# 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 = CuFe2Zr # 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 2.019122021e+02 2.019122021e+02 1.30 1.851143636e+02 1.851143636e+02 1.32 1.696715006e+02 1.696715006e+02 1.34 1.554626140e+02 1.554626140e+02 1.36 1.423800139e+02 1.423800139e+02 1.38 1.303290182e+02 1.303290182e+02 1.40 1.192264296e+02 1.192264296e+02 1.42 1.089981856e+02 1.089981856e+02 1.44 9.957725614e+01 9.957725614e+01 1.46 9.090250106e+01 9.090250106e+01 1.48 8.291814989e+01 8.291814989e+01 1.50 7.557306843e+01 7.557306843e+01 1.52 6.881969742e+01 6.881969742e+01 1.54 6.261305184e+01 6.261305184e+01 1.56 5.691026903e+01 5.691026903e+01 1.58 5.167080575e+01 5.167080575e+01 1.60 4.685689185e+01 4.685689185e+01 1.62 4.243379150e+01 4.243379150e+01 1.64 3.836972350e+01 3.836972350e+01 1.66 3.463555163e+01 3.463555163e+01 1.68 3.120442273e+01 3.120442273e+01 1.70 2.805154349e+01 2.805154349e+01 1.72 2.515405374e+01 2.515405374e+01 1.74 2.249146151e+01 2.249146151e+01 1.76 2.004440808e+01 2.004440808e+01 1.78 1.779489510e+01 1.779489510e+01 1.80 1.572670943e+01 1.572670943e+01 1.82 1.382533940e+01 1.382533940e+01 1.84 1.207764726e+01 1.207764726e+01 1.86 1.047166352e+01 1.047166352e+01 1.88 8.996469415e+00 8.996469415e+00 1.90 7.642134608e+00 7.642134608e+00 1.92 6.399613579e+00 6.399613579e+00 1.94 5.260593643e+00 5.260593643e+00 1.96 4.217309422e+00 4.217309422e+00 1.98 3.262437951e+00 3.262437951e+00 2.00 2.389065822e+00 2.389065822e+00 2.02 1.590698890e+00 1.590698890e+00 2.04 8.612909014e-01 8.612909014e-01 2.06 1.952665348e-01 1.952665348e-01 2.08 -4.124809790e-01 -4.124809790e-01 2.10 -9.666038359e-01 -9.666038359e-01 2.12 -1.471323313e+00 -1.471323313e+00 2.14 -1.930459096e+00 -1.930459096e+00 2.16 -2.347451894e+00 -2.347451894e+00 2.18 -2.725409583e+00 -2.725409583e+00 2.20 -3.067164906e+00 -3.067164906e+00 2.22 -3.375353671e+00 -3.375353671e+00 2.24 -3.652472131e+00 -3.652472131e+00 2.26 -3.900903867e+00 -3.900903867e+00 2.28 -4.122931098e+00 -4.122931098e+00 2.30 -4.320699328e+00 -4.320699328e+00 2.32 -4.496224880e+00 -4.496224880e+00 2.34 -4.651354239e+00 -4.651354239e+00 2.36 -4.787771235e+00 -4.787771235e+00 2.38 -4.906993354e+00 -4.906993354e+00 2.40 -5.010413830e+00 -5.010413830e+00 2.42 -5.099325161e+00 -5.099325161e+00 2.44 -5.174785552e+00 -5.174785552e+00 2.46 -5.237809934e+00 -5.237809934e+00 2.48 -5.289390048e+00 -5.289390048e+00 2.50 -5.330490103e+00 -5.330490103e+00 2.52 -5.362034026e+00 -5.362034026e+00 2.54 -5.384874702e+00 -5.384874702e+00 2.56 -5.399636356e+00 -5.399636356e+00 2.58 -5.406816779e+00 -5.406816779e+00 2.60 -5.406898924e+00 -5.406898924e+00 2.62 -5.400347555e+00 -5.400347555e+00 2.64 -5.387620036e+00 -5.387620036e+00 2.66 -5.369155030e+00 -5.369155030e+00 2.68 -5.345384280e+00 -5.345384280e+00 2.70 -5.316727739e+00 -5.316727739e+00 2.72 -5.283587943e+00 -5.283587943e+00 2.74 -5.246391945e+00 -5.246391945e+00 2.76 -5.205681042e+00 -5.205681042e+00 2.78 -5.161537443e+00 -5.161537443e+00 2.80 -5.113994300e+00 -5.113994300e+00 2.82 -5.063087732e+00 -5.063087732e+00 2.84 -5.008847909e+00 -5.008847909e+00 2.86 -4.951313080e+00 -4.951313080e+00 2.88 -4.890538423e+00 -4.890538423e+00 2.90 -4.826605211e+00 -4.826605211e+00 2.92 -4.759644855e+00 -4.759644855e+00 2.94 -4.689819777e+00 -4.689819777e+00 2.96 -4.617311299e+00 -4.617311299e+00 2.98 -4.542265055e+00 -4.542265055e+00 3.00 -4.464687433e+00 -4.464687433e+00 3.02 -4.384610957e+00 -4.384610957e+00 3.04 -4.302117390e+00 -4.302117390e+00 3.06 -4.217333048e+00 -4.217333048e+00 3.08 -4.130402664e+00 -4.130402664e+00 3.10 -4.041494931e+00 -4.041494931e+00 3.12 -3.950795758e+00 -3.950795758e+00 3.14 -3.858518241e+00 -3.858518241e+00 3.16 -3.764892562e+00 -3.764892562e+00 3.18 -3.670179634e+00 -3.670179634e+00 3.20 -3.574671963e+00 -3.574671963e+00 3.22 -3.478695641e+00 -3.478695641e+00 3.24 -3.382610079e+00 -3.382610079e+00 3.26 -3.286804593e+00 -3.286804593e+00 3.28 -3.191690954e+00 -3.191690954e+00 3.30 -3.097691261e+00 -3.097691261e+00 3.32 -3.005221331e+00 -3.005221331e+00 3.34 -2.914671067e+00 -2.914671067e+00 3.36 -2.826384480e+00 -2.826384480e+00 3.38 -2.740642599e+00 -2.740642599e+00 3.40 -2.657650775e+00 -2.657650775e+00 3.42 -2.577539844e+00 -2.577539844e+00 3.44 -2.500360290e+00 -2.500360290e+00 3.46 -2.426096720e+00 -2.426096720e+00 3.48 -2.354678014e+00 -2.354678014e+00 3.50 -2.285990482e+00 -2.285990482e+00 3.52 -2.219890681e+00 -2.219890681e+00 3.54 -2.156216831e+00 -2.156216831e+00 3.56 -2.094798291e+00 -2.094798291e+00 3.58 -2.035462995e+00 -2.035462995e+00 3.60 -1.978043029e+00 -1.978043029e+00 3.62 -1.922378665e+00 -1.922378665e+00 3.64 -1.868321241e+00 -1.868321241e+00 3.66 -1.815735249e+00 -1.815735249e+00 3.68 -1.764499959e+00 -1.764499959e+00 3.70 -1.714510809e+00 -1.714510809e+00 3.72 -1.665680709e+00 -1.665680709e+00 3.74 -1.617941252e+00 -1.617941252e+00 3.76 -1.571243733e+00 -1.571243733e+00 3.78 -1.525559708e+00 -1.525559708e+00 3.80 -1.480880770e+00 -1.480880770e+00 3.82 -1.437217161e+00 -1.437217161e+00 3.84 -1.394594951e+00 -1.394594951e+00 3.86 -1.353051681e+00 -1.353051681e+00 3.88 -1.312630702e+00 -1.312630702e+00 3.90 -1.273374751e+00 -1.273374751e+00 3.92 -1.235318162e+00 -1.235318162e+00 3.94 -1.198487480e+00 -1.198487480e+00 3.96 -1.162888274e+00 -1.162888274e+00 3.98 -1.128510309e+00 -1.128510309e+00 4.00 -1.095326295e+00 -1.095326295e+00 4.02 -1.063294144e+00 -1.063294144e+00 4.04 -1.032360279e+00 -1.032360279e+00 4.06 -1.002463371e+00 -1.002463371e+00 4.08 -9.735379146e-01 -9.735379146e-01 4.10 -9.455126497e-01 -9.455126497e-01 4.12 -9.183324153e-01 -9.183324153e-01 4.14 -8.919290215e-01 -8.919290215e-01 4.16 -8.662448726e-01 -8.662448726e-01 4.18 -8.412270943e-01 -8.412270943e-01 4.20 -8.168279999e-01 -8.168279999e-01 4.22 -7.930054061e-01 -7.930054061e-01 4.24 -7.697228329e-01 -7.697228329e-01 4.26 -7.469496659e-01 -7.469496659e-01 4.28 -7.246613173e-01 -7.246613173e-01 4.30 -7.028393783e-01 -7.028393783e-01 4.32 -6.814717267e-01 -6.814717267e-01 4.34 -6.605525267e-01 -6.605525267e-01 4.36 -6.400820475e-01 -6.400820475e-01 4.38 -6.200662294e-01 -6.200662294e-01 4.40 -6.005159449e-01 -6.005159449e-01 4.42 -5.814459373e-01 -5.814459373e-01 4.44 -5.628734676e-01 -5.628734676e-01 4.46 -5.448167533e-01 -5.448167533e-01 4.48 -5.272933222e-01 -5.272933222e-01 4.50 -5.103184353e-01 -5.103184353e-01 4.52 -4.939037296e-01 -4.939037296e-01 4.54 -4.780562038e-01 -4.780562038e-01 4.56 -4.627776245e-01 -4.627776245e-01 4.58 -4.480643708e-01 -4.480643708e-01 4.60 -4.339076783e-01 -4.339076783e-01 4.62 -4.202942039e-01 -4.202942039e-01 4.64 -4.072068079e-01 -4.072068079e-01 4.66 -3.946254455e-01 -3.946254455e-01 4.68 -3.825280730e-01 -3.825280730e-01 4.70 -3.708914940e-01 -3.708914940e-01 4.72 -3.596920959e-01 -3.596920959e-01 4.74 -3.489064520e-01 -3.489064520e-01 4.76 -3.385117822e-01 -3.385117822e-01 4.78 -3.284862807e-01 -3.284862807e-01 4.80 -3.188061490e-01 -3.188061490e-01 4.82 -3.094589572e-01 -3.094589572e-01 4.84 -3.004229028e-01 -3.004229028e-01 4.86 -2.916813279e-01 -2.916813279e-01 4.88 -2.832188285e-01 -2.832188285e-01 4.90 -2.750211710e-01 -2.750211710e-01 4.92 -2.670751941e-01 -2.670751941e-01 4.94 -2.593687052e-01 -2.593687052e-01 4.96 -2.518903758e-01 -2.518903758e-01 4.98 -2.446296406e-01 -2.446296406e-01 5.00 -2.375766046e-01 -2.375766046e-01 5.02 -2.307219570e-01 -2.307219570e-01 5.04 -2.240568965e-01 -2.240568965e-01 5.06 -2.175730659e-01 -2.175730659e-01 5.08 -2.112624979e-01 -2.112624979e-01 5.10 -2.051175729e-01 -2.051175729e-01 5.12 -1.991309884e-01 -1.991309884e-01 5.14 -1.932957405e-01 -1.932957405e-01 5.16 -1.876051193e-01 -1.876051193e-01 5.18 -1.820527179e-01 -1.820527179e-01 5.20 -1.766324547e-01 -1.766324547e-01 5.22 -1.713386118e-01 -1.713386118e-01 5.24 -1.661658858e-01 -1.661658858e-01 5.26 -1.611094518e-01 -1.611094518e-01 5.28 -1.561650380e-01 -1.561650380e-01 5.30 -1.513290051e-01 -1.513290051e-01 5.32 -1.465984264e-01 -1.465984264e-01 5.34 -1.419711592e-01 -1.419711592e-01 5.36 -1.374458993e-01 -1.374458993e-01 5.38 -1.330222059e-01 -1.330222059e-01 5.40 -1.287004897e-01 -1.287004897e-01 5.42 -1.244819524e-01 -1.244819524e-01 5.44 -1.203684743e-01 -1.203684743e-01 5.46 -1.163624494e-01 -1.163624494e-01 5.48 -1.124665743e-01 -1.124665743e-01 5.50 -1.086836032e-01 -1.086836032e-01 5.52 -1.050160888e-01 -1.050160888e-01 5.54 -1.014661289e-01 -1.014661289e-01 5.56 -9.803514213e-02 -9.803514213e-02 5.58 -9.472369048e-02 -9.472369048e-02 5.60 -9.153128109e-02 -9.153128109e-02 5.62 -8.845643998e-02 -8.845643998e-02 5.64 -8.549680494e-02 -8.549680494e-02 5.66 -8.264904928e-02 -8.264904928e-02 5.68 -7.990900063e-02 -7.990900063e-02 5.70 -7.727178758e-02 -7.727178758e-02 5.72 -7.473199808e-02 -7.473199808e-02 5.74 -7.228383601e-02 -7.228383601e-02 5.76 -6.992126604e-02 -6.992126604e-02 5.78 -6.763813982e-02 -6.763813982e-02 5.80 -6.542830068e-02 -6.542830068e-02 5.82 -6.328566611e-02 -6.328566611e-02 5.84 -6.120428987e-02 -6.120428987e-02 5.86 -5.917840669e-02 -5.917840669e-02 5.88 -5.720246337e-02 -5.720246337e-02 5.90 -5.527114019e-02 -5.527114019e-02 5.92 -5.337936681e-02 -5.337936681e-02 5.94 -5.152233612e-02 -5.152233612e-02 5.96 -4.969551944e-02 -4.969551944e-02 5.98 -4.789468565e-02 -4.789468565e-02 6.00 -4.611592663e-02 -4.611592663e-02