# 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 = CoMg2Mo # 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 3.283623871e+02 3.283623871e+02 1.30 3.037224231e+02 3.037224231e+02 1.32 2.809702500e+02 2.809702500e+02 1.34 2.599508046e+02 2.599508046e+02 1.36 2.405208579e+02 2.405208579e+02 1.38 2.225488382e+02 2.225488382e+02 1.40 2.059148242e+02 2.059148242e+02 1.42 1.905102132e+02 1.905102132e+02 1.44 1.762368417e+02 1.762368417e+02 1.46 1.630058882e+02 1.630058882e+02 1.48 1.507370045e+02 1.507370045e+02 1.50 1.393576211e+02 1.393576211e+02 1.52 1.288020926e+02 1.288020926e+02 1.54 1.190106833e+02 1.190106833e+02 1.56 1.099286975e+02 1.099286975e+02 1.58 1.015058332e+02 1.015058332e+02 1.60 9.369561168e+01 9.369561168e+01 1.62 8.645497801e+01 8.645497801e+01 1.64 7.974574767e+01 7.974574767e+01 1.66 7.353061622e+01 7.353061622e+01 1.68 6.777426995e+01 6.777426995e+01 1.70 6.244266366e+01 6.244266366e+01 1.72 5.750423944e+01 5.750423944e+01 1.74 5.292970898e+01 5.292970898e+01 1.76 4.869167583e+01 4.869167583e+01 1.78 4.476452342e+01 4.476452342e+01 1.80 4.112442111e+01 4.112442111e+01 1.82 3.774939255e+01 3.774939255e+01 1.84 3.461936600e+01 3.461936600e+01 1.86 3.171617584e+01 3.171617584e+01 1.88 2.902346726e+01 2.902346726e+01 1.90 2.652649797e+01 2.652649797e+01 1.92 2.421186402e+01 2.421186402e+01 1.94 2.206721987e+01 2.206721987e+01 1.96 2.008105737e+01 2.008105737e+01 1.98 1.824257277e+01 1.824257277e+01 2.00 1.654159992e+01 1.654159992e+01 2.02 1.496856740e+01 1.496856740e+01 2.04 1.351444876e+01 1.351444876e+01 2.06 1.217069874e+01 1.217069874e+01 2.08 1.092919398e+01 1.092919398e+01 2.10 9.782205862e+00 9.782205862e+00 2.12 8.722415320e+00 8.722415320e+00 2.14 7.742960695e+00 7.742960695e+00 2.16 6.837497224e+00 6.837497224e+00 2.18 6.000239268e+00 6.000239268e+00 2.20 5.225970938e+00 5.225970938e+00 2.22 4.510017297e+00 4.510017297e+00 2.24 3.848189806e+00 3.848189806e+00 2.26 3.236719867e+00 3.236719867e+00 2.28 2.672198262e+00 2.672198262e+00 2.30 2.151664960e+00 2.151664960e+00 2.32 1.672130781e+00 1.672130781e+00 2.34 1.230739826e+00 1.230739826e+00 2.36 8.248608406e-01 8.248608406e-01 2.38 4.520489804e-01 4.520489804e-01 2.40 1.100182339e-01 1.100182339e-01 2.42 -2.033790089e-01 -2.033790089e-01 2.44 -4.900977865e-01 -4.900977865e-01 2.46 -7.517888308e-01 -7.517888308e-01 2.48 -9.900527962e-01 -9.900527962e-01 2.50 -1.206409708e+00 -1.206409708e+00 2.52 -1.402271811e+00 -1.402271811e+00 2.54 -1.578996380e+00 -1.578996380e+00 2.56 -1.737879219e+00 -1.737879219e+00 2.58 -1.880150523e+00 -1.880150523e+00 2.60 -2.006970753e+00 -2.006970753e+00 2.62 -2.119424605e+00 -2.119424605e+00 2.64 -2.218486240e+00 -2.218486240e+00 2.66 -2.304990185e+00 -2.304990185e+00 2.68 -2.379701480e+00 -2.379701480e+00 2.70 -2.443329922e+00 -2.443329922e+00 2.72 -2.496539298e+00 -2.496539298e+00 2.74 -2.539956395e+00 -2.539956395e+00 2.76 -2.574177884e+00 -2.574177884e+00 2.78 -2.599774712e+00 -2.599774712e+00 2.80 -2.617296369e+00 -2.617296369e+00 2.82 -2.627272515e+00 -2.627272515e+00 2.84 -2.630218103e+00 -2.630218103e+00 2.86 -2.626638042e+00 -2.626638042e+00 2.88 -2.617032881e+00 -2.617032881e+00 2.90 -2.601904453e+00 -2.601904453e+00 2.92 -2.581760544e+00 -2.581760544e+00 2.94 -2.557117619e+00 -2.557117619e+00 2.96 -2.528500706e+00 -2.528500706e+00 2.98 -2.496439822e+00 -2.496439822e+00 3.00 -2.461462653e+00 -2.461462653e+00 3.02 -2.424083706e+00 -2.424083706e+00 3.04 -2.384790540e+00 -2.384790540e+00 3.06 -2.344030283e+00 -2.344030283e+00 3.08 -2.302194550e+00 -2.302194550e+00 3.10 -2.259611042e+00 -2.259611042e+00 3.12 -2.216538586e+00 -2.216538586e+00 3.14 -2.173171189e+00 -2.173171189e+00 3.16 -2.129642138e+00 -2.129642138e+00 3.18 -2.086037290e+00 -2.086037290e+00 3.20 -2.042406950e+00 -2.042406950e+00 3.22 -1.998801800e+00 -1.998801800e+00 3.24 -1.955261187e+00 -1.955261187e+00 3.26 -1.911729220e+00 -1.911729220e+00 3.28 -1.868159123e+00 -1.868159123e+00 3.30 -1.824521744e+00 -1.824521744e+00 3.32 -1.780808089e+00 -1.780808089e+00 3.34 -1.737017668e+00 -1.737017668e+00 3.36 -1.693026679e+00 -1.693026679e+00 3.38 -1.648662517e+00 -1.648662517e+00 3.40 -1.603813465e+00 -1.603813465e+00 3.42 -1.558433326e+00 -1.558433326e+00 3.44 -1.512541474e+00 -1.512541474e+00 3.46 -1.466220429e+00 -1.466220429e+00 3.48 -1.419608995e+00 -1.419608995e+00 3.50 -1.372891591e+00 -1.372891591e+00 3.52 -1.326284533e+00 -1.326284533e+00 3.54 -1.280020653e+00 -1.280020653e+00 3.56 -1.234333919e+00 -1.234333919e+00 3.58 -1.189445582e+00 -1.189445582e+00 3.60 -1.145553057e+00 -1.145553057e+00 3.62 -1.102822194e+00 -1.102822194e+00 3.64 -1.061383101e+00 -1.061383101e+00 3.66 -1.021329216e+00 -1.021329216e+00 3.68 -9.827190465e-01 -9.827190465e-01 3.70 -9.455798187e-01 -9.455798187e-01 3.72 -9.099123147e-01 -9.099123147e-01 3.74 -8.756962122e-01 -8.756962122e-01 3.76 -8.428953992e-01 -8.428953992e-01 3.78 -8.114628675e-01 -8.114628675e-01 3.80 -7.813449241e-01 -7.813449241e-01 3.82 -7.524845722e-01 -7.524845722e-01 3.84 -7.248240096e-01 -7.248240096e-01 3.86 -6.983062721e-01 -6.983062721e-01 3.88 -6.728761220e-01 -6.728761220e-01 3.90 -6.484803440e-01 -6.484803440e-01 3.92 -6.250674245e-01 -6.250674245e-01 3.94 -6.025882067e-01 -6.025882067e-01 3.96 -5.809941216e-01 -5.809941216e-01 3.98 -5.602380698e-01 -5.602380698e-01 4.00 -5.402741457e-01 -5.402741457e-01 4.02 -5.210578054e-01 -5.210578054e-01 4.04 -5.025461551e-01 -5.025461551e-01 4.06 -4.846983043e-01 -4.846983043e-01 4.08 -4.674757354e-01 -4.674757354e-01 4.10 -4.508420284e-01 -4.508420284e-01 4.12 -4.347658612e-01 -4.347658612e-01 4.14 -4.192170902e-01 -4.192170902e-01 4.16 -4.041699985e-01 -4.041699985e-01 4.18 -3.896027055e-01 -3.896027055e-01 4.20 -3.754972862e-01 -3.754972862e-01 4.22 -3.618397542e-01 -3.618397542e-01 4.24 -3.486198600e-01 -3.486198600e-01 4.26 -3.358306600e-01 -3.358306600e-01 4.28 -3.234678411e-01 -3.234678411e-01 4.30 -3.115288254e-01 -3.115288254e-01 4.32 -3.000117298e-01 -3.000117298e-01 4.34 -2.889142937e-01 -2.889142937e-01 4.36 -2.782329081e-01 -2.782329081e-01 4.38 -2.679618677e-01 -2.679618677e-01 4.40 -2.580929268e-01 -2.580929268e-01 4.42 -2.486151823e-01 -2.486151823e-01 4.44 -2.395152512e-01 -2.395152512e-01 4.46 -2.307776669e-01 -2.307776669e-01 4.48 -2.223854024e-01 -2.223854024e-01 4.50 -2.143204285e-01 -2.143204285e-01 4.52 -2.065642373e-01 -2.065642373e-01 4.54 -1.990982866e-01 -1.990982866e-01 4.56 -1.919043440e-01 -1.919043440e-01 4.58 -1.849647332e-01 -1.849647332e-01 4.60 -1.782624942e-01 -1.782624942e-01 4.62 -1.717814799e-01 -1.717814799e-01 4.64 -1.655064101e-01 -1.655064101e-01 4.66 -1.594229062e-01 -1.594229062e-01 4.68 -1.535175232e-01 -1.535175232e-01 4.70 -1.477777963e-01 -1.477777963e-01 4.72 -1.421923111e-01 -1.421923111e-01 4.74 -1.367508040e-01 -1.367508040e-01 4.76 -1.314442949e-01 -1.314442949e-01 4.78 -1.262652460e-01 -1.262652460e-01 4.80 -1.212073358e-01 -1.212073358e-01 4.82 -1.162673063e-01 -1.162673063e-01 4.84 -1.114424776e-01 -1.114424776e-01 4.86 -1.067326804e-01 -1.067326804e-01 4.88 -1.021397679e-01 -1.021397679e-01 4.90 -9.766749697e-02 -9.766749697e-02 4.92 -9.332127218e-02 -9.332127218e-02 4.94 -8.910774923e-02 -8.910774923e-02 4.96 -8.503429697e-02 -8.503429697e-02 4.98 -8.110839117e-02 -8.110839117e-02 5.00 -7.733696997e-02 -7.733696997e-02 5.02 -7.372582242e-02 -7.372582242e-02 5.04 -7.027907599e-02 -7.027907599e-02 5.06 -6.699883469e-02 -6.699883469e-02 5.08 -6.388499719e-02 -6.388499719e-02 5.10 -6.093507824e-02 -6.093507824e-02 5.12 -5.814405243e-02 -5.814405243e-02 5.14 -5.550614709e-02 -5.550614709e-02 5.16 -5.301421466e-02 -5.301421466e-02 5.18 -5.066002303e-02 -5.066002303e-02 5.20 -4.843468269e-02 -4.843468269e-02 5.22 -4.632903461e-02 -4.632903461e-02 5.24 -4.433398038e-02 -4.433398038e-02 5.26 -4.244074724e-02 -4.244074724e-02 5.28 -4.064108807e-02 -4.064108807e-02 5.30 -3.892742172e-02 -3.892742172e-02 5.32 -3.729292108e-02 -3.729292108e-02 5.34 -3.573155721e-02 -3.573155721e-02 5.36 -3.423810698e-02 -3.423810698e-02 5.38 -3.280812924e-02 -3.280812924e-02 5.40 -3.143791611e-02 -3.143791611e-02 5.42 -3.012442279e-02 -3.012442279e-02 5.44 -2.886517943e-02 -2.886517943e-02 5.46 -2.765818985e-02 -2.765818985e-02 5.48 -2.650182189e-02 -2.650182189e-02 5.50 -2.539469549e-02 -2.539469549e-02 5.52 -2.433557486e-02 -2.433557486e-02 5.54 -2.332327117e-02 -2.332327117e-02 5.56 -2.235656124e-02 -2.235656124e-02 5.58 -2.143412633e-02 -2.143412633e-02 5.60 -2.055451283e-02 -2.055451283e-02 5.62 -1.971611464e-02 -1.971611464e-02 5.64 -1.891717476e-02 -1.891717476e-02 5.66 -1.815580237e-02 -1.815580237e-02 5.68 -1.743000072e-02 -1.743000072e-02 5.70 -1.673770111e-02 -1.673770111e-02 5.72 -1.607679870e-02 -1.607679870e-02 5.74 -1.544518637e-02 -1.544518637e-02 5.76 -1.484075621e-02 -1.484075621e-02 5.78 -1.426147181e-02 -1.426147181e-02 5.80 -1.370538969e-02 -1.370538969e-02 5.82 -1.317065193e-02 -1.317065193e-02 5.84 -1.265549522e-02 -1.265549522e-02 5.86 -1.215825579e-02 -1.215825579e-02 5.88 -1.167737143e-02 -1.167737143e-02 5.90 -1.121138154e-02 -1.121138154e-02 5.92 -1.075892607e-02 -1.075892607e-02 5.94 -1.031874438e-02 -1.031874438e-02 5.96 -9.889674497e-03 -9.889674497e-03 5.98 -9.470653460e-03 -9.470653460e-03 6.00 -9.060718991e-03 -9.060718991e-03