# 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 = PtTiW2 # 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 4.481192796e+02 4.481192796e+02 1.30 4.165500767e+02 4.165500767e+02 1.32 3.872297233e+02 3.872297233e+02 1.34 3.599735319e+02 3.599735319e+02 1.36 3.346270337e+02 3.346270337e+02 1.38 3.110564244e+02 3.110564244e+02 1.40 2.891391938e+02 2.891391938e+02 1.42 2.687577662e+02 2.687577662e+02 1.44 2.497973252e+02 2.497973252e+02 1.46 2.321476957e+02 2.321476957e+02 1.48 2.157068130e+02 2.157068130e+02 1.50 2.003826417e+02 2.003826417e+02 1.52 1.860925369e+02 1.860925369e+02 1.54 1.727611863e+02 1.727611863e+02 1.56 1.603186763e+02 1.603186763e+02 1.58 1.486994111e+02 1.486994111e+02 1.60 1.378416651e+02 1.378416651e+02 1.62 1.276874025e+02 1.276874025e+02 1.64 1.181823907e+02 1.181823907e+02 1.66 1.092767191e+02 1.092767191e+02 1.68 1.009254833e+02 1.009254833e+02 1.70 9.308919972e+01 9.308919972e+01 1.72 8.573373371e+01 8.573373371e+01 1.74 7.882982441e+01 7.882982441e+01 1.76 7.235241239e+01 7.235241239e+01 1.78 6.627994844e+01 6.627994844e+01 1.80 6.059371652e+01 6.059371652e+01 1.82 5.527699911e+01 5.527699911e+01 1.84 5.031394033e+01 5.031394033e+01 1.86 4.568828432e+01 4.568828432e+01 1.88 4.138240855e+01 4.138240855e+01 1.90 3.737731554e+01 3.737731554e+01 1.92 3.365332432e+01 3.365332432e+01 1.94 3.018926605e+01 3.018926605e+01 1.96 2.697985858e+01 2.697985858e+01 1.98 2.404209583e+01 2.404209583e+01 2.00 2.135192965e+01 2.135192965e+01 2.02 1.888620232e+01 1.888620232e+01 2.04 1.662455437e+01 1.662455437e+01 2.06 1.454889898e+01 1.454889898e+01 2.08 1.264297563e+01 1.264297563e+01 2.10 1.089202240e+01 1.089202240e+01 2.12 9.282561749e+00 9.282561749e+00 2.14 7.802280963e+00 7.802280963e+00 2.16 6.439991243e+00 6.439991243e+00 2.18 5.185636156e+00 5.185636156e+00 2.20 4.030302795e+00 4.030302795e+00 2.22 2.966187276e+00 2.966187276e+00 2.24 1.986489873e+00 1.986489873e+00 2.26 1.085249140e+00 1.085249140e+00 2.28 2.571522299e-01 2.571522299e-01 2.30 -5.026345498e-01 -5.026345498e-01 2.32 -1.198584163e+00 -1.198584163e+00 2.34 -1.834873812e+00 -1.834873812e+00 2.36 -2.415417046e+00 -2.415417046e+00 2.38 -2.943886104e+00 -2.943886104e+00 2.40 -3.423738082e+00 -3.423738082e+00 2.42 -3.858244887e+00 -3.858244887e+00 2.44 -4.250520880e+00 -4.250520880e+00 2.46 -4.603544173e+00 -4.603544173e+00 2.48 -4.920170500e+00 -4.920170500e+00 2.50 -5.203139158e+00 -5.203139158e+00 2.52 -5.455067939e+00 -5.455067939e+00 2.54 -5.678433075e+00 -5.678433075e+00 2.56 -5.875502112e+00 -5.875502112e+00 2.58 -6.048214565e+00 -6.048214565e+00 2.60 -6.198537567e+00 -6.198537567e+00 2.62 -6.328201934e+00 -6.328201934e+00 2.64 -6.438676402e+00 -6.438676402e+00 2.66 -6.531213523e+00 -6.531213523e+00 2.68 -6.606906533e+00 -6.606906533e+00 2.70 -6.666743687e+00 -6.666743687e+00 2.72 -6.711640577e+00 -6.711640577e+00 2.74 -6.742169062e+00 -6.742169062e+00 2.76 -6.759238353e+00 -6.759238353e+00 2.78 -6.763937233e+00 -6.763937233e+00 2.80 -6.756334870e+00 -6.756334870e+00 2.82 -6.736596149e+00 -6.736596149e+00 2.84 -6.704978604e+00 -6.704978604e+00 2.86 -6.661826757e+00 -6.661826757e+00 2.88 -6.607574840e+00 -6.607574840e+00 2.90 -6.542775332e+00 -6.542775332e+00 2.92 -6.468100882e+00 -6.468100882e+00 2.94 -6.384266877e+00 -6.384266877e+00 2.96 -6.292113344e+00 -6.292113344e+00 2.98 -6.192596271e+00 -6.192596271e+00 3.00 -6.086759677e+00 -6.086759677e+00 3.02 -5.975693330e+00 -5.975693330e+00 3.04 -5.860479928e+00 -5.860479928e+00 3.06 -5.742136897e+00 -5.742136897e+00 3.08 -5.621504071e+00 -5.621504071e+00 3.10 -5.499202980e+00 -5.499202980e+00 3.12 -5.375693209e+00 -5.375693209e+00 3.14 -5.251272722e+00 -5.251272722e+00 3.16 -5.126089625e+00 -5.126089625e+00 3.18 -5.000166428e+00 -5.000166428e+00 3.20 -4.873430387e+00 -4.873430387e+00 3.22 -4.745745858e+00 -4.745745858e+00 3.24 -4.616945637e+00 -4.616945637e+00 3.26 -4.486859848e+00 -4.486859848e+00 3.28 -4.355341885e+00 -4.355341885e+00 3.30 -4.222291451e+00 -4.222291451e+00 3.32 -4.087674716e+00 -4.087674716e+00 3.34 -3.951541427e+00 -3.951541427e+00 3.36 -3.814038357e+00 -3.814038357e+00 3.38 -3.675418213e+00 -3.675418213e+00 3.40 -3.536042874e+00 -3.536042874e+00 3.42 -3.396457004e+00 -3.396457004e+00 3.44 -3.257682005e+00 -3.257682005e+00 3.46 -3.120839726e+00 -3.120839726e+00 3.48 -2.986963406e+00 -2.986963406e+00 3.50 -2.856965108e+00 -2.856965108e+00 3.52 -2.731609741e+00 -2.731609741e+00 3.54 -2.611498136e+00 -2.611498136e+00 3.56 -2.497060288e+00 -2.497060288e+00 3.58 -2.388558467e+00 -2.388558467e+00 3.60 -2.286098838e+00 -2.286098838e+00 3.62 -2.189649630e+00 -2.189649630e+00 3.64 -2.099063640e+00 -2.099063640e+00 3.66 -2.014102827e+00 -2.014102827e+00 3.68 -1.934462998e+00 -1.934462998e+00 3.70 -1.859796861e+00 -1.859796861e+00 3.72 -1.789734206e+00 -1.789734206e+00 3.74 -1.723898508e+00 -1.723898508e+00 3.76 -1.661919701e+00 -1.661919701e+00 3.78 -1.603443318e+00 -1.603443318e+00 3.80 -1.548136439e+00 -1.548136439e+00 3.82 -1.495691028e+00 -1.495691028e+00 3.84 -1.445825271e+00 -1.445825271e+00 3.86 -1.398283487e+00 -1.398283487e+00 3.88 -1.352835097e+00 -1.352835097e+00 3.90 -1.309273048e+00 -1.309273048e+00 3.92 -1.267411999e+00 -1.267411999e+00 3.94 -1.227086559e+00 -1.227086559e+00 3.96 -1.188149583e+00 -1.188149583e+00 3.98 -1.150470862e+00 -1.150470862e+00 4.00 -1.113936102e+00 -1.113936102e+00 4.02 -1.078446269e+00 -1.078446269e+00 4.04 -1.043917262e+00 -1.043917262e+00 4.06 -1.010279847e+00 -1.010279847e+00 4.08 -9.774797071e-01 -9.774797071e-01 4.10 -9.454773629e-01 -9.454773629e-01 4.12 -9.142482926e-01 -9.142482926e-01 4.14 -8.837816497e-01 -8.837816497e-01 4.16 -8.540793172e-01 -8.540793172e-01 4.18 -8.251536995e-01 -8.251536995e-01 4.20 -7.970248784e-01 -7.970248784e-01 4.22 -7.697171709e-01 -7.697171709e-01 4.24 -7.432553624e-01 -7.432553624e-01 4.26 -7.176609799e-01 -7.176609799e-01 4.28 -6.929489932e-01 -6.929489932e-01 4.30 -6.691252736e-01 -6.691252736e-01 4.32 -6.461850254e-01 -6.461850254e-01 4.34 -6.241122493e-01 -6.241122493e-01 4.36 -6.028801523e-01 -6.028801523e-01 4.38 -5.824523067e-01 -5.824523067e-01 4.40 -5.627843050e-01 -5.627843050e-01 4.42 -5.438256532e-01 -5.438256532e-01 4.44 -5.255216847e-01 -5.255216847e-01 4.46 -5.078153378e-01 -5.078153378e-01 4.48 -4.906487054e-01 -4.906487054e-01 4.50 -4.739643318e-01 -4.739643318e-01 4.52 -4.577062586e-01 -4.577062586e-01 4.54 -4.418206100e-01 -4.418206100e-01 4.56 -4.262570403e-01 -4.262570403e-01 4.58 -4.109690342e-01 -4.109690342e-01 4.60 -3.959143521e-01 -3.959143521e-01 4.62 -3.810557701e-01 -3.810557701e-01 4.64 -3.663618455e-01 -3.663618455e-01 4.66 -3.518077179e-01 -3.518077179e-01 4.68 -3.373759284e-01 -3.373759284e-01 4.70 -3.230572058e-01 -3.230572058e-01 4.72 -3.088511461e-01 -3.088511461e-01 4.74 -2.947666840e-01 -2.947666840e-01 4.76 -2.808222510e-01 -2.808222510e-01 4.78 -2.670455124e-01 -2.670455124e-01 4.80 -2.534725587e-01 -2.534725587e-01 4.82 -2.401467718e-01 -2.401467718e-01 4.84 -2.271167102e-01 -2.271167102e-01 4.86 -2.144340235e-01 -2.144340235e-01 4.88 -2.021508280e-01 -2.021508280e-01 4.90 -1.903170436e-01 -1.903170436e-01 4.92 -1.789778600e-01 -1.789778600e-01 4.94 -1.681715491e-01 -1.681715491e-01 4.96 -1.579278025e-01 -1.579278025e-01 4.98 -1.482666900e-01 -1.482666900e-01 5.00 -1.391982783e-01 -1.391982783e-01 5.02 -1.307228689e-01 -1.307228689e-01 5.04 -1.228317551e-01 -1.228317551e-01 5.06 -1.155083627e-01 -1.155083627e-01 5.08 -1.087297909e-01 -1.087297909e-01 5.10 -1.024683569e-01 -1.024683569e-01 5.12 -9.669214856e-02 -9.669214856e-02 5.14 -9.136708743e-02 -9.136708743e-02 5.16 -8.645816287e-02 -8.645816287e-02 5.18 -8.193040571e-02 -8.193040571e-02 5.20 -7.774965560e-02 -7.774965560e-02 5.22 -7.388313271e-02 -7.388313271e-02 5.24 -7.029983439e-02 -7.029983439e-02 5.26 -6.697078264e-02 -6.697078264e-02 5.28 -6.386914976e-02 -6.386914976e-02 5.30 -6.097028851e-02 -6.097028851e-02 5.32 -5.825169124e-02 -5.825169124e-02 5.34 -5.569289896e-02 -5.569289896e-02 5.36 -5.327537835e-02 -5.327537835e-02 5.38 -5.098238136e-02 -5.098238136e-02 5.40 -4.879879911e-02 -4.879879911e-02 5.42 -4.671101935e-02 -4.671101935e-02 5.44 -4.470679427e-02 -4.470679427e-02 5.46 -4.277512407e-02 -4.277512407e-02 5.48 -4.090615977e-02 -4.090615977e-02 5.50 -3.909112767e-02 -3.909112767e-02 5.52 -3.732227676e-02 -3.732227676e-02 5.54 -3.559284911e-02 -3.559284911e-02 5.56 -3.389707210e-02 -3.389707210e-02 5.58 -3.223016955e-02 -3.223016955e-02 5.60 -3.058838847e-02 -3.058838847e-02 5.62 -2.896903503e-02 -2.896903503e-02 5.64 -2.737051223e-02 -2.737051223e-02 5.66 -2.579235013e-02 -2.579235013e-02 5.68 -2.423521828e-02 -2.423521828e-02 5.70 -2.270090947e-02 -2.270090947e-02 5.72 -2.119228480e-02 -2.119228480e-02 5.74 -1.971317228e-02 -1.971317228e-02 5.76 -1.826821479e-02 -1.826821479e-02 5.78 -1.686255552e-02 -1.686255552e-02 5.80 -1.550174537e-02 -1.550174537e-02 5.82 -1.419157489e-02 -1.419157489e-02 5.84 -1.293763169e-02 -1.293763169e-02 5.86 -1.174502075e-02 -1.174502075e-02 5.88 -1.061811480e-02 -1.061811480e-02 5.90 -9.560353474e-03 -9.560353474e-03 5.92 -8.574104747e-03 -8.574104747e-03 5.94 -7.660595487e-03 -7.660595487e-03 5.96 -6.819910776e-03 -6.819910776e-03 5.98 -6.051055085e-03 -6.051055085e-03 6.00 -5.352063503e-03 -5.352063503e-03