# 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 = Ag2TiW # 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 3.411933240e+02 3.411933240e+02 1.30 3.158041979e+02 3.158041979e+02 1.32 2.923378307e+02 2.923378307e+02 1.34 2.706385611e+02 2.706385611e+02 1.36 2.505629250e+02 2.505629250e+02 1.38 2.319791922e+02 2.319791922e+02 1.40 2.147669773e+02 2.147669773e+02 1.42 1.988166294e+02 1.988166294e+02 1.44 1.840284761e+02 1.840284761e+02 1.46 1.703119438e+02 1.703119438e+02 1.48 1.575846542e+02 1.575846542e+02 1.50 1.457716875e+02 1.457716875e+02 1.52 1.348049645e+02 1.348049645e+02 1.54 1.246225724e+02 1.246225724e+02 1.56 1.151680397e+02 1.151680397e+02 1.58 1.063896265e+02 1.063896265e+02 1.60 9.823963320e+01 9.823963320e+01 1.62 9.067375557e+01 9.067375557e+01 1.64 8.365054157e+01 8.365054157e+01 1.66 7.713097673e+01 7.713097673e+01 1.68 7.107825418e+01 7.107825418e+01 1.70 6.545778612e+01 6.545778612e+01 1.72 6.023737850e+01 6.023737850e+01 1.74 5.538736059e+01 5.538736059e+01 1.76 5.088076080e+01 5.088076080e+01 1.78 4.669311501e+01 4.669311501e+01 1.80 4.280163869e+01 4.280163869e+01 1.82 3.918541713e+01 3.918541713e+01 1.84 3.582594442e+01 3.582594442e+01 1.86 3.270805583e+01 3.270805583e+01 1.88 2.981557458e+01 2.981557458e+01 1.90 2.713335803e+01 2.713335803e+01 1.92 2.464730542e+01 2.464730542e+01 1.94 2.234416921e+01 2.234416921e+01 1.96 2.021143131e+01 2.021143131e+01 1.98 1.823724822e+01 1.823724822e+01 2.00 1.641043510e+01 1.641043510e+01 2.02 1.472045046e+01 1.472045046e+01 2.04 1.315736256e+01 1.315736256e+01 2.06 1.171180376e+01 1.171180376e+01 2.08 1.037493097e+01 1.037493097e+01 2.10 9.138408536e+00 9.138408536e+00 2.12 7.994416845e+00 7.994416845e+00 2.14 6.935679542e+00 6.935679542e+00 2.16 5.955496848e+00 5.955496848e+00 2.18 5.047769822e+00 5.047769822e+00 2.20 4.207001596e+00 4.207001596e+00 2.22 3.428267742e+00 3.428267742e+00 2.24 2.707160148e+00 2.707160148e+00 2.26 2.039718077e+00 2.039718077e+00 2.28 1.422361117e+00 1.422361117e+00 2.30 8.518325384e-01 8.518325384e-01 2.32 3.251517360e-01 3.251517360e-01 2.34 -1.604095801e-01 -1.604095801e-01 2.36 -6.073155921e-01 -6.073155921e-01 2.38 -1.018023083e+00 -1.018023083e+00 2.40 -1.394853988e+00 -1.394853988e+00 2.42 -1.739991077e+00 -1.739991077e+00 2.44 -2.055499021e+00 -2.055499021e+00 2.46 -2.343338140e+00 -2.343338140e+00 2.48 -2.605372238e+00 -2.605372238e+00 2.50 -2.843347899e+00 -2.843347899e+00 2.52 -3.058713662e+00 -3.058713662e+00 2.54 -3.252768939e+00 -3.252768939e+00 2.56 -3.426787147e+00 -3.426787147e+00 2.58 -3.582008485e+00 -3.582008485e+00 2.60 -3.719634254e+00 -3.719634254e+00 2.62 -3.840820680e+00 -3.840820680e+00 2.64 -3.946708759e+00 -3.946708759e+00 2.66 -4.038349908e+00 -4.038349908e+00 2.68 -4.116634099e+00 -4.116634099e+00 2.70 -4.182389966e+00 -4.182389966e+00 2.72 -4.236384949e+00 -4.236384949e+00 2.74 -4.279330405e+00 -4.279330405e+00 2.76 -4.311890525e+00 -4.311890525e+00 2.78 -4.334665309e+00 -4.334665309e+00 2.80 -4.348077964e+00 -4.348077964e+00 2.82 -4.352503057e+00 -4.352503057e+00 2.84 -4.348330324e+00 -4.348330324e+00 2.86 -4.335966438e+00 -4.335966438e+00 2.88 -4.315838355e+00 -4.315838355e+00 2.90 -4.288397624e+00 -4.288397624e+00 2.92 -4.254124789e+00 -4.254124789e+00 2.94 -4.213532969e+00 -4.213532969e+00 2.96 -4.167169923e+00 -4.167169923e+00 2.98 -4.115617711e+00 -4.115617711e+00 3.00 -4.059488737e+00 -4.059488737e+00 3.02 -3.999416766e+00 -3.999416766e+00 3.04 -3.936041953e+00 -3.936041953e+00 3.06 -3.870033226e+00 -3.870033226e+00 3.08 -3.802166167e+00 -3.802166167e+00 3.10 -3.732788026e+00 -3.732788026e+00 3.12 -3.662148519e+00 -3.662148519e+00 3.14 -3.590451720e+00 -3.590451720e+00 3.16 -3.517848077e+00 -3.517848077e+00 3.18 -3.444434229e+00 -3.444434229e+00 3.20 -3.370258601e+00 -3.370258601e+00 3.22 -3.295335805e+00 -3.295335805e+00 3.24 -3.219673128e+00 -3.219673128e+00 3.26 -3.143265638e+00 -3.143265638e+00 3.28 -3.066103222e+00 -3.066103222e+00 3.30 -2.988182854e+00 -2.988182854e+00 3.32 -2.909519575e+00 -2.909519575e+00 3.34 -2.830155946e+00 -2.830155946e+00 3.36 -2.750169712e+00 -2.750169712e+00 3.38 -2.669679338e+00 -2.669679338e+00 3.40 -2.588847020e+00 -2.588847020e+00 3.42 -2.507878919e+00 -2.507878919e+00 3.44 -2.427022120e+00 -2.427022120e+00 3.46 -2.346558626e+00 -2.346558626e+00 3.48 -2.266796320e+00 -2.266796320e+00 3.50 -2.188057512e+00 -2.188057512e+00 3.52 -2.110665768e+00 -2.110665768e+00 3.54 -2.034931987e+00 -2.034931987e+00 3.56 -1.961140829e+00 -1.961140829e+00 3.58 -1.889538662e+00 -1.889538662e+00 3.60 -1.820324181e+00 -1.820324181e+00 3.62 -1.753642557e+00 -1.753642557e+00 3.64 -1.689583591e+00 -1.689583591e+00 3.66 -1.628183753e+00 -1.628183753e+00 3.68 -1.569431464e+00 -1.569431464e+00 3.70 -1.513274611e+00 -1.513274611e+00 3.72 -1.459629162e+00 -1.459629162e+00 3.74 -1.408387867e+00 -1.408387867e+00 3.76 -1.359428302e+00 -1.359428302e+00 3.78 -1.312619784e+00 -1.312619784e+00 3.80 -1.267828992e+00 -1.267828992e+00 3.82 -1.224924274e+00 -1.224924274e+00 3.84 -1.183778766e+00 -1.183778766e+00 3.86 -1.144272491e+00 -1.144272491e+00 3.88 -1.106293618e+00 -1.106293618e+00 3.90 -1.069739057e+00 -1.069739057e+00 3.92 -1.034514528e+00 -1.034514528e+00 3.94 -1.000534412e+00 -1.000534412e+00 3.96 -9.677210382e-01 -9.677210382e-01 3.98 -9.360041564e-01 -9.360041564e-01 4.00 -9.053201739e-01 -9.053201739e-01 4.02 -8.756114284e-01 -8.756114284e-01 4.04 -8.468255147e-01 -8.468255147e-01 4.06 -8.189147038e-01 -8.189147038e-01 4.08 -7.918354774e-01 -7.918354774e-01 4.10 -7.655481271e-01 -7.655481271e-01 4.12 -7.400168290e-01 -7.400168290e-01 4.14 -7.152091263e-01 -7.152091263e-01 4.16 -6.910962602e-01 -6.910962602e-01 4.18 -6.676531825e-01 -6.676531825e-01 4.20 -6.448586753e-01 -6.448586753e-01 4.22 -6.226954426e-01 -6.226954426e-01 4.24 -6.011501138e-01 -6.011501138e-01 4.26 -5.802130957e-01 -5.802130957e-01 4.28 -5.598782252e-01 -5.598782252e-01 4.30 -5.401421901e-01 -5.401421901e-01 4.32 -5.210037214e-01 -5.210037214e-01 4.34 -5.024625956e-01 -5.024625956e-01 4.36 -4.845185228e-01 -4.845185228e-01 4.38 -4.671700243e-01 -4.671700243e-01 4.40 -4.504134129e-01 -4.504134129e-01 4.42 -4.342419791e-01 -4.342419791e-01 4.44 -4.186454576e-01 -4.186454576e-01 4.46 -4.036098071e-01 -4.036098071e-01 4.48 -3.891172914e-01 -3.891172914e-01 4.50 -3.751468159e-01 -3.751468159e-01 4.52 -3.616744481e-01 -3.616744481e-01 4.54 -3.486740434e-01 -3.486740434e-01 4.56 -3.361179051e-01 -3.361179051e-01 4.58 -3.239774199e-01 -3.239774199e-01 4.60 -3.122236336e-01 -3.122236336e-01 4.62 -3.008277473e-01 -3.008277473e-01 4.64 -2.897615346e-01 -2.897615346e-01 4.66 -2.789976895e-01 -2.789976895e-01 4.68 -2.685101237e-01 -2.685101237e-01 4.70 -2.582742349e-01 -2.582742349e-01 4.72 -2.482671671e-01 -2.482671671e-01 4.74 -2.384680808e-01 -2.384680808e-01 4.76 -2.288584472e-01 -2.288584472e-01 4.78 -2.194223713e-01 -2.194223713e-01 4.80 -2.101469001e-01 -2.101469001e-01 4.82 -2.010225660e-01 -2.010225660e-01 4.84 -1.920434696e-01 -1.920434696e-01 4.86 -1.832077947e-01 -1.832077947e-01 4.88 -1.745179992e-01 -1.745179992e-01 4.90 -1.659809286e-01 -1.659809286e-01 4.92 -1.576077539e-01 -1.576077539e-01 4.94 -1.494136898e-01 -1.494136898e-01 4.96 -1.414174633e-01 -1.414174633e-01 4.98 -1.336405265e-01 -1.336405265e-01 5.00 -1.261060325e-01 -1.261060325e-01 5.02 -1.188376311e-01 -1.188376311e-01 5.04 -1.118581632e-01 -1.118581632e-01 5.06 -1.051883610e-01 -1.051883610e-01 5.08 -9.884566484e-02 -9.884566484e-02 5.10 -9.284325855e-02 -9.284325855e-02 5.12 -8.718940282e-02 -8.718940282e-02 5.14 -8.188711023e-02 -8.188711023e-02 5.16 -7.693416280e-02 -7.693416280e-02 5.18 -7.232343604e-02 -7.232343604e-02 5.20 -6.804338002e-02 -6.804338002e-02 5.22 -6.407879472e-02 -6.407879472e-02 5.24 -6.041198084e-02 -6.041198084e-02 5.26 -5.702310708e-02 -5.702310708e-02 5.28 -5.389117608e-02 -5.389117608e-02 5.30 -5.099489866e-02 -5.099489866e-02 5.32 -4.831298311e-02 -4.831298311e-02 5.34 -4.582462562e-02 -4.582462562e-02 5.36 -4.350987583e-02 -4.350987583e-02 5.38 -4.134988868e-02 -4.134988868e-02 5.40 -3.932708147e-02 -3.932708147e-02 5.42 -3.742521613e-02 -3.742521613e-02 5.44 -3.562942605e-02 -3.562942605e-02 5.46 -3.392620465e-02 -3.392620465e-02 5.48 -3.230337058e-02 -3.230337058e-02 5.50 -3.075002143e-02 -3.075002143e-02 5.52 -2.925648522e-02 -2.925648522e-02 5.54 -2.781427655e-02 -2.781427655e-02 5.56 -2.641606054e-02 -2.641606054e-02 5.58 -2.505562780e-02 -2.505562780e-02 5.60 -2.372787926e-02 -2.372787926e-02 5.62 -2.242881826e-02 -2.242881826e-02 5.64 -2.115554551e-02 -2.115554551e-02 5.66 -1.990625060e-02 -1.990625060e-02 5.68 -1.868019264e-02 -1.868019264e-02 5.70 -1.747766192e-02 -1.747766192e-02 5.72 -1.629991500e-02 -1.629991500e-02 5.74 -1.514907708e-02 -1.514907708e-02 5.76 -1.402800519e-02 -1.402800519e-02 5.78 -1.293995304e-02 -1.293995304e-02 5.80 -1.188867841e-02 -1.188867841e-02 5.82 -1.087820102e-02 -1.087820102e-02 5.84 -9.912446205e-03 -9.912446205e-03 5.86 -8.995022094e-03 -8.995022094e-03 5.88 -8.129021231e-03 -8.129021231e-03 5.90 -7.316860619e-03 -7.316860619e-03 5.92 -6.560170457e-03 -6.560170457e-03 5.94 -5.859736585e-03 -5.859736585e-03 5.96 -5.215496197e-03 -5.215496197e-03 5.98 -4.626581395e-03 -4.626581395e-03 6.00 -4.091401433e-03 -4.091401433e-03