5.86 -1.248126045e-04 -1.248126045e-04 5.88 -1.082607094e-04 -1.082607094e-04 5.90 -9.395119804e-05 -9.395119804e-05 5.92 -8.157435719e-05 -8.157435719e-05 5.94 -7.086395317e-05 -7.086395317e-05 5.96 -6.159105613e-05 -6.159105613e-05 5.98 -5.355874541e-05 -5.355874541e-05 6.00 -4.659757121e-05 -4.659757121e-05