# 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 = Ag2FeNi # 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 2.062369202e+02 2.062369202e+02 1.30 1.897156931e+02 1.897156931e+02 1.32 1.745046750e+02 1.745046750e+02 1.34 1.604917292e+02 1.604917292e+02 1.36 1.475762095e+02 1.475762095e+02 1.38 1.356683305e+02 1.356683305e+02 1.40 1.246875379e+02 1.246875379e+02 1.42 1.145607735e+02 1.145607735e+02 1.44 1.052210784e+02 1.052210784e+02 1.46 9.660659725e+01 9.660659725e+01 1.48 8.866008930e+01 8.866008930e+01 1.50 8.132886818e+01 8.132886818e+01 1.52 7.456477171e+01 7.456477171e+01 1.54 6.832381339e+01 6.832381339e+01 1.56 6.256555875e+01 6.256555875e+01 1.58 5.725253156e+01 5.725253156e+01 1.60 5.234986199e+01 5.234986199e+01 1.62 4.782517818e+01 4.782517818e+01 1.64 4.365119140e+01 4.365119140e+01 1.66 3.980175283e+01 3.980175283e+01 1.68 3.625144912e+01 3.625144912e+01 1.70 3.297688690e+01 3.297688690e+01 1.72 2.995652792e+01 2.995652792e+01 1.74 2.717052741e+01 2.717052741e+01 1.76 2.460059333e+01 2.460059333e+01 1.78 2.222991656e+01 2.222991656e+01 1.80 2.004316648e+01 2.004316648e+01 1.82 1.802647948e+01 1.802647948e+01 1.84 1.616736674e+01 1.616736674e+01 1.86 1.445452214e+01 1.445452214e+01 1.88 1.287756986e+01 1.287756986e+01 1.90 1.142681588e+01 1.142681588e+01 1.92 1.009305470e+01 1.009305470e+01 1.94 8.867457801e+00 8.867457801e+00 1.96 7.741549114e+00 7.741549114e+00 1.98 6.707253904e+00 6.707253904e+00 2.00 5.756990463e+00 5.756990463e+00 2.02 4.883765751e+00 4.883765751e+00 2.04 4.081240767e+00 4.081240767e+00 2.06 3.343745042e+00 3.343745042e+00 2.08 2.666238129e+00 2.666238129e+00 2.10 2.044232696e+00 2.044232696e+00 2.12 1.473701526e+00 1.473701526e+00 2.14 9.509878273e-01 9.509878273e-01 2.16 4.727304100e-01 4.727304100e-01 2.18 3.580785219e-02 3.580785219e-02 2.20 -3.626991971e-01 -3.626991971e-01 2.22 -7.255311647e-01 -7.255311647e-01 2.24 -1.055262733e+00 -1.055262733e+00 2.26 -1.354310678e+00 -1.354310678e+00 2.28 -1.624940663e+00 -1.624940663e+00 2.30 -1.869275964e+00 -1.869275964e+00 2.32 -2.089307896e+00 -2.089307896e+00 2.34 -2.286903746e+00 -2.286903746e+00 2.36 -2.463807468e+00 -2.463807468e+00 2.38 -2.621633156e+00 -2.621633156e+00 2.40 -2.761856268e+00 -2.761856268e+00 2.42 -2.885811913e+00 -2.885811913e+00 2.44 -2.994709203e+00 -2.994709203e+00 2.46 -3.089652138e+00 -3.089652138e+00 2.48 -3.171664343e+00 -3.171664343e+00 2.50 -3.241711491e+00 -3.241711491e+00 2.52 -3.300716927e+00 -3.300716927e+00 2.54 -3.349495863e+00 -3.349495863e+00 2.56 -3.388708627e+00 -3.388708627e+00 2.58 -3.419007294e+00 -3.419007294e+00 2.60 -3.441049980e+00 -3.441049980e+00 2.62 -3.455489242e+00 -3.455489242e+00 2.64 -3.462958305e+00 -3.462958305e+00 2.66 -3.464057284e+00 -3.464057284e+00 2.68 -3.459390200e+00 -3.459390200e+00 2.70 -3.449615041e+00 -3.449615041e+00 2.72 -3.434860513e+00 -3.434860513e+00 2.74 -3.415235773e+00 -3.415235773e+00 2.76 -3.390909116e+00 -3.390909116e+00 2.78 -3.362096126e+00 -3.362096126e+00 2.80 -3.329046794e+00 -3.329046794e+00 2.82 -3.292032602e+00 -3.292032602e+00 2.84 -3.251340130e+00 -3.251340130e+00 2.86 -3.207274306e+00 -3.207274306e+00 2.88 -3.160135045e+00 -3.160135045e+00 2.90 -3.110209628e+00 -3.110209628e+00 2.92 -3.057771324e+00 -3.057771324e+00 2.94 -3.003079260e+00 -3.003079260e+00 2.96 -2.946379568e+00 -2.946379568e+00 2.98 -2.887907756e+00 -2.887907756e+00 3.00 -2.827891907e+00 -2.827891907e+00 3.02 -2.766555857e+00 -2.766555857e+00 3.04 -2.704121327e+00 -2.704121327e+00 3.06 -2.640808127e+00 -2.640808127e+00 3.08 -2.576832096e+00 -2.576832096e+00 3.10 -2.512401356e+00 -2.512401356e+00 3.12 -2.447712070e+00 -2.447712070e+00 3.14 -2.382945291e+00 -2.382945291e+00 3.16 -2.318266049e+00 -2.318266049e+00 3.18 -2.253825113e+00 -2.253825113e+00 3.20 -2.189762841e+00 -2.189762841e+00 3.22 -2.126213934e+00 -2.126213934e+00 3.24 -2.063311691e+00 -2.063311691e+00 3.26 -2.001190598e+00 -2.001190598e+00 3.28 -1.939986614e+00 -1.939986614e+00 3.30 -1.879835112e+00 -1.879835112e+00 3.32 -1.820866933e+00 -1.820866933e+00 3.34 -1.763203355e+00 -1.763203355e+00 3.36 -1.706950903e+00 -1.706950903e+00 3.38 -1.652196843e+00 -1.652196843e+00 3.40 -1.599006002e+00 -1.599006002e+00 3.42 -1.547419252e+00 -1.547419252e+00 3.44 -1.497453671e+00 -1.497453671e+00 3.46 -1.449104191e+00 -1.449104191e+00 3.48 -1.402346351e+00 -1.402346351e+00 3.50 -1.357139731e+00 -1.357139731e+00 3.52 -1.313431643e+00 -1.313431643e+00 3.54 -1.271160757e+00 -1.271160757e+00 3.56 -1.230260391e+00 -1.230260391e+00 3.58 -1.190661328e+00 -1.190661328e+00 3.60 -1.152294099e+00 -1.152294099e+00 3.62 -1.115090734e+00 -1.115090734e+00 3.64 -1.078986062e+00 -1.078986062e+00 3.66 -1.043918639e+00 -1.043918639e+00 3.68 -1.009831450e+00 -1.009831450e+00 3.70 -9.766724676e-01 -9.766724676e-01 3.72 -9.443951807e-01 -9.443951807e-01 3.74 -9.129591286e-01 -9.129591286e-01 3.76 -8.823304431e-01 -8.823304431e-01 3.78 -8.524823299e-01 -8.524823299e-01 3.80 -8.233953723e-01 -8.233953723e-01 3.82 -7.950575007e-01 -7.950575007e-01 3.84 -7.674634733e-01 -7.674634733e-01 3.86 -7.406137596e-01 -7.406137596e-01 3.88 -7.145128153e-01 -7.145128153e-01 3.90 -6.891668621e-01 -6.891668621e-01 3.92 -6.645814080e-01 -6.645814080e-01 3.94 -6.407588338e-01 -6.407588338e-01 3.96 -6.176963652e-01 -6.176963652e-01 3.98 -5.953847056e-01 -5.953847056e-01 4.00 -5.738074540e-01 -5.738074540e-01 4.02 -5.529413019e-01 -5.529413019e-01 4.04 -5.327568785e-01 -5.327568785e-01 4.06 -5.132200452e-01 -5.132200452e-01 4.08 -4.942934237e-01 -4.942934237e-01 4.10 -4.759379759e-01 -4.759379759e-01 4.12 -4.581145181e-01 -4.581145181e-01 4.14 -4.407850607e-01 -4.407850607e-01 4.16 -4.239139936e-01 -4.239139936e-01 4.18 -4.074690755e-01 -4.074690755e-01 4.20 -3.914222495e-01 -3.914222495e-01 4.22 -3.757502863e-01 -3.757502863e-01 4.24 -3.604352487e-01 -3.604352487e-01 4.26 -3.454647611e-01 -3.454647611e-01 4.28 -3.308320662e-01 -3.308320662e-01 4.30 -3.165358539e-01 -3.165358539e-01 4.32 -3.025798594e-01 -3.025798594e-01 4.34 -2.889722501e-01 -2.889722501e-01 4.36 -2.757248324e-01 -2.757248324e-01 4.38 -2.628521289e-01 -2.628521289e-01 4.40 -2.503703718e-01 -2.503703718e-01 4.42 -2.382964544e-01 -2.382964544e-01 4.44 -2.266468708e-01 -2.266468708e-01 4.46 -2.154366617e-01 -2.154366617e-01 4.48 -2.046783896e-01 -2.046783896e-01 4.50 -1.943811733e-01 -1.943811733e-01 4.52 -1.845498355e-01 -1.845498355e-01 4.54 -1.751842261e-01 -1.751842261e-01 4.56 -1.662787947e-01 -1.662787947e-01 4.58 -1.578224660e-01 -1.578224660e-01 4.60 -1.497988393e-01 -1.497988393e-01 4.62 -1.421867097e-01 -1.421867097e-01 4.64 -1.349608552e-01 -1.349608552e-01 4.66 -1.280929834e-01 -1.280929834e-01 4.68 -1.215523108e-01 -1.215523108e-01 4.70 -1.153080009e-01 -1.153080009e-01 4.72 -1.093295227e-01 -1.093295227e-01 4.74 -1.035872806e-01 -1.035872806e-01 4.76 -9.805353603e-02 -9.805353603e-02 4.78 -9.270316539e-02 -9.270316539e-02 4.80 -8.751426493e-02 -8.751426493e-02 4.82 -8.246861969e-02 -8.246861969e-02 4.84 -7.755202775e-02 -7.755202775e-02 4.86 -7.275450726e-02 -7.275450726e-02 4.88 -6.807036288e-02 -6.807036288e-02 4.90 -6.349810996e-02 -6.349810996e-02 4.92 -5.904024374e-02 -5.904024374e-02 4.94 -5.470284486e-02 -5.470284486e-02 4.96 -5.049502115e-02 -5.049502115e-02 4.98 -4.642819878e-02 -4.642819878e-02 5.00 -4.251529165e-02 -4.251529165e-02 5.02 -3.876979466e-02 -3.876979466e-02 5.04 -3.520485928e-02 -3.520485928e-02 5.06 -3.183241675e-02 -3.183241675e-02 5.08 -2.866241341e-02 -2.866241341e-02 5.10 -2.570221021e-02 -2.570221021e-02 5.12 -2.295618242e-02 -2.295618242e-02 5.14 -2.042553966e-02 -2.042553966e-02 5.16 -1.810835243e-02 -1.810835243e-02 5.18 -1.599976086e-02 -1.599976086e-02 5.20 -1.409211934e-02 -1.409211934e-02 5.22 -1.237553608e-02 -1.237553608e-02 5.24 -1.083913997e-02 -1.083913997e-02 5.26 -9.470802195e-03 -9.470802195e-03 5.28 -8.257616675e-03 -8.257616675e-03 5.30 -7.186358835e-03 -7.186358835e-03 5.32 -6.243868734e-03 -6.243868734e-03 5.34 -5.417354543e-03 -5.417354543e-03 5.36 -4.694619151e-03 -4.694619151e-03 5.38 -4.064217171e-03 -4.064217171e-03 5.40 -3.515552167e-03 -3.515552167e-03 5.42 -3.038924858e-03 -3.038924858e-03 5.44 -2.625542849e-03 -2.625542849e-03 5.46 -2.267501567e-03 -2.267501567e-03 5.48 -1.957744777e-03 -1.957744777e-03 5.50 -1.690011620e-03 -1.690011620e-03 5.52 -1.458775730e-03 -1.458775730e-03 5.54 -1.259180685e-03 -1.259180685e-03 5.56 -1.086974948e-03 -1.086974948e-03 5.58 -9.384485423e-04 -9.384485423e-04 5.60 -8.103729408e-04 -8.103729408e-04 5.62 -6.999451068e-04 -6.999451068e-04 5.64 -6.047361701e-04 -6.047361701e-04 5.66 -5.226449172e-04 -5.226449172e-04 5.68 -4.518560506e-04 -4.518560506e-04 5.70 -3.908030249e-04 -3.908030249e-04 5.72 -3.381351735e-04 -3.381351735e-04 5.74 -2.926887890e-04 -2.926887890e-04 5.76 -2.534617956e-04 -2.534617956e-04 5.78 -2.195916528e-04 -2.195916528e-04 5.80 -1.903361369e-04 -1.903361369e-04 5.82 -1.650566722e-04 -1.650566722e-04 5.84 -1.432039022e-04 -1.432039022e-04 5.86 -1.243052258e-04 -1.243052258e-04 5.88 -1.079540442e-04 -1.079540442e-04 5.90 -9.380049769e-05 -9.380049769e-05 5.92 -8.154349115e-05 -8.154349115e-05 5.94 -7.092383718e-05 -7.092383718e-05 5.96 -6.171836183e-05 -6.171836183e-05 5.98 -5.373484113e-05 -5.373484113e-05 6.00 -4.680765264e-05 -4.680765264e-05