# 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 = Cu2MoW # 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 2.174345756e+02 2.174345756e+02 1.30 2.001264767e+02 2.001264767e+02 1.32 1.842019976e+02 1.842019976e+02 1.34 1.695387247e+02 1.695387247e+02 1.36 1.560197231e+02 1.560197231e+02 1.38 1.435357023e+02 1.435357023e+02 1.40 1.319884502e+02 1.319884502e+02 1.42 1.212935113e+02 1.212935113e+02 1.44 1.113802032e+02 1.113802032e+02 1.46 1.021890540e+02 1.021890540e+02 1.48 9.366837990e+01 9.366837990e+01 1.50 8.577170041e+01 8.577170041e+01 1.52 7.845651322e+01 7.845651322e+01 1.54 7.168383235e+01 7.168383235e+01 1.56 6.541776150e+01 6.541776150e+01 1.58 5.962500091e+01 5.962500091e+01 1.60 5.427455389e+01 5.427455389e+01 1.62 4.933765277e+01 4.933765277e+01 1.64 4.478762214e+01 4.478762214e+01 1.66 4.059947962e+01 4.059947962e+01 1.68 3.674933117e+01 3.674933117e+01 1.70 3.321373783e+01 3.321373783e+01 1.72 2.996971501e+01 2.996971501e+01 1.74 2.699384252e+01 2.699384252e+01 1.76 2.426428605e+01 2.426428605e+01 1.78 2.175772121e+01 2.175772121e+01 1.80 1.945114356e+01 1.945114356e+01 1.82 1.732348358e+01 1.732348358e+01 1.84 1.535657311e+01 1.535657311e+01 1.86 1.353552755e+01 1.353552755e+01 1.88 1.184855102e+01 1.184855102e+01 1.90 1.028641845e+01 1.028641845e+01 1.92 8.841755100e+00 8.841755100e+00 1.94 7.508327249e+00 7.508327249e+00 1.96 6.280485277e+00 6.280485277e+00 1.98 5.152795794e+00 5.152795794e+00 2.00 4.119825868e+00 4.119825868e+00 2.02 3.176023340e+00 3.176023340e+00 2.04 2.315655959e+00 2.315655959e+00 2.06 1.532798086e+00 1.532798086e+00 2.08 8.213693486e-01 8.213693486e-01 2.10 1.752305798e-01 1.752305798e-01 2.12 -4.116687073e-01 -4.116687073e-01 2.14 -9.451138756e-01 -9.451138756e-01 2.16 -1.430455566e+00 -1.430455566e+00 2.18 -1.872484078e+00 -1.872484078e+00 2.20 -2.275372153e+00 -2.275372153e+00 2.22 -2.642690086e+00 -2.642690086e+00 2.24 -2.977478961e+00 -2.977478961e+00 2.26 -3.282358540e+00 -3.282358540e+00 2.28 -3.559604134e+00 -3.559604134e+00 2.30 -3.811262733e+00 -3.811262733e+00 2.32 -4.039442441e+00 -4.039442441e+00 2.34 -4.246108852e+00 -4.246108852e+00 2.36 -4.433054949e+00 -4.433054949e+00 2.38 -4.601871559e+00 -4.601871559e+00 2.40 -4.753929079e+00 -4.753929079e+00 2.42 -4.890362461e+00 -4.890362461e+00 2.44 -5.011900761e+00 -5.011900761e+00 2.46 -5.118966722e+00 -5.118966722e+00 2.48 -5.212094394e+00 -5.212094394e+00 2.50 -5.291948191e+00 -5.291948191e+00 2.52 -5.359147070e+00 -5.359147070e+00 2.54 -5.414266347e+00 -5.414266347e+00 2.56 -5.457838712e+00 -5.457838712e+00 2.58 -5.490357299e+00 -5.490357299e+00 2.60 -5.512281262e+00 -5.512281262e+00 2.62 -5.523940832e+00 -5.523940832e+00 2.64 -5.525505017e+00 -5.525505017e+00 2.66 -5.517180140e+00 -5.517180140e+00 2.68 -5.499231233e+00 -5.499231233e+00 2.70 -5.471979704e+00 -5.471979704e+00 2.72 -5.435794618e+00 -5.435794618e+00 2.74 -5.391077938e+00 -5.391077938e+00 2.76 -5.338247037e+00 -5.338247037e+00 2.78 -5.277719728e+00 -5.277719728e+00 2.80 -5.209906912e+00 -5.209906912e+00 2.82 -5.135215753e+00 -5.135215753e+00 2.84 -5.054308650e+00 -5.054308650e+00 2.86 -4.967762041e+00 -4.967762041e+00 2.88 -4.875678809e+00 -4.875678809e+00 2.90 -4.778310342e+00 -4.778310342e+00 2.92 -4.676062530e+00 -4.676062530e+00 2.94 -4.569486311e+00 -4.569486311e+00 2.96 -4.459257993e+00 -4.459257993e+00 2.98 -4.346148485e+00 -4.346148485e+00 3.00 -4.230984848e+00 -4.230984848e+00 3.02 -4.114637326e+00 -4.114637326e+00 3.04 -3.997953533e+00 -3.997953533e+00 3.06 -3.881682215e+00 -3.881682215e+00 3.08 -3.766435492e+00 -3.766435492e+00 3.10 -3.652664186e+00 -3.652664186e+00 3.12 -3.540647285e+00 -3.540647285e+00 3.14 -3.430495412e+00 -3.430495412e+00 3.16 -3.322166467e+00 -3.322166467e+00 3.18 -3.215490559e+00 -3.215490559e+00 3.20 -3.110201036e+00 -3.110201036e+00 3.22 -3.005968693e+00 -3.005968693e+00 3.24 -2.902436782e+00 -2.902436782e+00 3.26 -2.799255055e+00 -2.799255055e+00 3.28 -2.696111478e+00 -2.696111478e+00 3.30 -2.592760504e+00 -2.592760504e+00 3.32 -2.489046801e+00 -2.489046801e+00 3.34 -2.384923321e+00 -2.384923321e+00 3.36 -2.280462567e+00 -2.280462567e+00 3.38 -2.175860061e+00 -2.175860061e+00 3.40 -2.071429372e+00 -2.071429372e+00 3.42 -1.967588613e+00 -1.967588613e+00 3.44 -1.864839087e+00 -1.864839087e+00 3.46 -1.763737546e+00 -1.763737546e+00 3.48 -1.664864320e+00 -1.664864320e+00 3.50 -1.568790078e+00 -1.568790078e+00 3.52 -1.476044206e+00 -1.476044206e+00 3.54 -1.387087574e+00 -1.387087574e+00 3.56 -1.302291856e+00 -1.302291856e+00 3.58 -1.221926726e+00 -1.221926726e+00 3.60 -1.146155251e+00 -1.146155251e+00 3.62 -1.075036889e+00 -1.075036889e+00 3.64 -1.008536815e+00 -1.008536815e+00 3.66 -9.465398350e-01 -9.465398350e-01 3.68 -8.888670606e-01 -8.888670606e-01 3.70 -8.352935903e-01 -8.352935903e-01 3.72 -7.855657040e-01 -7.855657040e-01 3.74 -7.394164164e-01 -7.394164164e-01 3.76 -6.965785625e-01 -6.965785625e-01 3.78 -6.567949017e-01 -6.567949017e-01 3.80 -6.198250163e-01 -6.198250163e-01 3.82 -5.854490426e-01 -5.854490426e-01 3.84 -5.534685295e-01 -5.534685295e-01 3.86 -5.237049594e-01 -5.237049594e-01 3.88 -4.959966457e-01 -4.959966457e-01 3.90 -4.701948240e-01 -4.701948240e-01 3.92 -4.461597189e-01 -4.461597189e-01 3.94 -4.237572216e-01 -4.237572216e-01 3.96 -4.028565678e-01 -4.028565678e-01 3.98 -3.833291369e-01 -3.833291369e-01 4.00 -3.650482604e-01 -3.650482604e-01 4.02 -3.478897777e-01 -3.478897777e-01 4.04 -3.317330251e-01 -3.317330251e-01 4.06 -3.164619660e-01 -3.164619660e-01 4.08 -3.019662528e-01 -3.019662528e-01 4.10 -2.881420975e-01 -2.881420975e-01 4.12 -2.748929251e-01 -2.748929251e-01 4.14 -2.621298217e-01 -2.621298217e-01 4.16 -2.497714979e-01 -2.497714979e-01 4.18 -2.377455407e-01 -2.377455407e-01 4.20 -2.259882860e-01 -2.259882860e-01 4.22 -2.144449748e-01 -2.144449748e-01 4.24 -2.030704090e-01 -2.030704090e-01 4.26 -1.918296904e-01 -1.918296904e-01 4.28 -1.806990107e-01 -1.806990107e-01 4.30 -1.696664081e-01 -1.696664081e-01 4.32 -1.587323615e-01 -1.587323615e-01 4.34 -1.479100585e-01 -1.479100585e-01 4.36 -1.372251625e-01 -1.372251625e-01 4.38 -1.267149207e-01 -1.267149207e-01 4.40 -1.164265104e-01 -1.164265104e-01 4.42 -1.064146058e-01 -1.064146058e-01 4.44 -9.673826214e-02 -9.673826214e-02 4.46 -8.745733214e-02 -8.745733214e-02 4.48 -7.862872484e-02 -7.862872484e-02 4.50 -7.030286858e-02 -7.030286858e-02 4.52 -6.252073024e-02 -6.252073024e-02 4.54 -5.531166984e-02 -5.531166984e-02 4.56 -4.869229028e-02 -4.869229028e-02 4.58 -4.266630987e-02 -4.266630987e-02 4.60 -3.722534653e-02 -3.722534653e-02 4.62 -3.235040771e-02 -3.235040771e-02 4.64 -2.801384194e-02 -2.801384194e-02 4.66 -2.418150889e-02 -2.418150889e-02 4.68 -2.081494906e-02 -2.081494906e-02 4.70 -1.787336363e-02 -1.787336363e-02 4.72 -1.531488202e-02 -1.531488202e-02 4.74 -1.309884636e-02 -1.309884636e-02 4.76 -1.118667002e-02 -1.118667002e-02 4.78 -9.542014057e-03 -9.542014057e-03 4.80 -8.131317177e-03 -8.131317177e-03 4.82 -6.924068606e-03 -6.924068606e-03 4.84 -5.892886011e-03 -5.892886011e-03 4.86 -5.013454614e-03 -5.013454614e-03 4.88 -4.264372597e-03 -4.264372597e-03 4.90 -3.626939183e-03 -3.626939183e-03 4.92 -3.084912622e-03 -3.084912622e-03 4.94 -2.624257779e-03 -2.624257779e-03 4.96 -2.232896954e-03 -2.232896954e-03 4.98 -1.900472736e-03 -1.900472736e-03 5.00 -1.618128196e-03 -1.618128196e-03 5.02 -1.378307088e-03 -1.378307088e-03 5.04 -1.174574949e-03 -1.174574949e-03 5.06 -1.001460804e-03 -1.001460804e-03 5.08 -8.543183946e-04 -8.543183946e-04 5.10 -7.292054400e-04 -7.292054400e-04 5.12 -6.227792312e-04 -6.227792312e-04 5.14 -5.322067833e-04 -5.322067833e-04 5.16 -4.550878328e-04 -4.550878328e-04 5.18 -3.893890564e-04 -3.893890564e-04 5.20 -3.333880243e-04 -3.333880243e-04 5.22 -2.856255495e-04 -2.856255495e-04 5.24 -2.448652445e-04 -2.448652445e-04 5.26 -2.100592412e-04 -2.100592412e-04 5.28 -1.803191654e-04 -1.803191654e-04 5.30 -1.548915790e-04 -1.548915790e-04 5.32 -1.331372148e-04 -1.331372148e-04 5.34 -1.145134247e-04 -1.145134247e-04 5.36 -9.855934753e-05 -9.855934753e-05 5.38 -8.488337567e-05 -8.488337567e-05 5.40 -7.315256509e-05 -7.315256509e-05 5.42 -6.308368550e-05 -6.308368550e-05 5.44 -5.443565555e-05 -5.443565555e-05 5.46 -4.700314688e-05 -4.700314688e-05 5.48 -4.061117463e-05 -4.061117463e-05 5.50 -3.511052055e-05 -3.511052055e-05 5.52 -3.037385885e-05 -3.037385885e-05 5.54 -2.629247543e-05 -2.629247543e-05 5.56 -2.277348819e-05 -2.277348819e-05 5.58 -1.973749068e-05 -1.973749068e-05 5.60 -1.711655348e-05 -1.711655348e-05 5.62 -1.485252818e-05 -1.485252818e-05 5.64 -1.289560709e-05 -1.289560709e-05 5.66 -1.120309967e-05 -1.120309967e-05 5.68 -9.738392186e-06 -9.738392186e-06 5.70 -8.470062807e-06 -8.470062807e-06 5.72 -7.371128325e-06 -7.371128325e-06 5.74 -6.418402606e-06 -6.418402606e-06 5.76 -5.591949813e-06 -5.591949813e-06 5.78 -4.874618121e-06 -4.874618121e-06 5.80 -4.251641827e-06 -4.251641827e-06 5.82 -3.710301613e-06 -3.710301613e-06 5.84 -3.239634267e-06 -3.239634267e-06 5.86 -2.830184520e-06 -2.830184520e-06 5.88 -2.473792751e-06 -2.473792751e-06 5.90 -2.163413254e-06 -2.163413254e-06 5.92 -1.892958591e-06 -1.892958591e-06 5.94 -1.657166178e-06 -1.657166178e-06 5.96 -1.451483883e-06 -1.451483883e-06 5.98 -1.271971845e-06 -1.271971845e-06 6.00 -1.115218180e-06 -1.115218180e-06