# 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 = MoTaZr2 # 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 3.903397009e+02 3.903397009e+02 1.30 3.628966551e+02 3.628966551e+02 1.32 3.374461021e+02 3.374461021e+02 1.34 3.138280256e+02 3.138280256e+02 1.36 2.918960513e+02 2.918960513e+02 1.38 2.715166125e+02 2.715166125e+02 1.40 2.525681112e+02 2.525681112e+02 1.42 2.349395623e+02 2.349395623e+02 1.44 2.185290785e+02 2.185290785e+02 1.46 2.032428114e+02 2.032428114e+02 1.48 1.889945191e+02 1.889945191e+02 1.50 1.757054233e+02 1.757054233e+02 1.52 1.633041136e+02 1.633041136e+02 1.54 1.517263100e+02 1.517263100e+02 1.56 1.409145340e+02 1.409145340e+02 1.58 1.308175631e+02 1.308175631e+02 1.60 1.213894820e+02 1.213894820e+02 1.62 1.125883532e+02 1.125883532e+02 1.64 1.043749595e+02 1.043749595e+02 1.66 9.671194614e+01 9.671194614e+01 1.68 8.956350409e+01 8.956350409e+01 1.70 8.289550287e+01 8.289550287e+01 1.72 7.667567275e+01 7.667567275e+01 1.74 7.087370782e+01 7.087370782e+01 1.76 6.546122087e+01 6.546122087e+01 1.78 6.041164516e+01 6.041164516e+01 1.80 5.570008311e+01 5.570008311e+01 1.82 5.130317554e+01 5.130317554e+01 1.84 4.719895606e+01 4.719895606e+01 1.86 4.336688317e+01 4.336688317e+01 1.88 3.978790497e+01 3.978790497e+01 1.90 3.644450829e+01 3.644450829e+01 1.92 3.332064663e+01 3.332064663e+01 1.94 3.040156480e+01 3.040156480e+01 1.96 2.767358301e+01 2.767358301e+01 1.98 2.512394752e+01 2.512394752e+01 2.00 2.274074286e+01 2.274074286e+01 2.02 2.051289162e+01 2.051289162e+01 2.04 1.843167784e+01 1.843167784e+01 2.06 1.649163053e+01 1.649163053e+01 2.08 1.468435108e+01 1.468435108e+01 2.10 1.300077839e+01 1.300077839e+01 2.12 1.143240823e+01 1.143240823e+01 2.14 9.971309027e+00 9.971309027e+00 2.16 8.610160045e+00 8.610160045e+00 2.18 7.342257465e+00 7.342257465e+00 2.20 6.161493824e+00 6.161493824e+00 2.22 5.062277715e+00 5.062277715e+00 2.24 4.039453764e+00 4.039453764e+00 2.26 3.088239157e+00 3.088239157e+00 2.28 2.204168569e+00 2.204168569e+00 2.30 1.383090031e+00 1.383090031e+00 2.32 6.211037407e-01 6.211037407e-01 2.34 -8.544193988e-02 -8.544193988e-02 2.36 -7.400044379e-01 -7.400044379e-01 2.38 -1.345868333e+00 -1.345868333e+00 2.40 -1.906160983e+00 -1.906160983e+00 2.42 -2.423866288e+00 -2.423866288e+00 2.44 -2.901819379e+00 -2.901819379e+00 2.46 -3.342709814e+00 -3.342709814e+00 2.48 -3.749071058e+00 -3.749071058e+00 2.50 -4.123267197e+00 -4.123267197e+00 2.52 -4.467478994e+00 -4.467478994e+00 2.54 -4.783693472e+00 -4.783693472e+00 2.56 -5.073700522e+00 -5.073700522e+00 2.58 -5.339099533e+00 -5.339099533e+00 2.60 -5.581317732e+00 -5.581317732e+00 2.62 -5.801635224e+00 -5.801635224e+00 2.64 -6.001233350e+00 -6.001233350e+00 2.66 -6.181202980e+00 -6.181202980e+00 2.68 -6.342587774e+00 -6.342587774e+00 2.70 -6.486396740e+00 -6.486396740e+00 2.72 -6.613612884e+00 -6.613612884e+00 2.74 -6.725194282e+00 -6.725194282e+00 2.76 -6.822069560e+00 -6.822069560e+00 2.78 -6.905127967e+00 -6.905127967e+00 2.80 -6.975222060e+00 -6.975222060e+00 2.82 -7.033146198e+00 -7.033146198e+00 2.84 -7.079579702e+00 -7.079579702e+00 2.86 -7.115216126e+00 -7.115216126e+00 2.88 -7.140805083e+00 -7.140805083e+00 2.90 -7.157152564e+00 -7.157152564e+00 2.92 -7.164871122e+00 -7.164871122e+00 2.94 -7.164495317e+00 -7.164495317e+00 2.96 -7.156547731e+00 -7.156547731e+00 2.98 -7.141494685e+00 -7.141494685e+00 3.00 -7.119699267e+00 -7.119699267e+00 3.02 -7.091474132e+00 -7.091474132e+00 3.04 -7.057087386e+00 -7.057087386e+00 3.06 -7.016816673e+00 -7.016816673e+00 3.08 -6.970763141e+00 -6.970763141e+00 3.10 -6.918931757e+00 -6.918931757e+00 3.12 -6.861368076e+00 -6.861368076e+00 3.14 -6.798175352e+00 -6.798175352e+00 3.16 -6.729455218e+00 -6.729455218e+00 3.18 -6.655195594e+00 -6.655195594e+00 3.20 -6.575387346e+00 -6.575387346e+00 3.22 -6.490089324e+00 -6.490089324e+00 3.24 -6.399430628e+00 -6.399430628e+00 3.26 -6.303613645e+00 -6.303613645e+00 3.28 -6.202916023e+00 -6.202916023e+00 3.30 -6.097688971e+00 -6.097688971e+00 3.32 -5.988349711e+00 -5.988349711e+00 3.34 -5.875367486e+00 -5.875367486e+00 3.36 -5.759244688e+00 -5.759244688e+00 3.38 -5.640496277e+00 -5.640496277e+00 3.40 -5.519629591e+00 -5.519629591e+00 3.42 -5.397135668e+00 -5.397135668e+00 3.44 -5.273470223e+00 -5.273470223e+00 3.46 -5.149054565e+00 -5.149054565e+00 3.48 -5.024270700e+00 -5.024270700e+00 3.50 -4.899459397e+00 -4.899459397e+00 3.52 -4.774918805e+00 -4.774918805e+00 3.54 -4.650903593e+00 -4.650903593e+00 3.56 -4.527625049e+00 -4.527625049e+00 3.58 -4.405252655e+00 -4.405252655e+00 3.60 -4.283917533e+00 -4.283917533e+00 3.62 -4.163717892e+00 -4.163717892e+00 3.64 -4.044726302e+00 -4.044726302e+00 3.66 -3.926998385e+00 -3.926998385e+00 3.68 -3.810582357e+00 -3.810582357e+00 3.70 -3.695528742e+00 -3.695528742e+00 3.72 -3.581899569e+00 -3.581899569e+00 3.74 -3.469776375e+00 -3.469776375e+00 3.76 -3.359266354e+00 -3.359266354e+00 3.78 -3.250506063e+00 -3.250506063e+00 3.80 -3.143662167e+00 -3.143662167e+00 3.82 -3.038928834e+00 -3.038928834e+00 3.84 -2.936521606e+00 -2.936521606e+00 3.86 -2.836667923e+00 -2.836667923e+00 3.88 -2.739594950e+00 -2.739594950e+00 3.90 -2.645515841e+00 -2.645515841e+00 3.92 -2.554612493e+00 -2.554612493e+00 3.94 -2.467038520e+00 -2.467038520e+00 3.96 -2.382887166e+00 -2.382887166e+00 3.98 -2.302203622e+00 -2.302203622e+00 4.00 -2.224980873e+00 -2.224980873e+00 4.02 -2.151163952e+00 -2.151163952e+00 4.04 -2.080657091e+00 -2.080657091e+00 4.06 -2.013332510e+00 -2.013332510e+00 4.08 -1.949039618e+00 -1.949039618e+00 4.10 -1.887603953e+00 -1.887603953e+00 4.12 -1.828875613e+00 -1.828875613e+00 4.14 -1.772670964e+00 -1.772670964e+00 4.16 -1.718822703e+00 -1.718822703e+00 4.18 -1.667171130e+00 -1.667171130e+00 4.20 -1.617566301e+00 -1.617566301e+00 4.22 -1.569869227e+00 -1.569869227e+00 4.24 -1.523952347e+00 -1.523952347e+00 4.26 -1.479699449e+00 -1.479699449e+00 4.28 -1.437005225e+00 -1.437005225e+00 4.30 -1.395774588e+00 -1.395774588e+00 4.32 -1.355921852e+00 -1.355921852e+00 4.34 -1.317369856e+00 -1.317369856e+00 4.36 -1.280049084e+00 -1.280049084e+00 4.38 -1.243896820e+00 -1.243896820e+00 4.40 -1.208856359e+00 -1.208856359e+00 4.42 -1.174876283e+00 -1.174876283e+00 4.44 -1.141909811e+00 -1.141909811e+00 4.46 -1.109914222e+00 -1.109914222e+00 4.48 -1.078850349e+00 -1.078850349e+00 4.50 -1.048682125e+00 -1.048682125e+00 4.52 -1.019376201e+00 -1.019376201e+00 4.54 -9.909016059e-01 -9.909016059e-01 4.56 -9.632294536e-01 -9.632294536e-01 4.58 -9.363326888e-01 -9.363326888e-01 4.60 -9.101858677e-01 -9.101858677e-01 4.62 -8.847649678e-01 -8.847649678e-01 4.64 -8.600472221e-01 -8.600472221e-01 4.66 -8.360109762e-01 -8.360109762e-01 4.68 -8.126355623e-01 -8.126355623e-01 4.70 -7.899011906e-01 -7.899011906e-01 4.72 -7.677888527e-01 -7.677888527e-01 4.74 -7.462802370e-01 -7.462802370e-01 4.76 -7.253576538e-01 -7.253576538e-01 4.78 -7.050039676e-01 -7.050039676e-01 4.80 -6.851963300e-01 -6.851963300e-01 4.82 -6.659320091e-01 -6.659320091e-01 4.84 -6.471877498e-01 -6.471877498e-01 4.86 -6.289481180e-01 -6.289481180e-01 4.88 -6.111979762e-01 -6.111979762e-01 4.90 -5.939224457e-01 -5.939224457e-01 4.92 -5.771068709e-01 -5.771068709e-01 4.94 -5.607367870e-01 -5.607367870e-01 4.96 -5.447978901e-01 -5.447978901e-01 4.98 -5.292760104e-01 -5.292760104e-01 5.00 -5.141570895e-01 -5.141570895e-01 5.02 -4.994271619e-01 -4.994271619e-01 5.04 -4.850723436e-01 -4.850723436e-01 5.06 -4.710788268e-01 -4.710788268e-01 5.08 -4.574328854e-01 -4.574328854e-01 5.10 -4.441208925e-01 -4.441208925e-01 5.12 -4.311293523e-01 -4.311293523e-01 5.14 -4.184449502e-01 -4.184449502e-01 5.16 -4.060546250e-01 -4.060546250e-01 5.18 -3.939456653e-01 -3.939456653e-01 5.20 -3.821058330e-01 -3.821058330e-01 5.22 -3.705235168e-01 -3.705235168e-01 5.24 -3.591879148e-01 -3.591879148e-01 5.26 -3.480892442e-01 -3.480892442e-01 5.28 -3.372189720e-01 -3.372189720e-01 5.30 -3.265700564e-01 -3.265700564e-01 5.32 -3.161371835e-01 -3.161371835e-01 5.34 -3.059169797e-01 -3.059169797e-01 5.36 -2.959081737e-01 -2.959081737e-01 5.38 -2.861116809e-01 -2.861116809e-01 5.40 -2.765305839e-01 -2.765305839e-01 5.42 -2.671699846e-01 -2.671699846e-01 5.44 -2.580367167e-01 -2.580367167e-01 5.46 -2.491389165e-01 -2.491389165e-01 5.48 -2.404854693e-01 -2.404854693e-01 5.50 -2.320853669e-01 -2.320853669e-01 5.52 -2.239470239e-01 -2.239470239e-01 5.54 -2.160776116e-01 -2.160776116e-01 5.56 -2.084824653e-01 -2.084824653e-01 5.58 -2.011646198e-01 -2.011646198e-01 5.60 -1.941242736e-01 -1.941242736e-01 5.62 -1.873590063e-01 -1.873590063e-01 5.64 -1.808640466e-01 -1.808640466e-01 5.66 -1.746320488e-01 -1.746320488e-01 5.68 -1.686534148e-01 -1.686534148e-01 5.70 -1.629166879e-01 -1.629166879e-01 5.72 -1.574089797e-01 -1.574089797e-01 5.74 -1.521163902e-01 -1.521163902e-01 5.76 -1.470243967e-01 -1.470243967e-01 5.78 -1.421181924e-01 -1.421181924e-01 5.80 -1.373829668e-01 -1.373829668e-01 5.82 -1.328041259e-01 -1.328041259e-01 5.84 -1.283674569e-01 -1.283674569e-01 5.86 -1.240592453e-01 -1.240592453e-01 5.88 -1.198663531e-01 -1.198663531e-01 5.90 -1.157762698e-01 -1.157762698e-01 5.92 -1.117771451e-01 -1.117771451e-01 5.94 -1.078578138e-01 -1.078578138e-01 5.96 -1.040078199e-01 -1.040078199e-01 5.98 -1.002174472e-01 -1.002174472e-01 6.00 -9.647776206e-02 -9.647776206e-02