# 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 = CoPt2W # 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 3.852890983e+02 3.852890983e+02 1.30 3.589437196e+02 3.589437196e+02 1.32 3.343587192e+02 3.343587192e+02 1.34 3.114028776e+02 3.114028776e+02 1.36 2.899686142e+02 2.899686142e+02 1.38 2.699644459e+02 2.699644459e+02 1.40 2.513077664e+02 2.513077664e+02 1.42 2.339188992e+02 2.339188992e+02 1.44 2.177157977e+02 2.177157977e+02 1.46 2.026125071e+02 2.026125071e+02 1.48 1.885228542e+02 1.885228542e+02 1.50 1.753650408e+02 1.753650408e+02 1.52 1.630632825e+02 1.630632825e+02 1.54 1.515471717e+02 1.515471717e+02 1.56 1.407509686e+02 1.407509686e+02 1.58 1.306135321e+02 1.306135321e+02 1.60 1.210783785e+02 1.210783785e+02 1.62 1.120936708e+02 1.120936708e+02 1.64 1.036125465e+02 1.036125465e+02 1.66 9.559396356e+01 9.559396356e+01 1.68 8.800357812e+01 8.800357812e+01 1.70 8.081403015e+01 8.081403015e+01 1.72 7.400433112e+01 7.400433112e+01 1.74 6.755830005e+01 6.755830005e+01 1.76 6.146244143e+01 6.146244143e+01 1.78 5.570445867e+01 5.570445867e+01 1.80 5.027260548e+01 5.027260548e+01 1.82 4.515531117e+01 4.515531117e+01 1.84 4.034615340e+01 4.034615340e+01 1.86 3.593157654e+01 3.593157654e+01 1.88 3.192674954e+01 3.192674954e+01 1.90 2.829990728e+01 2.829990728e+01 1.92 2.501870574e+01 2.501870574e+01 1.94 2.205037872e+01 2.205037872e+01 1.96 1.936275575e+01 1.936275575e+01 1.98 1.692564654e+01 1.692564654e+01 2.00 1.471190890e+01 1.471190890e+01 2.02 1.269785661e+01 1.269785661e+01 2.04 1.086310664e+01 1.086310664e+01 2.06 9.190142379e+00 9.190142379e+00 2.08 7.663803814e+00 7.663803814e+00 2.10 6.270804598e+00 6.270804598e+00 2.12 4.999322250e+00 4.999322250e+00 2.14 3.838694323e+00 3.838694323e+00 2.16 2.779239136e+00 2.779239136e+00 2.18 1.812186352e+00 1.812186352e+00 2.20 9.296681547e-01 9.296681547e-01 2.22 1.247129340e-01 1.247129340e-01 2.24 -6.087956360e-01 -6.087956360e-01 2.26 -1.276200144e+00 -1.276200144e+00 2.28 -1.882177311e+00 -1.882177311e+00 2.30 -2.430853557e+00 -2.430853557e+00 2.32 -2.925914886e+00 -2.925914886e+00 2.34 -3.370705076e+00 -3.370705076e+00 2.36 -3.768311789e+00 -3.768311789e+00 2.38 -4.121642757e+00 -4.121642757e+00 2.40 -4.433494341e+00 -4.433494341e+00 2.42 -4.706568373e+00 -4.706568373e+00 2.44 -4.943578751e+00 -4.943578751e+00 2.46 -5.147383435e+00 -5.147383435e+00 2.48 -5.320880775e+00 -5.320880775e+00 2.50 -5.466996155e+00 -5.466996155e+00 2.52 -5.588642484e+00 -5.588642484e+00 2.54 -5.688653621e+00 -5.688653621e+00 2.56 -5.769697885e+00 -5.769697885e+00 2.58 -5.834143008e+00 -5.834143008e+00 2.60 -5.883822022e+00 -5.883822022e+00 2.62 -5.921317958e+00 -5.921317958e+00 2.64 -5.949444938e+00 -5.949444938e+00 2.66 -5.968503941e+00 -5.968503941e+00 2.68 -5.978666652e+00 -5.978666652e+00 2.70 -5.980060018e+00 -5.980060018e+00 2.72 -5.972804167e+00 -5.972804167e+00 2.74 -5.957064930e+00 -5.957064930e+00 2.76 -5.932959468e+00 -5.932959468e+00 2.78 -5.900625869e+00 -5.900625869e+00 2.80 -5.860240627e+00 -5.860240627e+00 2.82 -5.812016646e+00 -5.812016646e+00 2.84 -5.756204404e+00 -5.756204404e+00 2.86 -5.693098079e+00 -5.693098079e+00 2.88 -5.623042573e+00 -5.623042573e+00 2.90 -5.546390722e+00 -5.546390722e+00 2.92 -5.463540994e+00 -5.463540994e+00 2.94 -5.375000485e+00 -5.375000485e+00 2.96 -5.281384941e+00 -5.281384941e+00 2.98 -5.183401658e+00 -5.183401658e+00 3.00 -5.081815465e+00 -5.081815465e+00 3.02 -4.977401837e+00 -4.977401837e+00 3.04 -4.870895487e+00 -4.870895487e+00 3.06 -4.762944464e+00 -4.762944464e+00 3.08 -4.654077877e+00 -4.654077877e+00 3.10 -4.544691325e+00 -4.544691325e+00 3.12 -4.435049394e+00 -4.435049394e+00 3.14 -4.325301279e+00 -4.325301279e+00 3.16 -4.215504119e+00 -4.215504119e+00 3.18 -4.105649118e+00 -4.105649118e+00 3.20 -3.995686736e+00 -3.995686736e+00 3.22 -3.885549001e+00 -3.885549001e+00 3.24 -3.775168258e+00 -3.775168258e+00 3.26 -3.664492557e+00 -3.664492557e+00 3.28 -3.553498161e+00 -3.553498161e+00 3.30 -3.442199622e+00 -3.442199622e+00 3.32 -3.330657637e+00 -3.330657637e+00 3.34 -3.218984599e+00 -3.218984599e+00 3.36 -3.107347679e+00 -3.107347679e+00 3.38 -2.996079948e+00 -2.996079948e+00 3.40 -2.885848512e+00 -2.885848512e+00 3.42 -2.777344567e+00 -2.777344567e+00 3.44 -2.671209536e+00 -2.671209536e+00 3.46 -2.568018105e+00 -2.568018105e+00 3.48 -2.468261889e+00 -2.468261889e+00 3.50 -2.372336138e+00 -2.372336138e+00 3.52 -2.280531331e+00 -2.280531331e+00 3.54 -2.193030740e+00 -2.193030740e+00 3.56 -2.109914112e+00 -2.109914112e+00 3.58 -2.031166780e+00 -2.031166780e+00 3.60 -1.956692883e+00 -1.956692883e+00 3.62 -1.886331070e+00 -1.886331070e+00 3.64 -1.819871056e+00 -1.819871056e+00 3.66 -1.757069609e+00 -1.757069609e+00 3.68 -1.697664952e+00 -1.697664952e+00 3.70 -1.641388931e+00 -1.641388931e+00 3.72 -1.587976702e+00 -1.587976702e+00 3.74 -1.537173938e+00 -1.537173938e+00 3.76 -1.488741786e+00 -1.488741786e+00 3.78 -1.442459879e+00 -1.442459879e+00 3.80 -1.398127776e+00 -1.398127776e+00 3.82 -1.355565175e+00 -1.355565175e+00 3.84 -1.314611269e+00 -1.314611269e+00 3.86 -1.275123511e+00 -1.275123511e+00 3.88 -1.236976070e+00 -1.236976070e+00 3.90 -1.200058169e+00 -1.200058169e+00 3.92 -1.164272473e+00 -1.164272473e+00 3.94 -1.129533643e+00 -1.129533643e+00 3.96 -1.095767117e+00 -1.095767117e+00 3.98 -1.062908190e+00 -1.062908190e+00 4.00 -1.030901343e+00 -1.030901343e+00 4.02 -9.996998410e-01 -9.996998410e-01 4.04 -9.692654887e-01 -9.692654887e-01 4.06 -9.395684842e-01 -9.395684842e-01 4.08 -9.105872366e-01 -9.105872366e-01 4.10 -8.823080218e-01 -8.823080218e-01 4.12 -8.547243997e-01 -8.547243997e-01 4.14 -8.278361996e-01 -8.278361996e-01 4.16 -8.016481838e-01 -8.016481838e-01 4.18 -7.761683119e-01 -7.761683119e-01 4.20 -7.514057548e-01 -7.514057548e-01 4.22 -7.273688091e-01 -7.273688091e-01 4.24 -7.040628924e-01 -7.040628924e-01 4.26 -6.814887865e-01 -6.814887865e-01 4.28 -6.596412526e-01 -6.596412526e-01 4.30 -6.385080811e-01 -6.385080811e-01 4.32 -6.180695884e-01 -6.180695884e-01 4.34 -5.982985335e-01 -5.982985335e-01 4.36 -5.791604061e-01 -5.791604061e-01 4.38 -5.606140309e-01 -5.606140309e-01 4.40 -5.426124225e-01 -5.426124225e-01 4.42 -5.251038211e-01 -5.251038211e-01 4.44 -5.080328347e-01 -5.080328347e-01 4.46 -4.913416146e-01 -4.913416146e-01 4.48 -4.749710089e-01 -4.749710089e-01 4.50 -4.588616570e-01 -4.588616570e-01 4.52 -4.429550203e-01 -4.429550203e-01 4.54 -4.271943662e-01 -4.271943662e-01 4.56 -4.115257471e-01 -4.115257471e-01 4.58 -3.958990196e-01 -3.958990196e-01 4.60 -3.802689557e-01 -3.802689557e-01 4.62 -3.645964766e-01 -3.645964766e-01 4.64 -3.488500264e-01 -3.488500264e-01 4.66 -3.330070649e-01 -3.330070649e-01 4.68 -3.170556259e-01 -3.170556259e-01 4.70 -3.009958424e-01 -3.009958424e-01 4.72 -2.848413022e-01 -2.848413022e-01 4.74 -2.686200626e-01 -2.686200626e-01 4.76 -2.523751340e-01 -2.523751340e-01 4.78 -2.361642486e-01 -2.361642486e-01 4.80 -2.200587645e-01 -2.200587645e-01 4.82 -2.041416412e-01 -2.041416412e-01 4.84 -1.885044717e-01 -1.885044717e-01 4.86 -1.732437359e-01 -1.732437359e-01 4.88 -1.584565079e-01 -1.584565079e-01 4.90 -1.442359559e-01 -1.442359559e-01 4.92 -1.306670193e-01 -1.306670193e-01 4.94 -1.178226353e-01 -1.178226353e-01 4.96 -1.057611103e-01 -1.057611103e-01 4.98 -9.452436136e-02 -9.452436136e-02 5.00 -8.413576084e-02 -8.413576084e-02 5.02 -7.460160190e-02 -7.460160190e-02 5.04 -6.591247302e-02 -6.591247302e-02 5.06 -5.804523959e-02 -5.804523959e-02 5.08 -5.096545694e-02 -5.096545694e-02 5.10 -4.462996789e-02 -4.462996789e-02 5.12 -3.898947351e-02 -3.898947351e-02 5.14 -3.399091565e-02 -3.399091565e-02 5.16 -2.957956414e-02 -2.957956414e-02 5.18 -2.570075184e-02 -2.570075184e-02 5.20 -2.230123987e-02 -2.230123987e-02 5.22 -1.933023458e-02 -1.933023458e-02 5.24 -1.674008674e-02 -1.674008674e-02 5.26 -1.448662312e-02 -1.448662312e-02 5.28 -1.252924279e-02 -1.252924279e-02 5.30 -1.083175442e-02 -1.083175442e-02 5.32 -9.361614740e-03 -9.361614740e-03 5.34 -8.089737319e-03 -8.089737319e-03 5.36 -6.990310362e-03 -6.990310362e-03 5.38 -6.040562323e-03 -6.040562323e-03 5.40 -5.220501100e-03 -5.220501100e-03 5.42 -4.512645088e-03 -4.512645088e-03 5.44 -3.901758553e-03 -3.901758553e-03 5.46 -3.374599381e-03 -3.374599381e-03 5.48 -2.919684062e-03 -2.919684062e-03 5.50 -2.527072420e-03 -2.527072420e-03 5.52 -2.188172993e-03 -2.188172993e-03 5.54 -1.895568885e-03 -1.895568885e-03 5.56 -1.642863198e-03 -1.642863198e-03 5.58 -1.424542752e-03 -1.424542752e-03 5.60 -1.235858555e-03 -1.235858555e-03 5.62 -1.072721435e-03 -1.072721435e-03 5.64 -9.316112194e-04 -9.316112194e-04 5.66 -8.094979419e-04 -8.094979419e-04 5.68 -7.037736448e-04 -7.037736448e-04 5.70 -6.121934631e-04 -6.121934631e-04 5.72 -5.328248090e-04 -5.328248090e-04 5.74 -4.640035978e-04 -4.640035978e-04 5.76 -4.042965762e-04 -4.042965762e-04 5.78 -3.524689278e-04 -3.524689278e-04 5.80 -3.074564325e-04 -3.074564325e-04 5.82 -2.683415500e-04 -2.683415500e-04 5.84 -2.343328790e-04 -2.343328790e-04 5.86 -2.047475200e-04 -2.047475200e-04 5.88 -1.789959306e-04 -1.789959306e-04 5.90 -1.565689216e-04 -1.565689216e-04 5.92 -1.370264902e-04 -1.370264902e-04 5.94 -1.199882277e-04 -1.199882277e-04 5.96 -1.051250799e-04 -1.051250799e-04 5.98 -9.215226584e-05 -9.215226584e-05 6.00 -8.082319086e-05 -8.082319086e-05