# 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 = AlAu2Ta # 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 3.069820723e+02 3.069820723e+02 1.30 2.855871148e+02 2.855871148e+02 1.32 2.657364660e+02 2.657364660e+02 1.34 2.473097605e+02 2.473097605e+02 1.36 2.301925157e+02 2.301925157e+02 1.38 2.142764630e+02 2.142764630e+02 1.40 1.994613277e+02 1.994613277e+02 1.42 1.856565967e+02 1.856565967e+02 1.44 1.727825680e+02 1.727825680e+02 1.46 1.607702597e+02 1.607702597e+02 1.48 1.495598365e+02 1.495598365e+02 1.50 1.390979799e+02 1.390979799e+02 1.52 1.293353854e+02 1.293353854e+02 1.54 1.202252022e+02 1.202252022e+02 1.56 1.117223302e+02 1.117223302e+02 1.58 1.037832440e+02 1.037832440e+02 1.60 9.636625680e+01 9.636625680e+01 1.62 8.943213896e+01 8.943213896e+01 1.64 8.294479938e+01 8.294479938e+01 1.66 7.687165964e+01 7.687165964e+01 1.68 7.118350090e+01 7.118350090e+01 1.70 6.585385968e+01 6.585385968e+01 1.72 6.085831580e+01 6.085831580e+01 1.74 5.617400704e+01 5.617400704e+01 1.76 5.177943165e+01 5.177943165e+01 1.78 4.765438440e+01 4.765438440e+01 1.80 4.378264658e+01 4.378264658e+01 1.82 4.015185685e+01 4.015185685e+01 1.84 3.676317977e+01 3.676317977e+01 1.86 3.360234657e+01 3.360234657e+01 1.88 3.065494657e+01 3.065494657e+01 1.90 2.790686904e+01 2.790686904e+01 1.92 2.534563977e+01 2.534563977e+01 1.94 2.296036173e+01 2.296036173e+01 1.96 2.074142824e+01 2.074142824e+01 1.98 1.868015452e+01 1.868015452e+01 2.00 1.676837420e+01 1.676837420e+01 2.02 1.499806872e+01 1.499806872e+01 2.04 1.336110768e+01 1.336110768e+01 2.06 1.184915523e+01 1.184915523e+01 2.08 1.045374097e+01 1.045374097e+01 2.10 9.166439050e+00 9.166439050e+00 2.12 7.979078131e+00 7.979078131e+00 2.14 6.883920235e+00 6.883920235e+00 2.16 5.873777039e+00 5.873777039e+00 2.18 4.942060310e+00 4.942060310e+00 2.20 4.082779547e+00 4.082779547e+00 2.22 3.290504505e+00 3.290504505e+00 2.24 2.560307877e+00 2.560307877e+00 2.26 1.887699023e+00 1.887699023e+00 2.28 1.268556860e+00 1.268556860e+00 2.30 6.990690439e-01 6.990690439e-01 2.32 1.756836260e-01 1.756836260e-01 2.34 -3.049226272e-01 -3.049226272e-01 2.36 -7.458587385e-01 -7.458587385e-01 2.38 -1.150020790e+00 -1.150020790e+00 2.40 -1.520087290e+00 -1.520087290e+00 2.42 -1.858516916e+00 -1.858516916e+00 2.44 -2.167554731e+00 -2.167554731e+00 2.46 -2.449226662e+00 -2.449226662e+00 2.48 -2.705300819e+00 -2.705300819e+00 2.50 -2.937628198e+00 -2.937628198e+00 2.52 -3.147947387e+00 -3.147947387e+00 2.54 -3.337866545e+00 -3.337866545e+00 2.56 -3.508888986e+00 -3.508888986e+00 2.58 -3.662433869e+00 -3.662433869e+00 2.60 -3.799848124e+00 -3.799848124e+00 2.62 -3.922297056e+00 -3.922297056e+00 2.64 -4.030741723e+00 -4.030741723e+00 2.66 -4.126124749e+00 -4.126124749e+00 2.68 -4.209352624e+00 -4.209352624e+00 2.70 -4.281268105e+00 -4.281268105e+00 2.72 -4.342635671e+00 -4.342635671e+00 2.74 -4.394139553e+00 -4.394139553e+00 2.76 -4.436390686e+00 -4.436390686e+00 2.78 -4.469937988e+00 -4.469937988e+00 2.80 -4.495280277e+00 -4.495280277e+00 2.82 -4.512876645e+00 -4.512876645e+00 2.84 -4.523154699e+00 -4.523154699e+00 2.86 -4.526516881e+00 -4.526516881e+00 2.88 -4.523787297e+00 -4.523787297e+00 2.90 -4.515835999e+00 -4.515835999e+00 2.92 -4.502615209e+00 -4.502615209e+00 2.94 -4.484124253e+00 -4.484124253e+00 2.96 -4.460419845e+00 -4.460419845e+00 2.98 -4.431611407e+00 -4.431611407e+00 3.00 -4.397857957e+00 -4.397857957e+00 3.02 -4.359365548e+00 -4.359365548e+00 3.04 -4.316395492e+00 -4.316395492e+00 3.06 -4.269257649e+00 -4.269257649e+00 3.08 -4.218272996e+00 -4.218272996e+00 3.10 -4.163764621e+00 -4.163764621e+00 3.12 -4.106048457e+00 -4.106048457e+00 3.14 -4.045421108e+00 -4.045421108e+00 3.16 -3.982152306e+00 -3.982152306e+00 3.18 -3.916483368e+00 -3.916483368e+00 3.20 -3.848631251e+00 -3.848631251e+00 3.22 -3.778796655e+00 -3.778796655e+00 3.24 -3.707174006e+00 -3.707174006e+00 3.26 -3.633961068e+00 -3.633961068e+00 3.28 -3.559366372e+00 -3.559366372e+00 3.30 -3.483613235e+00 -3.483613235e+00 3.32 -3.406939804e+00 -3.406939804e+00 3.34 -3.329595252e+00 -3.329595252e+00 3.36 -3.251832818e+00 -3.251832818e+00 3.38 -3.173900823e+00 -3.173900823e+00 3.40 -3.096033026e+00 -3.096033026e+00 3.42 -3.018439682e+00 -3.018439682e+00 3.44 -2.941300404e+00 -2.941300404e+00 3.46 -2.864759565e+00 -2.864759565e+00 3.48 -2.788924527e+00 -2.788924527e+00 3.50 -2.713866558e+00 -2.713866558e+00 3.52 -2.639624032e+00 -2.639624032e+00 3.54 -2.566207349e+00 -2.566207349e+00 3.56 -2.493604967e+00 -2.493604967e+00 3.58 -2.421790038e+00 -2.421790038e+00 3.60 -2.350727198e+00 -2.350727198e+00 3.62 -2.280379215e+00 -2.280379215e+00 3.64 -2.210713261e+00 -2.210713261e+00 3.66 -2.141706618e+00 -2.141706618e+00 3.68 -2.073351651e+00 -2.073351651e+00 3.70 -2.005659861e+00 -2.005659861e+00 3.72 -1.938664798e+00 -1.938664798e+00 3.74 -1.872423614e+00 -1.872423614e+00 3.76 -1.807017044e+00 -1.807017044e+00 3.78 -1.742547668e+00 -1.742547668e+00 3.80 -1.679136441e+00 -1.679136441e+00 3.82 -1.616917603e+00 -1.616917603e+00 3.84 -1.556032288e+00 -1.556032288e+00 3.86 -1.496621302e+00 -1.496621302e+00 3.88 -1.438817668e+00 -1.438817668e+00 3.90 -1.382739576e+00 -1.382739576e+00 3.92 -1.328484342e+00 -1.328484342e+00 3.94 -1.276123878e+00 -1.276123878e+00 3.96 -1.225701899e+00 -1.225701899e+00 3.98 -1.177233057e+00 -1.177233057e+00 4.00 -1.130703832e+00 -1.130703832e+00 4.02 -1.086074945e+00 -1.086074945e+00 4.04 -1.043284960e+00 -1.043284960e+00 4.06 -1.002254688e+00 -1.002254688e+00 4.08 -9.628920429e-01 -9.628920429e-01 4.10 -9.250970255e-01 -9.250970255e-01 4.12 -8.887666560e-01 -8.887666560e-01 4.14 -8.537994947e-01 -8.537994947e-01 4.16 -8.200998390e-01 -8.200998390e-01 4.18 -7.875812843e-01 -7.875812843e-01 4.20 -7.561696004e-01 -7.561696004e-01 4.22 -7.258047805e-01 -7.258047805e-01 4.24 -6.964421310e-01 -6.964421310e-01 4.26 -6.680522908e-01 -6.680522908e-01 4.28 -6.406201229e-01 -6.406201229e-01 4.30 -6.141425074e-01 -6.141425074e-01 4.32 -5.886251845e-01 -5.886251845e-01 4.34 -5.640789216e-01 -5.640789216e-01 4.36 -5.405153810e-01 -5.405153810e-01 4.38 -5.179431202e-01 -5.179431202e-01 4.40 -4.963641372e-01 -4.963641372e-01 4.42 -4.757712888e-01 -4.757712888e-01 4.44 -4.561467688e-01 -4.561467688e-01 4.46 -4.374616753e-01 -4.374616753e-01 4.48 -4.196765514e-01 -4.196765514e-01 4.50 -4.027426843e-01 -4.027426843e-01 4.52 -3.866038951e-01 -3.866038951e-01 4.54 -3.711985586e-01 -3.711985586e-01 4.56 -3.564616316e-01 -3.564616316e-01 4.58 -3.423265302e-01 -3.423265302e-01 4.60 -3.287267624e-01 -3.287267624e-01 4.62 -3.155972843e-01 -3.155972843e-01 4.64 -3.028755903e-01 -3.028755903e-01 4.66 -2.905025796e-01 -2.905025796e-01 4.68 -2.784232576e-01 -2.784232576e-01 4.70 -2.665873319e-01 -2.665873319e-01 4.72 -2.549497588e-01 -2.549497588e-01 4.74 -2.434712846e-01 -2.434712846e-01 4.76 -2.321190061e-01 -2.321190061e-01 4.78 -2.208669575e-01 -2.208669575e-01 4.80 -2.096967014e-01 -2.096967014e-01 4.82 -1.985979235e-01 -1.985979235e-01 4.84 -1.875688709e-01 -1.875688709e-01 4.86 -1.766166947e-01 -1.766166947e-01 4.88 -1.657575044e-01 -1.657575044e-01 4.90 -1.550160910e-01 -1.550160910e-01 4.92 -1.444252427e-01 -1.444252427e-01 4.94 -1.340246099e-01 -1.340246099e-01 4.96 -1.238591242e-01 -1.238591242e-01 4.98 -1.139770242e-01 -1.139770242e-01 5.00 -1.044275977e-01 -1.044275977e-01 5.02 -9.525879232e-02 -9.525879232e-02 5.04 -8.651487864e-02 -8.651487864e-02 5.06 -7.823434791e-02 -7.823434791e-02 5.08 -7.044821178e-02 -7.044821178e-02 5.10 -6.317882215e-02 -6.317882215e-02 5.12 -5.643926832e-02 -5.643926832e-02 5.14 -5.023335356e-02 -5.023335356e-02 5.16 -4.455608850e-02 -4.455608850e-02 5.18 -3.939459762e-02 -3.939459762e-02 5.20 -3.472929005e-02 -3.472929005e-02 5.22 -3.053485708e-02 -3.053485708e-02 5.24 -2.678263207e-02 -2.678263207e-02 5.26 -2.344143551e-02 -2.344143551e-02 5.28 -2.047824381e-02 -2.047824381e-02 5.30 -1.786013719e-02 -1.786013719e-02 5.32 -1.555475231e-02 -1.555475231e-02 5.34 -1.353077025e-02 -1.353077025e-02 5.36 -1.175844968e-02 -1.175844968e-02 5.38 -1.020998215e-02 -1.020998215e-02 5.40 -8.859699899e-03 -8.859699899e-03 5.42 -7.684165986e-03 -7.684165986e-03 5.44 -6.662174918e-03 -6.662174918e-03 5.46 -5.774687924e-03 -5.774687924e-03 5.48 -5.004723376e-03 -5.004723376e-03 5.50 -4.337218756e-03 -4.337218756e-03 5.52 -3.758876971e-03 -3.758876971e-03 5.54 -3.258006609e-03 -3.258006609e-03 5.56 -2.824363088e-03 -2.824363088e-03 5.58 -2.448995488e-03 -2.448995488e-03 5.60 -2.124102197e-03 -2.124102197e-03 5.62 -1.842897190e-03 -1.842897190e-03 5.64 -1.599487841e-03 -1.599487841e-03 5.66 -1.388764478e-03 -1.388764478e-03 5.68 -1.206301428e-03 -1.206301428e-03 5.70 -1.048268987e-03 -1.048268987e-03 5.72 -9.113555818e-04 -9.113555818e-04 5.74 -7.926992688e-04 -7.926992688e-04 5.76 -6.898277041e-04 -6.898277041e-04 5.78 -6.006057126e-04 -6.006057126e-04 5.80 -5.231896219e-04 -5.231896219e-04 5.82 -4.559875839e-04 -4.559875839e-04 5.84 -3.976251639e-04 -3.976251639e-04 5.86 -3.469155463e-04 -3.469155463e-04 5.88 -3.028337713e-04 -3.028337713e-04 5.90 -2.644944804e-04 -2.644944804e-04 5.92 -2.311327094e-04 -2.311327094e-04 5.94 -2.020873215e-04 -2.020873215e-04 5.96 -1.767867259e-04 -1.767867259e-04 5.98 -1.547365702e-04 -1.547365702e-04 6.00 -1.355091369e-04 -1.355091369e-04