# 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 = PbPt2W # 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 5.071021476e+02 5.071021476e+02 1.30 4.741265787e+02 4.741265787e+02 1.32 4.432885316e+02 4.432885316e+02 1.34 4.144414028e+02 4.144414028e+02 1.36 3.874640848e+02 3.874640848e+02 1.38 3.622520002e+02 3.622520002e+02 1.40 3.387083853e+02 3.387083853e+02 1.42 3.167374082e+02 3.167374082e+02 1.44 2.962384660e+02 2.962384660e+02 1.46 2.771042881e+02 2.771042881e+02 1.48 2.592252755e+02 2.592252755e+02 1.50 2.424963807e+02 2.424963807e+02 1.52 2.268210034e+02 2.268210034e+02 1.54 2.121110090e+02 2.121110090e+02 1.56 1.982857308e+02 1.982857308e+02 1.58 1.852716329e+02 1.852716329e+02 1.60 1.730023653e+02 1.730023653e+02 1.62 1.614185061e+02 1.614185061e+02 1.64 1.504670868e+02 1.504670868e+02 1.66 1.401013289e+02 1.401013289e+02 1.68 1.302809293e+02 1.302809293e+02 1.70 1.209726062e+02 1.209726062e+02 1.72 1.121500695e+02 1.121500695e+02 1.74 1.037926581e+02 1.037926581e+02 1.76 9.588294558e+01 9.588294558e+01 1.78 8.840455112e+01 8.840455112e+01 1.80 8.134118584e+01 8.134118584e+01 1.82 7.467708367e+01 7.467708367e+01 1.84 6.839666065e+01 6.839666065e+01 1.86 6.248614909e+01 6.248614909e+01 1.88 5.700701293e+01 5.700701293e+01 1.90 5.199053096e+01 5.199053096e+01 1.92 4.739911832e+01 4.739911832e+01 1.94 4.319538398e+01 4.319538398e+01 1.96 3.934286509e+01 3.934286509e+01 1.98 3.580715678e+01 3.580715678e+01 2.00 3.255691593e+01 3.255691593e+01 2.02 2.956437313e+01 2.956437313e+01 2.04 2.680531614e+01 2.680531614e+01 2.06 2.425871907e+01 2.425871907e+01 2.08 2.190622097e+01 2.190622097e+01 2.10 1.973161199e+01 1.973161199e+01 2.12 1.772038779e+01 1.772038779e+01 2.14 1.585943016e+01 1.585943016e+01 2.16 1.413680562e+01 1.413680562e+01 2.18 1.254166964e+01 1.254166964e+01 2.20 1.106422525e+01 1.106422525e+01 2.22 9.695690164e+00 9.695690164e+00 2.24 8.428234320e+00 8.428234320e+00 2.26 7.254883833e+00 7.254883833e+00 2.28 6.169398969e+00 6.169398969e+00 2.30 5.166153091e+00 5.166153091e+00 2.32 4.240015192e+00 4.240015192e+00 2.34 3.386247072e+00 3.386247072e+00 2.36 2.600423957e+00 2.600423957e+00 2.38 1.878367952e+00 1.878367952e+00 2.40 1.216094785e+00 1.216094785e+00 2.42 6.097710407e-01 6.097710407e-01 2.44 5.568072735e-02 5.568072735e-02 2.46 -4.497937012e-01 -4.497937012e-01 2.48 -9.101307688e-01 -9.101307688e-01 2.50 -1.328719663e+00 -1.328719663e+00 2.52 -1.708930210e+00 -1.708930210e+00 2.54 -2.053968684e+00 -2.053968684e+00 2.56 -2.366839103e+00 -2.366839103e+00 2.58 -2.650304269e+00 -2.650304269e+00 2.60 -2.906854118e+00 -2.906854118e+00 2.62 -3.138691310e+00 -3.138691310e+00 2.64 -3.347732781e+00 -3.347732781e+00 2.66 -3.535516264e+00 -3.535516264e+00 2.68 -3.704706746e+00 -3.704706746e+00 2.70 -3.857499751e+00 -3.857499751e+00 2.72 -3.994390303e+00 -3.994390303e+00 2.74 -4.115893319e+00 -4.115893319e+00 2.76 -4.222537028e+00 -4.222537028e+00 2.78 -4.314854120e+00 -4.314854120e+00 2.80 -4.393373281e+00 -4.393373281e+00 2.82 -4.458612781e+00 -4.458612781e+00 2.84 -4.511078888e+00 -4.511078888e+00 2.86 -4.551270102e+00 -4.551270102e+00 2.88 -4.579687884e+00 -4.579687884e+00 2.90 -4.596852743e+00 -4.596852743e+00 2.92 -4.603322667e+00 -4.603322667e+00 2.94 -4.599709072e+00 -4.599709072e+00 2.96 -4.586684604e+00 -4.586684604e+00 2.98 -4.564978179e+00 -4.564978179e+00 3.00 -4.535355765e+00 -4.535355765e+00 3.02 -4.498589877e+00 -4.498589877e+00 3.04 -4.455423795e+00 -4.455423795e+00 3.06 -4.406543351e+00 -4.406543351e+00 3.08 -4.352550676e+00 -4.352550676e+00 3.10 -4.293959415e+00 -4.293959415e+00 3.12 -4.231196397e+00 -4.231196397e+00 3.14 -4.164616001e+00 -4.164616001e+00 3.16 -4.094510426e+00 -4.094510426e+00 3.18 -4.021128268e+00 -4.021128268e+00 3.20 -3.944686907e+00 -3.944686907e+00 3.22 -3.865383329e+00 -3.865383329e+00 3.24 -3.783402965e+00 -3.783402965e+00 3.26 -3.698927487e+00 -3.698927487e+00 3.28 -3.612142445e+00 -3.612142445e+00 3.30 -3.523245156e+00 -3.523245156e+00 3.32 -3.432458024e+00 -3.432458024e+00 3.34 -3.340051292e+00 -3.340051292e+00 3.36 -3.246281946e+00 -3.246281946e+00 3.38 -3.151441976e+00 -3.151441976e+00 3.40 -3.055865421e+00 -3.055865421e+00 3.42 -2.959923325e+00 -2.959923325e+00 3.44 -2.864025679e+00 -2.864025679e+00 3.46 -2.768812508e+00 -2.768812508e+00 3.48 -2.675060545e+00 -2.675060545e+00 3.50 -2.583442239e+00 -2.583442239e+00 3.52 -2.494506644e+00 -2.494506644e+00 3.54 -2.408671321e+00 -2.408671321e+00 3.56 -2.326226325e+00 -2.326226325e+00 3.58 -2.247344616e+00 -2.247344616e+00 3.60 -2.172094421e+00 -2.172094421e+00 3.62 -2.100455176e+00 -2.100455176e+00 3.64 -2.032335220e+00 -2.032335220e+00 3.66 -1.967589627e+00 -1.967589627e+00 3.68 -1.906036849e+00 -1.906036849e+00 3.70 -1.847473268e+00 -1.847473268e+00 3.72 -1.791685151e+00 -1.791685151e+00 3.74 -1.738457889e+00 -1.738457889e+00 3.76 -1.687582662e+00 -1.687582662e+00 3.78 -1.638860881e+00 -1.638860881e+00 3.80 -1.592106835e+00 -1.592106835e+00 3.82 -1.547149004e+00 -1.547149004e+00 3.84 -1.503830456e+00 -1.503830456e+00 3.86 -1.462008670e+00 -1.462008670e+00 3.88 -1.421555038e+00 -1.421555038e+00 3.90 -1.382354227e+00 -1.382354227e+00 3.92 -1.344303053e+00 -1.344303053e+00 3.94 -1.307311733e+00 -1.307311733e+00 3.96 -1.271300376e+00 -1.271300376e+00 3.98 -1.236200632e+00 -1.236200632e+00 4.00 -1.201954820e+00 -1.201954820e+00 4.02 -1.168515708e+00 -1.168515708e+00 4.04 -1.135846341e+00 -1.135846341e+00 4.06 -1.103919837e+00 -1.103919837e+00 4.08 -1.072719032e+00 -1.072719032e+00 4.10 -1.042235269e+00 -1.042235269e+00 4.12 -1.012469788e+00 -1.012469788e+00 4.14 -9.834283507e-01 -9.834283507e-01 4.16 -9.551218929e-01 -9.551218929e-01 4.18 -9.275632968e-01 -9.275632968e-01 4.20 -9.007646013e-01 -9.007646013e-01 4.22 -8.747341950e-01 -8.747341950e-01 4.24 -8.494742851e-01 -8.494742851e-01 4.26 -8.249789261e-01 -8.249789261e-01 4.28 -8.012328053e-01 -8.012328053e-01 4.30 -7.782108714e-01 -7.782108714e-01 4.32 -7.558787534e-01 -7.558787534e-01 4.34 -7.341938162e-01 -7.341938162e-01 4.36 -7.131066322e-01 -7.131066322e-01 4.38 -6.925626365e-01 -6.925626365e-01 4.40 -6.725037634e-01 -6.725037634e-01 4.42 -6.528699190e-01 -6.528699190e-01 4.44 -6.336002123e-01 -6.336002123e-01 4.46 -6.146339251e-01 -6.146339251e-01 4.48 -5.959112541e-01 -5.959112541e-01 4.50 -5.773738857e-01 -5.773738857e-01 4.52 -5.589654862e-01 -5.589654862e-01 4.54 -5.406321923e-01 -5.406321923e-01 4.56 -5.223231851e-01 -5.223231851e-01 4.58 -5.039914178e-01 -5.039914178e-01 4.60 -4.855945548e-01 -4.855945548e-01 4.62 -4.670961517e-01 -4.670961517e-01 4.64 -4.484670836e-01 -4.484670836e-01 4.66 -4.296871896e-01 -4.296871896e-01 4.68 -4.107470615e-01 -4.107470615e-01 4.70 -3.916498619e-01 -3.916498619e-01 4.72 -3.724130064e-01 -3.724130064e-01 4.74 -3.530695100e-01 -3.530695100e-01 4.76 -3.336687711e-01 -3.336687711e-01 4.78 -3.142765698e-01 -3.142765698e-01 4.80 -2.949733790e-01 -2.949733790e-01 4.82 -2.758552595e-01 -2.758552595e-01 4.84 -2.570260860e-01 -2.570260860e-01 4.86 -2.385966446e-01 -2.385966446e-01 4.88 -2.206789822e-01 -2.206789822e-01 4.90 -2.033812822e-01 -2.033812822e-01 4.92 -1.868028719e-01 -1.868028719e-01 4.94 -1.710298056e-01 -1.710298056e-01 4.96 -1.561314017e-01 -1.561314017e-01 4.98 -1.421579929e-01 -1.421579929e-01 5.00 -1.291399928e-01 -1.291399928e-01 5.02 -1.170882339e-01 -1.170882339e-01 5.04 -1.059953985e-01 -1.059953985e-01 5.06 -9.583828072e-02 -9.583828072e-02 5.08 -8.658057876e-02 -8.658057876e-02 5.10 -7.817592283e-02 -7.817592283e-02 5.12 -7.057088337e-02 -7.057088337e-02 5.14 -6.370775452e-02 -6.370775452e-02 5.16 -5.752700229e-02 -5.752700229e-02 5.18 -5.196928659e-02 -5.196928659e-02 5.20 -4.697702744e-02 -4.697702744e-02 5.22 -4.249554691e-02 -4.249554691e-02 5.24 -3.847382641e-02 -3.847382641e-02 5.26 -3.486475195e-02 -3.486475195e-02 5.28 -3.162506164e-02 -3.162506164e-02 5.30 -2.871674730e-02 -2.871674730e-02 5.32 -2.610561786e-02 -2.610561786e-02 5.34 -2.376097003e-02 -2.376097003e-02 5.36 -2.165532669e-02 -2.165532669e-02 5.38 -1.976407702e-02 -1.976407702e-02 5.40 -1.806510378e-02 -1.806510378e-02 5.42 -1.653880236e-02 -1.653880236e-02 5.44 -1.516753369e-02 -1.516753369e-02 5.46 -1.393536435e-02 -1.393536435e-02 5.48 -1.282787227e-02 -1.282787227e-02 5.50 -1.183198461e-02 -1.183198461e-02 5.52 -1.093584377e-02 -1.093584377e-02 5.54 -1.012869627e-02 -1.012869627e-02 5.56 -9.400799363e-03 -9.400799363e-03 5.58 -8.743340264e-03 -8.743340264e-03 5.60 -8.148364208e-03 -8.148364208e-03 5.62 -7.608708408e-03 -7.608708408e-03 5.64 -7.117942714e-03 -7.117942714e-03 5.66 -6.670310385e-03 -6.670310385e-03 5.68 -6.260672591e-03 -6.260672591e-03 5.70 -5.884455706e-03 -5.884455706e-03 5.72 -5.537601385e-03 -5.537601385e-03 5.74 -5.216519674e-03 -5.216519674e-03 5.76 -4.918045386e-03 -4.918045386e-03 5.78 -4.639397935e-03 -4.639397935e-03 5.80 -4.378144716e-03 -4.378144716e-03 5.82 -4.132168008e-03 -4.132168008e-03 5.84 -3.899635287e-03 -3.899635287e-03 5.86 -3.678972695e-03 -3.678972695e-03 5.88 -3.468841356e-03 -3.468841356e-03 5.90 -3.268116131e-03 -3.268116131e-03 5.92 -3.075866337e-03 -3.075866337e-03 5.94 -2.891384323e-03 -2.891384323e-03 5.96 -2.714335219e-03 -2.714335219e-03 5.98 -2.544246526e-03 -2.544246526e-03 6.00 -2.380723561e-03 -2.380723561e-03