# 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 = Fe2PtW # 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 3.230056223e+02 3.230056223e+02 1.30 2.976378364e+02 2.976378364e+02 1.32 2.741581440e+02 2.741581440e+02 1.34 2.524478562e+02 2.524478562e+02 1.36 2.324026575e+02 2.324026575e+02 1.38 2.139164428e+02 2.139164428e+02 1.40 1.968731606e+02 1.968731606e+02 1.42 1.811495930e+02 1.811495930e+02 1.44 1.666245022e+02 1.666245022e+02 1.46 1.531876249e+02 1.531876249e+02 1.48 1.407441480e+02 1.407441480e+02 1.50 1.292138007e+02 1.292138007e+02 1.52 1.185266307e+02 1.185266307e+02 1.54 1.086185293e+02 1.086185293e+02 1.56 9.942855034e+01 9.942855034e+01 1.58 9.089823089e+01 9.089823089e+01 1.60 8.297205042e+01 8.297205042e+01 1.62 7.559833523e+01 7.559833523e+01 1.64 6.873043868e+01 6.873043868e+01 1.66 6.232807710e+01 6.232807710e+01 1.68 5.635835319e+01 5.635835319e+01 1.70 5.079579811e+01 5.079579811e+01 1.72 4.562097088e+01 4.562097088e+01 1.74 4.081795293e+01 4.081795293e+01 1.76 3.637123483e+01 3.637123483e+01 1.78 3.226734068e+01 3.226734068e+01 1.80 2.854329789e+01 2.854329789e+01 1.82 2.517929124e+01 2.517929124e+01 1.84 2.213700671e+01 2.213700671e+01 1.86 1.938164028e+01 1.938164028e+01 1.88 1.688250678e+01 1.688250678e+01 1.90 1.461297272e+01 1.461297272e+01 1.92 1.255003932e+01 1.255003932e+01 1.94 1.067382007e+01 1.067382007e+01 1.96 8.967033528e+00 8.967033528e+00 1.98 7.414547254e+00 7.414547254e+00 2.00 6.002975091e+00 6.002975091e+00 2.02 4.720330522e+00 4.720330522e+00 2.04 3.555748102e+00 3.555748102e+00 2.06 2.499279122e+00 2.499279122e+00 2.08 1.541750044e+00 1.541750044e+00 2.10 6.746640811e-01 6.746640811e-01 2.12 -1.098651105e-01 -1.098651105e-01 2.14 -8.191462658e-01 -8.191462658e-01 2.16 -1.459908627e+00 -1.459908627e+00 2.18 -2.038277466e+00 -2.038277466e+00 2.20 -2.559751635e+00 -2.559751635e+00 2.22 -3.029206359e+00 -3.029206359e+00 2.24 -3.450930646e+00 -3.450930646e+00 2.26 -3.828693427e+00 -3.828693427e+00 2.28 -4.165824794e+00 -4.165824794e+00 2.30 -4.465222554e+00 -4.465222554e+00 2.32 -4.729585700e+00 -4.729585700e+00 2.34 -4.961523232e+00 -4.961523232e+00 2.36 -5.163455091e+00 -5.163455091e+00 2.38 -5.337663807e+00 -5.337663807e+00 2.40 -5.486331011e+00 -5.486331011e+00 2.42 -5.611558743e+00 -5.611558743e+00 2.44 -5.715308426e+00 -5.715308426e+00 2.46 -5.799193178e+00 -5.799193178e+00 2.48 -5.865715049e+00 -5.865715049e+00 2.50 -5.917214336e+00 -5.917214336e+00 2.52 -5.954757299e+00 -5.954757299e+00 2.54 -5.979450912e+00 -5.979450912e+00 2.56 -5.992388272e+00 -5.992388272e+00 2.58 -5.994591056e+00 -5.994591056e+00 2.60 -5.986962032e+00 -5.986962032e+00 2.62 -5.970257717e+00 -5.970257717e+00 2.64 -5.945084892e+00 -5.945084892e+00 2.66 -5.911916704e+00 -5.911916704e+00 2.68 -5.871119412e+00 -5.871119412e+00 2.70 -5.822980850e+00 -5.822980850e+00 2.72 -5.767734874e+00 -5.767734874e+00 2.74 -5.705579819e+00 -5.705579819e+00 2.76 -5.636691701e+00 -5.636691701e+00 2.78 -5.561234254e+00 -5.561234254e+00 2.80 -5.479368169e+00 -5.479368169e+00 2.82 -5.391266306e+00 -5.391266306e+00 2.84 -5.297119114e+00 -5.297119114e+00 2.86 -5.197144597e+00 -5.197144597e+00 2.88 -5.091621840e+00 -5.091621840e+00 2.90 -4.980911304e+00 -4.980911304e+00 2.92 -4.865472561e+00 -4.865472561e+00 2.94 -4.745874753e+00 -4.745874753e+00 2.96 -4.622794542e+00 -4.622794542e+00 2.98 -4.496973709e+00 -4.496973709e+00 3.00 -4.369031605e+00 -4.369031605e+00 3.02 -4.239560456e+00 -4.239560456e+00 3.04 -4.109443560e+00 -4.109443560e+00 3.06 -3.980110733e+00 -3.980110733e+00 3.08 -3.852677709e+00 -3.852677709e+00 3.10 -3.727835904e+00 -3.727835904e+00 3.12 -3.605925398e+00 -3.605925398e+00 3.14 -3.487024480e+00 -3.487024480e+00 3.16 -3.371038823e+00 -3.371038823e+00 3.18 -3.257778892e+00 -3.257778892e+00 3.20 -3.147019988e+00 -3.147019988e+00 3.22 -3.038543942e+00 -3.038543942e+00 3.24 -2.932164373e+00 -2.932164373e+00 3.26 -2.827738924e+00 -2.827738924e+00 3.28 -2.725172287e+00 -2.725172287e+00 3.30 -2.624413717e+00 -2.624413717e+00 3.32 -2.525452093e+00 -2.525452093e+00 3.34 -2.428310792e+00 -2.428310792e+00 3.36 -2.333043662e+00 -2.333043662e+00 3.38 -2.239732407e+00 -2.239732407e+00 3.40 -2.148484945e+00 -2.148484945e+00 3.42 -2.059433738e+00 -2.059433738e+00 3.44 -1.972732994e+00 -1.972732994e+00 3.46 -1.888553830e+00 -1.888553830e+00 3.48 -1.807077004e+00 -1.807077004e+00 3.50 -1.728483417e+00 -1.728483417e+00 3.52 -1.652943194e+00 -1.652943194e+00 3.54 -1.580604519e+00 -1.580604519e+00 3.56 -1.511583542e+00 -1.511583542e+00 3.58 -1.445956512e+00 -1.445956512e+00 3.60 -1.383754936e+00 -1.383754936e+00 3.62 -1.324964060e+00 -1.324964060e+00 3.64 -1.269524527e+00 -1.269524527e+00 3.66 -1.217336678e+00 -1.217336678e+00 3.68 -1.168266721e+00 -1.168266721e+00 3.70 -1.122153999e+00 -1.122153999e+00 3.72 -1.078818491e+00 -1.078818491e+00 3.74 -1.038068043e+00 -1.038068043e+00 3.76 -9.997056031e-01 -9.997056031e-01 3.78 -9.635323766e-01 -9.635323766e-01 3.80 -9.293533674e-01 -9.293533674e-01 3.82 -8.969810737e-01 -8.969810737e-01 3.84 -8.662374704e-01 -8.662374704e-01 3.86 -8.369552770e-01 -8.369552770e-01 3.88 -8.089786482e-01 -8.089786482e-01 3.90 -7.821634457e-01 -7.821634457e-01 3.92 -7.563772478e-01 -7.563772478e-01 3.94 -7.314992547e-01 -7.314992547e-01 3.96 -7.074201899e-01 -7.074201899e-01 3.98 -6.840423333e-01 -6.840423333e-01 4.00 -6.612797270e-01 -6.612797270e-01 4.02 -6.390585954e-01 -6.390585954e-01 4.04 -6.173179610e-01 -6.173179610e-01 4.06 -5.960103841e-01 -5.960103841e-01 4.08 -5.751026996e-01 -5.751026996e-01 4.10 -5.545765640e-01 -5.545765640e-01 4.12 -5.344286121e-01 -5.344286121e-01 4.14 -5.146699360e-01 -5.146699360e-01 4.16 -4.953247697e-01 -4.953247697e-01 4.18 -4.764282095e-01 -4.764282095e-01 4.20 -4.580230225e-01 -4.580230225e-01 4.22 -4.401557247e-01 -4.401557247e-01 4.24 -4.228722685e-01 -4.228722685e-01 4.26 -4.062137768e-01 -4.062137768e-01 4.28 -3.902127861e-01 -3.902127861e-01 4.30 -3.748903887e-01 -3.748903887e-01 4.32 -3.602545206e-01 -3.602545206e-01 4.34 -3.462994607e-01 -3.462994607e-01 4.36 -3.330064337e-01 -3.330064337e-01 4.38 -3.203450778e-01 -3.203450778e-01 4.40 -3.082754773e-01 -3.082754773e-01 4.42 -2.967504538e-01 -2.967504538e-01 4.44 -2.857178601e-01 -2.857178601e-01 4.46 -2.751226907e-01 -2.751226907e-01 4.48 -2.649089028e-01 -2.649089028e-01 4.50 -2.550209164e-01 -2.550209164e-01 4.52 -2.454047579e-01 -2.454047579e-01 4.54 -2.360088533e-01 -2.360088533e-01 4.56 -2.267854087e-01 -2.267854087e-01 4.58 -2.176905555e-01 -2.176905555e-01 4.60 -2.086849072e-01 -2.086849072e-01 4.62 -1.997342037e-01 -1.997342037e-01 4.64 -1.908099701e-01 -1.908099701e-01 4.66 -1.818902056e-01 -1.818902056e-01 4.68 -1.729600902e-01 -1.729600902e-01 4.70 -1.640126668e-01 -1.640126668e-01 4.72 -1.550494294e-01 -1.550494294e-01 4.74 -1.460807277e-01 -1.460807277e-01 4.76 -1.371258879e-01 -1.371258879e-01 4.78 -1.282129475e-01 -1.282129475e-01 4.80 -1.193779270e-01 -1.193779270e-01 4.82 -1.106635973e-01 -1.106635973e-01 4.84 -1.021177504e-01 -1.021177504e-01 4.86 -9.379105649e-02 -9.379105649e-02 4.88 -8.573464141e-02 -8.573464141e-02 4.90 -7.799757176e-02 -7.799757176e-02 4.92 -7.062446028e-02 -7.062446028e-02 4.94 -6.365339511e-02 -6.365339511e-02 4.96 -5.711436039e-02 -5.711436039e-02 4.98 -5.102825432e-02 -5.102825432e-02 5.00 -4.540653831e-02 -4.540653831e-02 5.02 -4.025147984e-02 -4.025147984e-02 5.04 -3.555689518e-02 -3.555689518e-02 5.06 -3.130926205e-02 -3.130926205e-02 5.08 -2.748905744e-02 -2.748905744e-02 5.10 -2.407217968e-02 -2.407217968e-02 5.12 -2.103135404e-02 -2.103135404e-02 5.14 -1.833741990e-02 -1.833741990e-02 5.16 -1.596033652e-02 -1.596033652e-02 5.18 -1.386965167e-02 -1.386965167e-02 5.20 -1.203690145e-02 -1.203690145e-02 5.22 -1.043497638e-02 -1.043497638e-02 5.24 -9.038310134e-03 -9.038310134e-03 5.26 -7.823183173e-03 -7.823183173e-03 5.28 -6.767879014e-03 -6.767879014e-03 5.30 -5.852729677e-03 -5.852729677e-03 5.32 -5.060081338e-03 -5.060081338e-03 5.34 -4.374205561e-03 -4.374205561e-03 5.36 -3.781175980e-03 -3.781175980e-03 5.38 -3.268725599e-03 -3.268725599e-03 5.40 -2.826095820e-03 -2.826095820e-03 5.42 -2.443885102e-03 -2.443885102e-03 5.44 -2.113902597e-03 -2.113902597e-03 5.46 -1.829030168e-03 -1.829030168e-03 5.48 -1.583094774e-03 -1.583094774e-03 5.50 -1.370752143e-03 -1.370752143e-03 5.52 -1.187381958e-03 -1.187381958e-03 5.54 -1.028994271e-03 -1.028994271e-03 5.56 -8.921465632e-04 -8.921465632e-04 5.58 -7.738706742e-04 -7.738706742e-04 5.60 -6.716087533e-04 -6.716087533e-04 5.62 -5.831573385e-04 -5.831573385e-04 5.64 -5.066186986e-04 -5.066186986e-04 5.66 -4.403586104e-04 -4.403586104e-04 5.68 -3.829698026e-04 -3.829698026e-04 5.70 -3.332403651e-04 -3.332403651e-04 5.72 -2.901264898e-04 -2.901264898e-04 5.74 -2.527289777e-04 -2.527289777e-04 5.76 -2.202730117e-04 -2.202730117e-04 5.78 -1.920907532e-04 -1.920907532e-04 5.80 -1.676063785e-04 -1.676063785e-04 5.82 -1.463232169e-04 -1.463232169e-04 5.84 -1.278126988e-04 -1.278126988e-04 5.86 -1.117048605e-04 -1.117048605e-04 5.88 -9.768018780e-05 -9.768018780e-05 5.90 -8.546260772e-05 -8.546260772e-05 5.92 -7.481346802e-05 -7.481346802e-05 5.94 -6.552636307e-05 -6.552636307e-05 5.96 -5.742268683e-05 -5.742268683e-05 5.98 -5.034780950e-05 -5.034780950e-05 6.00 -4.416778939e-05 -4.416778939e-05